USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 538 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 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -3.29! C(o=-3.3!,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -122:sc= 0.194 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 8:sc= 0.42 USER MOD Single : A 34 CYS SG : rot 116:sc= -2.69 USER MOD Single : A 36 GLN : amide:sc=-0.00449 K(o=-0.0045,f=-0.98) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -1.54 (180deg=-2.17) USER MOD Single : A 43 THR OG1 : rot -97:sc= -5.8! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.764 (180deg=-1.36) USER MOD Single : A 50 CYS SG : rot 177:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.094) USER MOD Single : A 55 LYS NZ :NH3+ 152:sc= -4.28! (180deg=-8.12!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -152:sc= 1.52 USER MOD Single : A 62 MET CE :methyl -161:sc= -0.845 (180deg=-1.11) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= -0.148 (180deg=-0.767) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ -105:sc= -2.38! (180deg=-5.01!) USER MOD Single : A 69 SER OG : rot -26:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.930 -1.392 6.420 1.00 0.00 N ATOM 144 CA ASN A 12 -8.568 -0.301 5.676 1.00 0.00 C ATOM 145 C ASN A 12 -7.513 0.631 5.088 1.00 0.00 C ATOM 146 O ASN A 12 -6.519 0.177 4.525 1.00 0.00 O ATOM 147 CB ASN A 12 -9.495 0.487 6.605 1.00 0.00 C ATOM 148 CG ASN A 12 -10.299 -0.472 7.476 1.00 0.00 C ATOM 149 OD1 ASN A 12 -11.300 -1.028 7.027 1.00 0.00 O ATOM 150 ND2 ASN A 12 -9.918 -0.698 8.704 1.00 0.00 N ATOM 0 HA ASN A 12 -9.151 -0.728 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.909 1.158 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.169 1.109 6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.451 -1.337 9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.087 -0.235 9.074 1.00 0.00 H new ATOM 157 N LEU A 13 -7.737 1.938 5.216 1.00 0.00 N ATOM 158 CA LEU A 13 -6.795 2.926 4.688 1.00 0.00 C ATOM 159 C LEU A 13 -5.774 3.310 5.753 1.00 0.00 C ATOM 160 O LEU A 13 -6.034 3.190 6.950 1.00 0.00 O ATOM 161 CB LEU A 13 -7.554 4.174 4.220 1.00 0.00 C ATOM 162 CG LEU A 13 -8.868 3.749 3.562 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.576 4.971 2.967 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.579 2.733 2.450 1.00 0.00 C ATOM 0 H LEU A 13 -8.555 2.336 5.677 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.268 2.487 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.754 4.831 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.946 4.740 3.514 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.513 3.294 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.510 4.659 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.788 5.690 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.934 5.435 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.515 2.430 1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.929 3.187 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.087 1.858 2.875 1.00 0.00 H new ATOM 176 N ALA A 14 -4.610 3.768 5.308 1.00 0.00 N ATOM 177 CA ALA A 14 -3.556 4.164 6.232 1.00 0.00 C ATOM 178 C ALA A 14 -3.951 5.422 6.992 1.00 0.00 C ATOM 179 O ALA A 14 -5.133 5.666 7.234 1.00 0.00 O ATOM 180 CB ALA A 14 -2.258 4.413 5.463 1.00 0.00 C ATOM 0 H ALA A 14 -4.374 3.874 4.321 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.405 3.357 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.473 4.709 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.960 3.500 4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.414 5.208 4.733 1.00 0.00 H new ATOM 186 N ASN A 15 -2.954 6.216 7.369 1.00 0.00 N ATOM 187 CA ASN A 15 -3.207 7.449 8.107 1.00 0.00 C ATOM 188 C ASN A 15 -2.094 8.460 7.856 1.00 0.00 C ATOM 189 O ASN A 15 -0.959 8.087 7.557 1.00 0.00 O ATOM 190 CB ASN A 15 -3.303 7.149 9.606 1.00 0.00 C ATOM 191 CG ASN A 15 -4.105 5.872 9.831 1.00 0.00 C ATOM 192 OD1 ASN A 15 -5.311 5.843 9.589 1.00 0.00 O ATOM 193 ND2 ASN A 15 -3.503 4.806 10.285 1.00 0.00 N ATOM 0 H ASN A 15 -1.970 6.030 7.177 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.150 7.873 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.304 7.040 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.778 7.983 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.033 3.948 10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.503 4.831 10.485 1.00 0.00 H new ATOM 200 N ARG A 16 -2.426 9.740 7.981 1.00 0.00 N ATOM 201 CA ARG A 16 -1.447 10.799 7.770 1.00 0.00 C ATOM 202 C ARG A 16 -0.853 10.710 6.369 1.00 0.00 C ATOM 203 O ARG A 16 -1.290 9.902 5.550 1.00 0.00 O ATOM 204 CB ARG A 16 -0.329 10.696 8.811 1.00 0.00 C ATOM 205 CG ARG A 16 -0.940 10.653 10.222 1.00 0.00 C ATOM 206 CD ARG A 16 0.141 10.316 11.275 1.00 0.00 C ATOM 207 NE ARG A 16 -0.070 8.964 11.786 1.00 0.00 N ATOM 208 CZ ARG A 16 0.387 8.597 12.980 1.00 0.00 C ATOM 209 NH1 ARG A 16 1.035 9.453 13.722 1.00 0.00 N ATOM 210 NH2 ARG A 16 0.187 7.381 13.409 1.00 0.00 N ATOM 0 H ARG A 16 -3.360 10.068 8.226 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.952 11.759 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.265 9.800 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.345 11.548 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.395 11.615 10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.734 9.907 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.133 10.396 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.101 11.034 12.094 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.578 8.288 11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.191 10.403 13.386 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.385 9.172 14.638 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.320 6.712 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.537 7.099 14.325 1.00 0.00 H new ATOM 224 N LYS A 17 0.144 11.552 6.098 1.00 0.00 N ATOM 225 CA LYS A 17 0.797 11.574 4.787 1.00 0.00 C ATOM 226 C LYS A 17 2.088 10.759 4.809 1.00 0.00 C ATOM 227 O LYS A 17 2.892 10.871 5.735 1.00 0.00 O ATOM 228 CB LYS A 17 1.103 13.026 4.394 1.00 0.00 C ATOM 229 CG LYS A 17 2.012 13.063 3.151 1.00 0.00 C ATOM 230 CD LYS A 17 1.858 14.408 2.434 1.00 0.00 C ATOM 231 CE LYS A 17 2.306 15.537 3.362 1.00 0.00 C ATOM 232 NZ LYS A 17 2.410 16.805 2.588 1.00 0.00 N ATOM 0 H LYS A 17 0.517 12.227 6.766 1.00 0.00 H new ATOM 0 HA LYS A 17 0.125 11.128 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.174 13.558 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.589 13.540 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.051 12.914 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.752 12.248 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.454 14.416 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.820 14.557 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.594 15.655 4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.269 15.293 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.715 17.573 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.105 16.689 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.483 17.040 2.180 1.00 0.00 H new ATOM 246 N ILE A 18 2.282 9.949 3.771 1.00 0.00 N ATOM 247 CA ILE A 18 3.481 9.126 3.662 1.00 0.00 C ATOM 248 C ILE A 18 4.650 10.011 3.190 1.00 0.00 C ATOM 249 O ILE A 18 4.476 10.799 2.260 1.00 0.00 O ATOM 250 CB ILE A 18 3.213 7.985 2.645 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.524 6.790 3.349 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.506 7.519 1.950 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.542 5.872 4.046 1.00 0.00 C ATOM 0 H ILE A 18 1.626 9.846 2.997 1.00 0.00 H new ATOM 0 HA ILE A 18 3.737 8.687 4.626 1.00 0.00 H new ATOM 0 HB ILE A 18 2.550 8.381 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.810 7.163 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.958 6.214 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.273 6.720 1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.953 8.356 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.209 7.151 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.018 5.047 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.241 5.477 3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.090 6.441 4.797 1.00 0.00 H new ATOM 265 N PRO A 19 5.827 9.914 3.779 1.00 0.00 N ATOM 266 CA PRO A 19 6.987 10.752 3.342 1.00 0.00 C ATOM 267 C PRO A 19 7.362 10.460 1.886 1.00 0.00 C ATOM 268 O PRO A 19 7.912 9.404 1.572 1.00 0.00 O ATOM 269 CB PRO A 19 8.109 10.362 4.322 1.00 0.00 C ATOM 270 CG PRO A 19 7.724 9.014 4.824 1.00 0.00 C ATOM 271 CD PRO A 19 6.205 9.026 4.900 1.00 0.00 C ATOM 0 HA PRO A 19 6.776 11.821 3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.078 10.337 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.189 11.080 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.077 8.230 4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.164 8.819 5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.786 8.026 4.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.851 9.410 5.857 1.00 0.00 H new ATOM 279 N LEU A 20 7.030 11.399 1.003 1.00 0.00 N ATOM 280 CA LEU A 20 7.298 11.243 -0.426 1.00 0.00 C ATOM 281 C LEU A 20 8.711 10.701 -0.687 1.00 0.00 C ATOM 282 O LEU A 20 8.915 9.908 -1.605 1.00 0.00 O ATOM 283 CB LEU A 20 7.101 12.596 -1.144 1.00 0.00 C ATOM 284 CG LEU A 20 5.642 12.735 -1.607 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.711 12.651 -0.399 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.446 14.080 -2.308 1.00 0.00 C ATOM 0 H LEU A 20 6.574 12.277 1.252 1.00 0.00 H new ATOM 0 HA LEU A 20 6.592 10.513 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.358 13.415 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.772 12.664 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 20 5.410 11.929 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.677 12.750 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.844 11.689 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.947 13.454 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.410 14.173 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.683 14.889 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.105 14.138 -3.174 1.00 0.00 H new ATOM 298 N GLN A 21 9.680 11.147 0.103 1.00 0.00 N ATOM 299 CA GLN A 21 11.066 10.710 -0.078 1.00 0.00 C ATOM 300 C GLN A 21 11.185 9.183 -0.131 1.00 0.00 C ATOM 301 O GLN A 21 11.924 8.643 -0.954 1.00 0.00 O ATOM 302 CB GLN A 21 11.939 11.254 1.060 1.00 0.00 C ATOM 303 CG GLN A 21 11.213 11.083 2.393 1.00 0.00 C ATOM 304 CD GLN A 21 12.103 11.561 3.536 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.897 10.787 4.069 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.018 12.797 3.944 1.00 0.00 N ATOM 0 H GLN A 21 9.538 11.805 0.869 1.00 0.00 H new ATOM 0 HA GLN A 21 11.411 11.105 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.892 10.726 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.162 12.307 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.282 11.649 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.948 10.036 2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.359 13.436 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.611 13.124 4.707 1.00 0.00 H new ATOM 315 N ARG A 22 10.479 8.494 0.760 1.00 0.00 N ATOM 316 CA ARG A 22 10.543 7.032 0.813 1.00 0.00 C ATOM 317 C ARG A 22 9.656 6.390 -0.256 1.00 0.00 C ATOM 318 O ARG A 22 10.082 5.473 -0.957 1.00 0.00 O ATOM 319 CB ARG A 22 10.113 6.560 2.208 1.00 0.00 C ATOM 320 CG ARG A 22 11.238 6.854 3.234 1.00 0.00 C ATOM 321 CD ARG A 22 10.639 7.256 4.592 1.00 0.00 C ATOM 322 NE ARG A 22 11.580 6.950 5.665 1.00 0.00 N ATOM 323 CZ ARG A 22 11.164 6.743 6.911 1.00 0.00 C ATOM 324 NH1 ARG A 22 9.892 6.817 7.194 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.028 6.466 7.849 1.00 0.00 N ATOM 0 H ARG A 22 9.860 8.917 1.451 1.00 0.00 H new ATOM 0 HA ARG A 22 11.570 6.724 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.195 7.067 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.896 5.492 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.867 5.972 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.878 7.654 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.406 8.321 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.702 6.724 4.757 1.00 0.00 H new ATOM 0 HE ARG A 22 12.577 6.894 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.218 7.033 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.572 6.658 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.022 6.408 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.710 6.307 8.805 1.00 0.00 H new ATOM 339 N LEU A 23 8.426 6.879 -0.369 1.00 0.00 N ATOM 340 CA LEU A 23 7.469 6.360 -1.351 1.00 0.00 C ATOM 341 C LEU A 23 8.175 6.010 -2.665 1.00 0.00 C ATOM 342 O LEU A 23 9.020 6.764 -3.147 1.00 0.00 O ATOM 343 CB LEU A 23 6.375 7.436 -1.547 1.00 0.00 C ATOM 344 CG LEU A 23 5.656 7.368 -2.918 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.572 7.865 -4.068 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.124 5.940 -3.203 1.00 0.00 C ATOM 0 H LEU A 23 8.063 7.638 0.208 1.00 0.00 H new ATOM 0 HA LEU A 23 7.012 5.436 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.633 7.333 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.826 8.422 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 23 4.799 8.039 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.034 7.803 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.861 8.899 -3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.465 7.242 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.625 5.924 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.957 5.237 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.416 5.654 -2.425 1.00 0.00 H new ATOM 358 N GLU A 24 7.828 4.851 -3.234 1.00 0.00 N ATOM 359 CA GLU A 24 8.431 4.392 -4.493 1.00 0.00 C ATOM 360 C GLU A 24 7.413 4.468 -5.635 1.00 0.00 C ATOM 361 O GLU A 24 7.614 5.190 -6.611 1.00 0.00 O ATOM 362 CB GLU A 24 8.924 2.948 -4.329 1.00 0.00 C ATOM 363 CG GLU A 24 9.342 2.362 -5.685 1.00 0.00 C ATOM 364 CD GLU A 24 10.287 3.317 -6.408 1.00 0.00 C ATOM 365 OE1 GLU A 24 11.409 3.468 -5.952 1.00 0.00 O ATOM 366 OE2 GLU A 24 9.875 3.884 -7.407 1.00 0.00 O ATOM 0 H GLU A 24 7.134 4.213 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 24 9.274 5.039 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.768 2.922 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.136 2.337 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.831 1.399 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.459 2.181 -6.298 1.00 0.00 H new ATOM 373 N SER A 25 6.317 3.717 -5.502 1.00 0.00 N ATOM 374 CA SER A 25 5.267 3.703 -6.525 1.00 0.00 C ATOM 375 C SER A 25 3.908 3.408 -5.889 1.00 0.00 C ATOM 376 O SER A 25 3.769 3.444 -4.667 1.00 0.00 O ATOM 377 CB SER A 25 5.580 2.640 -7.577 1.00 0.00 C ATOM 378 OG SER A 25 4.782 2.870 -8.730 1.00 0.00 O ATOM 0 H SER A 25 6.133 3.113 -4.701 1.00 0.00 H new ATOM 0 HA SER A 25 5.231 4.684 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.637 2.673 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.382 1.646 -7.176 1.00 0.00 H new ATOM 0 HG SER A 25 4.241 2.075 -8.917 1.00 0.00 H new ATOM 384 N TYR A 26 2.905 3.111 -6.724 1.00 0.00 N ATOM 385 CA TYR A 26 1.559 2.806 -6.220 1.00 0.00 C ATOM 386 C TYR A 26 0.935 1.642 -6.994 1.00 0.00 C ATOM 387 O TYR A 26 1.305 1.372 -8.137 1.00 0.00 O ATOM 388 CB TYR A 26 0.655 4.043 -6.320 1.00 0.00 C ATOM 389 CG TYR A 26 0.279 4.307 -7.760 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.122 5.070 -8.575 1.00 0.00 C ATOM 391 CD2 TYR A 26 -0.914 3.790 -8.277 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.774 5.319 -9.906 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.264 4.039 -9.610 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.420 4.804 -10.425 1.00 0.00 C ATOM 395 OH TYR A 26 -0.765 5.048 -11.738 1.00 0.00 O ATOM 0 H TYR A 26 2.997 3.075 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 26 1.651 2.516 -5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.245 3.892 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.169 4.911 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.043 5.467 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.564 3.199 -7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.426 5.908 -10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.185 3.641 -10.010 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.623 4.618 -11.936 1.00 0.00 H new ATOM 405 N ARG A 27 -0.018 0.958 -6.357 1.00 0.00 N ATOM 406 CA ARG A 27 -0.696 -0.177 -6.984 1.00 0.00 C ATOM 407 C ARG A 27 -2.078 -0.380 -6.364 1.00 0.00 C ATOM 408 O ARG A 27 -2.285 -0.098 -5.186 1.00 0.00 O ATOM 409 CB ARG A 27 0.134 -1.454 -6.800 1.00 0.00 C ATOM 410 CG ARG A 27 -0.355 -2.555 -7.774 1.00 0.00 C ATOM 411 CD ARG A 27 -0.275 -3.930 -7.102 1.00 0.00 C ATOM 412 NE ARG A 27 1.061 -4.151 -6.561 1.00 0.00 N ATOM 413 CZ ARG A 27 1.326 -5.205 -5.797 1.00 0.00 C ATOM 414 NH1 ARG A 27 0.384 -6.065 -5.520 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.530 -5.382 -5.324 1.00 0.00 N ATOM 0 H ARG A 27 -0.336 1.170 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.808 0.034 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.188 -1.241 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.051 -1.805 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.381 -2.351 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.254 -2.548 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.014 -3.996 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.516 -4.710 -7.824 1.00 0.00 H new ATOM 0 HE ARG A 27 1.804 -3.485 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.557 -5.928 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.588 -6.874 -4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.267 -4.711 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.734 -6.191 -4.737 1.00 0.00 H new ATOM 429 N ARG A 28 -3.026 -0.869 -7.164 1.00 0.00 N ATOM 430 CA ARG A 28 -4.390 -1.099 -6.679 1.00 0.00 C ATOM 431 C ARG A 28 -4.536 -2.517 -6.116 1.00 0.00 C ATOM 432 O ARG A 28 -3.794 -3.426 -6.492 1.00 0.00 O ATOM 433 CB ARG A 28 -5.390 -0.867 -7.839 1.00 0.00 C ATOM 434 CG ARG A 28 -6.521 0.076 -7.401 1.00 0.00 C ATOM 435 CD ARG A 28 -7.502 0.268 -8.559 1.00 0.00 C ATOM 436 NE ARG A 28 -8.467 1.314 -8.237 1.00 0.00 N ATOM 437 CZ ARG A 28 -8.102 2.591 -8.176 1.00 0.00 C ATOM 438 NH1 ARG A 28 -6.863 2.927 -8.408 1.00 0.00 N ATOM 439 NH2 ARG A 28 -8.984 3.507 -7.887 1.00 0.00 N ATOM 0 H ARG A 28 -2.878 -1.112 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.605 -0.398 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.868 -0.443 -8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.809 -1.820 -8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.039 -0.338 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.109 1.038 -7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.958 0.532 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.023 -0.667 -8.762 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.438 1.061 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.174 2.210 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.583 3.907 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.953 3.244 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.705 4.487 -7.840 1.00 0.00 H new ATOM 453 N ILE A 29 -5.507 -2.696 -5.213 1.00 0.00 N ATOM 454 CA ILE A 29 -5.760 -4.007 -4.596 1.00 0.00 C ATOM 455 C ILE A 29 -6.951 -4.679 -5.283 1.00 0.00 C ATOM 456 O ILE A 29 -6.805 -5.720 -5.923 1.00 0.00 O ATOM 457 CB ILE A 29 -6.029 -3.856 -3.062 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.755 -2.401 -2.632 1.00 0.00 C ATOM 459 CG2 ILE A 29 -5.120 -4.814 -2.273 1.00 0.00 C ATOM 460 CD1 ILE A 29 -6.033 -2.209 -1.136 1.00 0.00 C ATOM 0 H ILE A 29 -6.129 -1.954 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.875 -4.631 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.070 -4.104 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.719 -2.143 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.381 -1.723 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.313 -4.703 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.326 -5.841 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.076 -4.578 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.832 -1.174 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.076 -2.445 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.388 -2.871 -0.558 1.00 0.00 H new ATOM 472 N THR A 30 -8.127 -4.072 -5.146 1.00 0.00 N ATOM 473 CA THR A 30 -9.336 -4.614 -5.758 1.00 0.00 C ATOM 474 C THR A 30 -9.413 -6.125 -5.556 1.00 0.00 C ATOM 475 O THR A 30 -9.924 -6.851 -6.410 1.00 0.00 O ATOM 476 CB THR A 30 -9.351 -4.298 -7.256 1.00 0.00 C ATOM 477 OG1 THR A 30 -8.310 -5.021 -7.900 1.00 0.00 O ATOM 478 CG2 THR A 30 -9.139 -2.798 -7.466 1.00 0.00 C ATOM 0 H THR A 30 -8.268 -3.210 -4.620 1.00 0.00 H new ATOM 0 HA THR A 30 -10.199 -4.151 -5.279 1.00 0.00 H new ATOM 0 HB THR A 30 -10.312 -4.588 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.901 -5.643 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.150 -2.575 -8.533 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.937 -2.245 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.178 -2.504 -7.044 1.00 0.00 H new ATOM 526 N CYS A 34 -10.165 -6.559 1.283 1.00 0.00 N ATOM 527 CA CYS A 34 -10.089 -5.106 1.181 1.00 0.00 C ATOM 528 C CYS A 34 -11.501 -4.503 1.202 1.00 0.00 C ATOM 529 O CYS A 34 -12.460 -5.157 0.794 1.00 0.00 O ATOM 530 CB CYS A 34 -9.370 -4.716 -0.115 1.00 0.00 C ATOM 531 SG CYS A 34 -7.580 -4.770 0.150 1.00 0.00 S ATOM 0 HA CYS A 34 -9.529 -4.717 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.650 -5.397 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.673 -3.716 -0.425 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.057 -5.691 -0.604 1.00 0.00 H new ATOM 536 N PRO A 35 -11.651 -3.281 1.661 1.00 0.00 N ATOM 537 CA PRO A 35 -12.984 -2.608 1.718 1.00 0.00 C ATOM 538 C PRO A 35 -13.450 -2.145 0.337 1.00 0.00 C ATOM 539 O PRO A 35 -14.570 -2.435 -0.082 1.00 0.00 O ATOM 540 CB PRO A 35 -12.734 -1.415 2.647 1.00 0.00 C ATOM 541 CG PRO A 35 -11.298 -1.070 2.430 1.00 0.00 C ATOM 542 CD PRO A 35 -10.582 -2.401 2.176 1.00 0.00 C ATOM 0 HA PRO A 35 -13.774 -3.272 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.386 -0.577 2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.927 -1.674 3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.182 -0.396 1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.882 -0.562 3.300 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.773 -2.289 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.141 -2.799 3.090 1.00 0.00 H new ATOM 550 N GLN A 36 -12.580 -1.420 -0.358 1.00 0.00 N ATOM 551 CA GLN A 36 -12.904 -0.914 -1.688 1.00 0.00 C ATOM 552 C GLN A 36 -11.628 -0.614 -2.466 1.00 0.00 C ATOM 553 O GLN A 36 -10.548 -0.511 -1.886 1.00 0.00 O ATOM 554 CB GLN A 36 -13.740 0.363 -1.567 1.00 0.00 C ATOM 555 CG GLN A 36 -13.003 1.382 -0.692 1.00 0.00 C ATOM 556 CD GLN A 36 -13.828 2.659 -0.575 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.563 3.011 -1.497 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.748 3.379 0.511 1.00 0.00 N ATOM 0 H GLN A 36 -11.649 -1.170 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.474 -1.674 -2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -13.924 0.784 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.713 0.132 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.824 0.962 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.028 1.607 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.138 3.085 1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.295 4.235 0.597 1.00 0.00 H new ATOM 567 N LYS A 37 -11.758 -0.468 -3.783 1.00 0.00 N ATOM 568 CA LYS A 37 -10.601 -0.172 -4.624 1.00 0.00 C ATOM 569 C LYS A 37 -9.746 0.913 -3.974 1.00 0.00 C ATOM 570 O LYS A 37 -10.259 1.960 -3.575 1.00 0.00 O ATOM 571 CB LYS A 37 -11.062 0.293 -6.007 1.00 0.00 C ATOM 572 CG LYS A 37 -12.211 -0.598 -6.490 1.00 0.00 C ATOM 573 CD LYS A 37 -12.418 -0.402 -7.994 1.00 0.00 C ATOM 574 CE LYS A 37 -12.625 1.085 -8.296 1.00 0.00 C ATOM 575 NZ LYS A 37 -13.219 1.237 -9.654 1.00 0.00 N ATOM 0 H LYS A 37 -12.642 -0.549 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.006 -1.078 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.388 1.332 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.232 0.249 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.988 -1.643 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.126 -0.351 -5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.554 -0.778 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.282 -0.975 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.281 1.531 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.674 1.614 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.360 2.247 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.577 0.825 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.135 0.745 -9.689 1.00 0.00 H new ATOM 589 N ALA A 38 -8.447 0.653 -3.850 1.00 0.00 N ATOM 590 CA ALA A 38 -7.549 1.618 -3.223 1.00 0.00 C ATOM 591 C ALA A 38 -6.111 1.424 -3.702 1.00 0.00 C ATOM 592 O ALA A 38 -5.658 0.301 -3.903 1.00 0.00 O ATOM 593 CB ALA A 38 -7.621 1.454 -1.696 1.00 0.00 C ATOM 0 H ALA A 38 -7.998 -0.205 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.863 2.623 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.952 2.172 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.642 1.631 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.319 0.442 -1.424 1.00 0.00 H new ATOM 599 N VAL A 39 -5.388 2.528 -3.870 1.00 0.00 N ATOM 600 CA VAL A 39 -3.999 2.451 -4.304 1.00 0.00 C ATOM 601 C VAL A 39 -3.113 2.116 -3.109 1.00 0.00 C ATOM 602 O VAL A 39 -3.454 2.432 -1.969 1.00 0.00 O ATOM 603 CB VAL A 39 -3.562 3.775 -4.934 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.568 4.180 -6.016 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.499 4.862 -3.860 1.00 0.00 C ATOM 0 H VAL A 39 -5.736 3.474 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.902 1.667 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.575 3.655 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.258 5.123 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.607 3.407 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.555 4.298 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.187 5.803 -4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.483 4.985 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.781 4.574 -3.092 1.00 0.00 H new ATOM 615 N ILE A 40 -1.990 1.448 -3.370 1.00 0.00 N ATOM 616 CA ILE A 40 -1.069 1.041 -2.304 1.00 0.00 C ATOM 617 C ILE A 40 0.317 1.641 -2.529 1.00 0.00 C ATOM 618 O ILE A 40 1.068 1.182 -3.386 1.00 0.00 O ATOM 619 CB ILE A 40 -0.996 -0.502 -2.275 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.234 -1.052 -1.555 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.267 -0.984 -1.549 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.322 -2.565 -1.761 1.00 0.00 C ATOM 0 H ILE A 40 -1.694 1.177 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.435 1.409 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.961 -0.865 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.179 -0.823 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.133 -0.570 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.291 -2.074 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.150 -0.604 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.259 -0.617 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.203 -2.951 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.398 -2.783 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.428 -3.040 -1.356 1.00 0.00 H new ATOM 634 N PHE A 41 0.654 2.656 -1.736 1.00 0.00 N ATOM 635 CA PHE A 41 1.961 3.292 -1.852 1.00 0.00 C ATOM 636 C PHE A 41 3.014 2.435 -1.161 1.00 0.00 C ATOM 637 O PHE A 41 2.936 2.188 0.042 1.00 0.00 O ATOM 638 CB PHE A 41 1.936 4.682 -1.212 1.00 0.00 C ATOM 639 CG PHE A 41 0.862 5.521 -1.865 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.989 5.908 -3.206 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.252 5.928 -1.126 1.00 0.00 C ATOM 642 CE1 PHE A 41 0.000 6.697 -3.805 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.235 6.718 -1.721 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.111 7.104 -3.062 1.00 0.00 C ATOM 0 H PHE A 41 0.048 3.050 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 41 2.207 3.393 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.745 4.598 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.907 5.163 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.851 5.597 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.352 5.630 -0.093 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.096 6.991 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.094 7.033 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.874 7.716 -3.521 1.00 0.00 H new ATOM 654 N LYS A 42 4.001 1.982 -1.932 1.00 0.00 N ATOM 655 CA LYS A 42 5.072 1.145 -1.391 1.00 0.00 C ATOM 656 C LYS A 42 6.336 1.971 -1.190 1.00 0.00 C ATOM 657 O LYS A 42 6.682 2.808 -2.025 1.00 0.00 O ATOM 658 CB LYS A 42 5.358 -0.013 -2.351 1.00 0.00 C ATOM 659 CG LYS A 42 5.395 0.509 -3.788 1.00 0.00 C ATOM 660 CD LYS A 42 6.019 -0.548 -4.701 1.00 0.00 C ATOM 661 CE LYS A 42 5.256 -1.866 -4.553 1.00 0.00 C ATOM 662 NZ LYS A 42 3.794 -1.588 -4.487 1.00 0.00 N ATOM 0 H LYS A 42 4.082 2.179 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 42 4.755 0.746 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.310 -0.481 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.589 -0.779 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.386 0.746 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.972 1.432 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.988 -0.212 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.068 -0.692 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.475 -2.522 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.579 -2.387 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.268 -2.407 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.518 -1.414 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.574 -0.749 -5.061 1.00 0.00 H new ATOM 676 N THR A 43 7.023 1.730 -0.076 1.00 0.00 N ATOM 677 CA THR A 43 8.257 2.455 0.240 1.00 0.00 C ATOM 678 C THR A 43 9.317 1.478 0.743 1.00 0.00 C ATOM 679 O THR A 43 9.083 0.272 0.810 1.00 0.00 O ATOM 680 CB THR A 43 7.992 3.549 1.306 1.00 0.00 C ATOM 681 OG1 THR A 43 8.892 3.385 2.395 1.00 0.00 O ATOM 682 CG2 THR A 43 6.551 3.453 1.825 1.00 0.00 C ATOM 0 H THR A 43 6.749 1.040 0.624 1.00 0.00 H new ATOM 0 HA THR A 43 8.618 2.940 -0.667 1.00 0.00 H new ATOM 0 HB THR A 43 8.142 4.526 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.449 2.887 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.381 4.228 2.573 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.856 3.590 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.391 2.473 2.275 1.00 0.00 H new ATOM 690 N LYS A 44 10.486 2.009 1.090 1.00 0.00 N ATOM 691 CA LYS A 44 11.578 1.175 1.578 1.00 0.00 C ATOM 692 C LYS A 44 11.380 0.819 3.049 1.00 0.00 C ATOM 693 O LYS A 44 12.260 0.228 3.674 1.00 0.00 O ATOM 694 CB LYS A 44 12.909 1.909 1.407 1.00 0.00 C ATOM 695 CG LYS A 44 12.931 3.146 2.309 1.00 0.00 C ATOM 696 CD LYS A 44 14.079 4.067 1.889 1.00 0.00 C ATOM 697 CE LYS A 44 15.419 3.365 2.126 1.00 0.00 C ATOM 698 NZ LYS A 44 16.517 4.372 2.102 1.00 0.00 N ATOM 0 H LYS A 44 10.700 3.005 1.043 1.00 0.00 H new ATOM 0 HA LYS A 44 11.587 0.254 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.737 1.247 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.043 2.203 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.981 3.677 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.053 2.847 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.978 4.333 0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.039 4.996 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.406 2.848 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.587 2.609 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.428 3.896 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.533 4.846 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.358 5.077 2.850 1.00 0.00 H new ATOM 712 N LEU A 45 10.225 1.180 3.601 1.00 0.00 N ATOM 713 CA LEU A 45 9.945 0.883 5.003 1.00 0.00 C ATOM 714 C LEU A 45 10.144 -0.613 5.265 1.00 0.00 C ATOM 715 O LEU A 45 11.255 -1.053 5.561 1.00 0.00 O ATOM 716 CB LEU A 45 8.497 1.319 5.361 1.00 0.00 C ATOM 717 CG LEU A 45 8.467 2.690 6.082 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.283 2.646 7.394 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.008 3.794 5.152 1.00 0.00 C ATOM 0 H LEU A 45 9.478 1.671 3.109 1.00 0.00 H new ATOM 0 HA LEU A 45 10.636 1.441 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.899 1.374 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.038 0.564 5.999 1.00 0.00 H new ATOM 0 HG LEU A 45 7.432 2.917 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.245 3.621 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.861 1.893 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.319 2.393 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.981 4.752 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.035 3.562 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.390 3.850 4.256 1.00 0.00 H new ATOM 731 N ALA A 46 9.067 -1.388 5.154 1.00 0.00 N ATOM 732 CA ALA A 46 9.146 -2.826 5.383 1.00 0.00 C ATOM 733 C ALA A 46 7.779 -3.481 5.192 1.00 0.00 C ATOM 734 O ALA A 46 7.624 -4.682 5.409 1.00 0.00 O ATOM 735 CB ALA A 46 9.652 -3.103 6.804 1.00 0.00 C ATOM 0 H ALA A 46 8.138 -1.047 4.909 1.00 0.00 H new ATOM 0 HA ALA A 46 9.842 -3.249 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.708 -4.179 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.642 -2.665 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.966 -2.662 7.527 1.00 0.00 H new ATOM 741 N LYS A 47 6.790 -2.687 4.787 1.00 0.00 N ATOM 742 CA LYS A 47 5.441 -3.208 4.575 1.00 0.00 C ATOM 743 C LYS A 47 4.677 -2.351 3.566 1.00 0.00 C ATOM 744 O LYS A 47 5.137 -1.282 3.168 1.00 0.00 O ATOM 745 CB LYS A 47 4.682 -3.289 5.920 1.00 0.00 C ATOM 746 CG LYS A 47 4.047 -1.939 6.312 1.00 0.00 C ATOM 747 CD LYS A 47 5.111 -0.833 6.375 1.00 0.00 C ATOM 748 CE LYS A 47 6.169 -1.167 7.438 1.00 0.00 C ATOM 749 NZ LYS A 47 5.517 -1.785 8.626 1.00 0.00 N ATOM 0 H LYS A 47 6.895 -1.690 4.600 1.00 0.00 H new ATOM 0 HA LYS A 47 5.520 -4.214 4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.903 -4.049 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.369 -3.607 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.279 -1.670 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.554 -2.031 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.587 -0.722 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.639 0.121 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.911 -1.850 7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.699 -0.261 7.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.152 -1.715 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.628 -1.286 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.315 -2.786 8.430 1.00 0.00 H new ATOM 763 N ASP A 48 3.505 -2.836 3.158 1.00 0.00 N ATOM 764 CA ASP A 48 2.674 -2.117 2.193 1.00 0.00 C ATOM 765 C ASP A 48 1.731 -1.153 2.908 1.00 0.00 C ATOM 766 O ASP A 48 1.329 -1.391 4.047 1.00 0.00 O ATOM 767 CB ASP A 48 1.858 -3.116 1.369 1.00 0.00 C ATOM 768 CG ASP A 48 2.733 -4.300 0.972 1.00 0.00 C ATOM 769 OD1 ASP A 48 3.408 -4.201 -0.039 1.00 0.00 O ATOM 770 OD2 ASP A 48 2.713 -5.291 1.684 1.00 0.00 O ATOM 0 H ASP A 48 3.111 -3.720 3.479 1.00 0.00 H new ATOM 0 HA ASP A 48 3.325 -1.544 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.002 -3.463 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.464 -2.629 0.477 1.00 0.00 H new ATOM 775 N ILE A 49 1.386 -0.058 2.230 1.00 0.00 N ATOM 776 CA ILE A 49 0.491 0.958 2.797 1.00 0.00 C ATOM 777 C ILE A 49 -0.833 0.985 2.035 1.00 0.00 C ATOM 778 O ILE A 49 -0.856 0.830 0.820 1.00 0.00 O ATOM 779 CB ILE A 49 1.160 2.330 2.691 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.588 2.253 3.252 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.350 3.364 3.473 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.576 1.694 4.681 1.00 0.00 C ATOM 0 H ILE A 49 1.712 0.151 1.286 1.00 0.00 H new ATOM 0 HA ILE A 49 0.294 0.715 3.841 1.00 0.00 H new ATOM 0 HB ILE A 49 1.202 2.629 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.202 1.619 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.041 3.245 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.831 4.339 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.658 3.423 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.298 3.069 4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.596 1.647 5.062 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.980 2.344 5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.144 0.693 4.677 1.00 0.00 H new ATOM 794 N CYS A 50 -1.938 1.192 2.750 1.00 0.00 N ATOM 795 CA CYS A 50 -3.259 1.244 2.113 1.00 0.00 C ATOM 796 C CYS A 50 -3.696 2.696 1.942 1.00 0.00 C ATOM 797 O CYS A 50 -3.276 3.566 2.703 1.00 0.00 O ATOM 798 CB CYS A 50 -4.279 0.496 2.974 1.00 0.00 C ATOM 799 SG CYS A 50 -3.680 -1.181 3.298 1.00 0.00 S ATOM 0 H CYS A 50 -1.949 1.326 3.761 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.200 0.771 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.436 1.026 3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.242 0.458 2.465 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.513 -1.795 4.085 1.00 0.00 H new ATOM 804 N ALA A 51 -4.524 2.963 0.933 1.00 0.00 N ATOM 805 CA ALA A 51 -4.975 4.332 0.690 1.00 0.00 C ATOM 806 C ALA A 51 -5.997 4.390 -0.452 1.00 0.00 C ATOM 807 O ALA A 51 -5.732 3.920 -1.556 1.00 0.00 O ATOM 808 CB ALA A 51 -3.749 5.199 0.350 1.00 0.00 C ATOM 0 H ALA A 51 -4.890 2.267 0.284 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.467 4.709 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.069 6.225 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.048 5.182 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.261 4.805 -0.542 1.00 0.00 H new ATOM 814 N ASP A 52 -7.159 4.988 -0.177 1.00 0.00 N ATOM 815 CA ASP A 52 -8.218 5.120 -1.185 1.00 0.00 C ATOM 816 C ASP A 52 -8.093 6.472 -1.913 1.00 0.00 C ATOM 817 O ASP A 52 -7.806 7.484 -1.276 1.00 0.00 O ATOM 818 CB ASP A 52 -9.584 5.034 -0.496 1.00 0.00 C ATOM 819 CG ASP A 52 -10.704 5.297 -1.497 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.708 6.366 -2.084 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.542 4.425 -1.659 1.00 0.00 O ATOM 0 H ASP A 52 -7.392 5.388 0.732 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.120 4.316 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.711 4.048 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.635 5.760 0.315 1.00 0.00 H new ATOM 826 N PRO A 53 -8.298 6.525 -3.220 1.00 0.00 N ATOM 827 CA PRO A 53 -8.187 7.806 -3.992 1.00 0.00 C ATOM 828 C PRO A 53 -9.249 8.829 -3.584 1.00 0.00 C ATOM 829 O PRO A 53 -10.143 9.163 -4.363 1.00 0.00 O ATOM 830 CB PRO A 53 -8.349 7.367 -5.460 1.00 0.00 C ATOM 831 CG PRO A 53 -9.108 6.084 -5.393 1.00 0.00 C ATOM 832 CD PRO A 53 -8.651 5.397 -4.108 1.00 0.00 C ATOM 0 HA PRO A 53 -7.241 8.315 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.889 8.116 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.381 7.229 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.183 6.266 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.902 5.462 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.441 4.781 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.797 4.743 -4.284 1.00 0.00 H new ATOM 840 N LYS A 54 -9.133 9.328 -2.355 1.00 0.00 N ATOM 841 CA LYS A 54 -10.070 10.324 -1.834 1.00 0.00 C ATOM 842 C LYS A 54 -9.321 11.312 -0.945 1.00 0.00 C ATOM 843 O LYS A 54 -9.393 12.524 -1.145 1.00 0.00 O ATOM 844 CB LYS A 54 -11.177 9.634 -1.025 1.00 0.00 C ATOM 845 CG LYS A 54 -12.187 8.985 -1.981 1.00 0.00 C ATOM 846 CD LYS A 54 -13.113 8.043 -1.207 1.00 0.00 C ATOM 847 CE LYS A 54 -13.887 7.166 -2.195 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.814 8.017 -2.994 1.00 0.00 N ATOM 0 H LYS A 54 -8.399 9.059 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.524 10.858 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.745 8.878 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.680 10.360 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.774 9.756 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.660 8.432 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.531 7.419 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.806 8.619 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.194 6.645 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.449 6.403 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.457 7.410 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.368 8.621 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.264 8.614 -3.644 1.00 0.00 H new ATOM 862 N LYS A 55 -8.589 10.776 0.024 1.00 0.00 N ATOM 863 CA LYS A 55 -7.807 11.609 0.934 1.00 0.00 C ATOM 864 C LYS A 55 -6.786 12.412 0.117 1.00 0.00 C ATOM 865 O LYS A 55 -6.348 11.971 -0.942 1.00 0.00 O ATOM 866 CB LYS A 55 -7.113 10.731 2.013 1.00 0.00 C ATOM 867 CG LYS A 55 -7.494 9.258 1.796 1.00 0.00 C ATOM 868 CD LYS A 55 -6.832 8.357 2.859 1.00 0.00 C ATOM 869 CE LYS A 55 -7.728 8.231 4.100 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.098 7.802 3.700 1.00 0.00 N ATOM 0 H LYS A 55 -8.519 9.774 0.201 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.462 12.304 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.031 10.851 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.416 11.053 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.577 9.147 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.184 8.941 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.644 7.369 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.865 8.772 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.300 7.508 4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.776 9.186 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.539 7.277 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.673 8.640 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.039 7.190 2.861 1.00 0.00 H new ATOM 884 N LYS A 56 -6.453 13.606 0.592 1.00 0.00 N ATOM 885 CA LYS A 56 -5.530 14.486 -0.129 1.00 0.00 C ATOM 886 C LYS A 56 -4.158 13.857 -0.392 1.00 0.00 C ATOM 887 O LYS A 56 -3.716 13.798 -1.540 1.00 0.00 O ATOM 888 CB LYS A 56 -5.339 15.786 0.654 1.00 0.00 C ATOM 889 CG LYS A 56 -4.730 16.857 -0.260 1.00 0.00 C ATOM 890 CD LYS A 56 -4.132 17.983 0.588 1.00 0.00 C ATOM 891 CE LYS A 56 -3.873 19.208 -0.292 1.00 0.00 C ATOM 892 NZ LYS A 56 -3.328 20.314 0.544 1.00 0.00 N ATOM 0 H LYS A 56 -6.804 13.990 1.469 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.986 14.674 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.297 16.130 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.688 15.613 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.958 16.415 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.494 17.257 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.813 18.243 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.202 17.650 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.169 18.957 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.798 19.524 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.152 21.147 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.015 20.559 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.437 20.009 0.985 1.00 0.00 H new ATOM 906 N TRP A 57 -3.463 13.428 0.658 1.00 0.00 N ATOM 907 CA TRP A 57 -2.124 12.865 0.480 1.00 0.00 C ATOM 908 C TRP A 57 -2.126 11.694 -0.498 1.00 0.00 C ATOM 909 O TRP A 57 -1.089 11.358 -1.068 1.00 0.00 O ATOM 910 CB TRP A 57 -1.524 12.433 1.825 1.00 0.00 C ATOM 911 CG TRP A 57 -2.132 11.148 2.295 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.282 11.051 2.998 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.637 9.784 2.125 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.526 9.718 3.272 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.543 8.899 2.754 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.502 9.232 1.492 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.334 7.521 2.759 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.292 7.844 1.495 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.206 6.990 2.128 1.00 0.00 C ATOM 0 H TRP A 57 -3.794 13.457 1.622 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.501 13.653 0.057 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.445 12.314 1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.691 13.212 2.569 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.908 11.879 3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.335 9.381 3.794 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.209 9.881 1.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.040 6.867 3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.579 7.432 1.007 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.038 5.923 2.128 1.00 0.00 H new ATOM 930 N VAL A 58 -3.282 11.075 -0.696 1.00 0.00 N ATOM 931 CA VAL A 58 -3.363 9.950 -1.617 1.00 0.00 C ATOM 932 C VAL A 58 -3.303 10.437 -3.060 1.00 0.00 C ATOM 933 O VAL A 58 -2.466 9.984 -3.834 1.00 0.00 O ATOM 934 CB VAL A 58 -4.658 9.164 -1.383 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.809 8.065 -2.445 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.623 8.526 0.013 1.00 0.00 C ATOM 0 H VAL A 58 -4.160 11.326 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.513 9.293 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.506 9.845 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.732 7.513 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.841 8.518 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.961 7.382 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.543 7.967 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.770 7.851 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.530 9.307 0.768 1.00 0.00 H new ATOM 946 N GLN A 59 -4.191 11.362 -3.415 1.00 0.00 N ATOM 947 CA GLN A 59 -4.217 11.887 -4.775 1.00 0.00 C ATOM 948 C GLN A 59 -2.940 12.673 -5.076 1.00 0.00 C ATOM 949 O GLN A 59 -2.460 12.685 -6.209 1.00 0.00 O ATOM 950 CB GLN A 59 -5.451 12.787 -4.979 1.00 0.00 C ATOM 951 CG GLN A 59 -6.626 12.282 -4.120 1.00 0.00 C ATOM 952 CD GLN A 59 -7.959 12.681 -4.752 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.462 11.984 -5.632 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.561 13.768 -4.351 1.00 0.00 N ATOM 0 H GLN A 59 -4.892 11.758 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.276 11.045 -5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.209 13.815 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.736 12.793 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.573 11.198 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.554 12.697 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.141 14.344 -3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.451 14.041 -4.768 1.00 0.00 H new ATOM 963 N ASP A 60 -2.405 13.336 -4.057 1.00 0.00 N ATOM 964 CA ASP A 60 -1.194 14.132 -4.222 1.00 0.00 C ATOM 965 C ASP A 60 0.037 13.243 -4.393 1.00 0.00 C ATOM 966 O ASP A 60 1.003 13.631 -5.049 1.00 0.00 O ATOM 967 CB ASP A 60 -1.001 15.039 -3.002 1.00 0.00 C ATOM 968 CG ASP A 60 -0.005 16.147 -3.326 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.318 16.972 -4.168 1.00 0.00 O ATOM 970 OD2 ASP A 60 1.058 16.155 -2.725 1.00 0.00 O ATOM 0 H ASP A 60 -2.788 13.339 -3.112 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.308 14.736 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.956 15.473 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.642 14.453 -2.156 1.00 0.00 H new ATOM 975 N SER A 61 0.006 12.060 -3.787 1.00 0.00 N ATOM 976 CA SER A 61 1.140 11.143 -3.872 1.00 0.00 C ATOM 977 C SER A 61 1.306 10.583 -5.285 1.00 0.00 C ATOM 978 O SER A 61 2.398 10.635 -5.850 1.00 0.00 O ATOM 979 CB SER A 61 0.951 9.989 -2.884 1.00 0.00 C ATOM 980 OG SER A 61 1.674 8.854 -3.345 1.00 0.00 O ATOM 0 H SER A 61 -0.781 11.716 -3.238 1.00 0.00 H new ATOM 0 HA SER A 61 2.041 11.703 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.302 10.281 -1.894 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.107 9.746 -2.788 1.00 0.00 H new ATOM 0 HG SER A 61 1.244 8.037 -3.017 1.00 0.00 H new ATOM 986 N MET A 62 0.229 10.043 -5.853 1.00 0.00 N ATOM 987 CA MET A 62 0.304 9.478 -7.199 1.00 0.00 C ATOM 988 C MET A 62 0.551 10.576 -8.229 1.00 0.00 C ATOM 989 O MET A 62 1.292 10.381 -9.191 1.00 0.00 O ATOM 990 CB MET A 62 -0.987 8.722 -7.545 1.00 0.00 C ATOM 991 CG MET A 62 -2.209 9.531 -7.100 1.00 0.00 C ATOM 992 SD MET A 62 -3.654 9.010 -8.057 1.00 0.00 S ATOM 993 CE MET A 62 -4.172 7.663 -6.964 1.00 0.00 C ATOM 0 H MET A 62 -0.689 9.985 -5.413 1.00 0.00 H new ATOM 0 HA MET A 62 1.138 8.777 -7.222 1.00 0.00 H new ATOM 0 HB2 MET A 62 -1.034 8.540 -8.619 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.989 7.748 -7.056 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.390 9.381 -6.036 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.027 10.596 -7.246 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.832 6.987 -7.507 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.294 7.115 -6.620 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.702 8.075 -6.105 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.068 11.734 -8.019 1.00 0.00 N ATOM 1004 CA LYS A 63 0.106 12.853 -8.937 1.00 0.00 C ATOM 1005 C LYS A 63 1.581 13.232 -9.008 1.00 0.00 C ATOM 1006 O LYS A 63 2.124 13.473 -10.086 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.724 14.053 -8.462 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.425 15.291 -9.320 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.602 14.959 -10.809 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.796 16.250 -11.608 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.090 16.883 -11.226 1.00 0.00 N ATOM 0 H LYS A 63 -0.688 11.920 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.236 12.560 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.786 13.813 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.500 14.266 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.092 16.106 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.593 15.634 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.271 14.420 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.462 14.303 -10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.028 16.937 -11.414 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.786 16.034 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.472 17.410 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.767 16.146 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.936 17.536 -10.431 1.00 0.00 H new ATOM 1025 N TYR A 64 2.223 13.266 -7.847 1.00 0.00 N ATOM 1026 CA TYR A 64 3.639 13.601 -7.771 1.00 0.00 C ATOM 1027 C TYR A 64 4.450 12.552 -8.539 1.00 0.00 C ATOM 1028 O TYR A 64 5.466 12.870 -9.158 1.00 0.00 O ATOM 1029 CB TYR A 64 4.052 13.682 -6.276 1.00 0.00 C ATOM 1030 CG TYR A 64 5.403 13.033 -6.022 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.525 13.445 -6.751 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.527 12.021 -5.059 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.770 12.848 -6.516 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.771 11.427 -4.824 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.893 11.840 -5.552 1.00 0.00 C ATOM 1036 OH TYR A 64 9.120 11.252 -5.320 1.00 0.00 O ATOM 0 H TYR A 64 1.787 13.066 -6.947 1.00 0.00 H new ATOM 0 HA TYR A 64 3.837 14.569 -8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.088 14.726 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.294 13.193 -5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.431 14.223 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.661 11.700 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.636 13.165 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.866 10.649 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 64 9.030 10.573 -4.619 1.00 0.00 H new ATOM 1046 N LEU A 65 3.986 11.309 -8.496 1.00 0.00 N ATOM 1047 CA LEU A 65 4.666 10.223 -9.192 1.00 0.00 C ATOM 1048 C LEU A 65 4.419 10.322 -10.695 1.00 0.00 C ATOM 1049 O LEU A 65 5.158 9.753 -11.496 1.00 0.00 O ATOM 1050 CB LEU A 65 4.162 8.868 -8.662 1.00 0.00 C ATOM 1051 CG LEU A 65 4.871 8.525 -7.330 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.971 7.623 -6.469 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.207 7.808 -7.618 1.00 0.00 C ATOM 0 H LEU A 65 3.146 11.029 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 65 5.738 10.302 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.083 8.906 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.353 8.086 -9.397 1.00 0.00 H new ATOM 0 HG LEU A 65 5.069 9.449 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.480 7.388 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.036 8.141 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.758 6.700 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.702 7.569 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.015 6.888 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.849 8.460 -8.210 1.00 0.00 H new ATOM 1065 N ASP A 66 3.375 11.050 -11.063 1.00 0.00 N ATOM 1066 CA ASP A 66 3.031 11.222 -12.469 1.00 0.00 C ATOM 1067 C ASP A 66 4.035 12.141 -13.161 1.00 0.00 C ATOM 1068 O ASP A 66 4.327 11.976 -14.346 1.00 0.00 O ATOM 1069 CB ASP A 66 1.623 11.814 -12.579 1.00 0.00 C ATOM 1070 CG ASP A 66 1.042 11.547 -13.965 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.732 10.402 -14.245 1.00 0.00 O ATOM 1072 OD2 ASP A 66 0.917 12.494 -14.725 1.00 0.00 O ATOM 0 H ASP A 66 2.753 11.530 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 66 3.060 10.249 -12.960 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.977 11.378 -11.817 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.657 12.887 -12.392 1.00 0.00 H new ATOM 1077 N GLN A 67 4.553 13.110 -12.416 1.00 0.00 N ATOM 1078 CA GLN A 67 5.518 14.054 -12.968 1.00 0.00 C ATOM 1079 C GLN A 67 6.800 13.339 -13.385 1.00 0.00 C ATOM 1080 O GLN A 67 7.250 13.466 -14.523 1.00 0.00 O ATOM 1081 CB GLN A 67 5.844 15.128 -11.930 1.00 0.00 C ATOM 1082 CG GLN A 67 4.557 15.841 -11.516 1.00 0.00 C ATOM 1083 CD GLN A 67 4.039 16.696 -12.668 1.00 0.00 C ATOM 1084 OE1 GLN A 67 4.656 17.702 -13.020 1.00 0.00 O ATOM 1085 NE2 GLN A 67 2.939 16.354 -13.279 1.00 0.00 N ATOM 0 H GLN A 67 4.323 13.263 -11.434 1.00 0.00 H new ATOM 0 HA GLN A 67 5.077 14.519 -13.850 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.318 14.676 -11.059 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.553 15.845 -12.343 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.803 15.109 -11.228 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.743 16.467 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.430 15.520 -12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.587 16.920 -14.051 1.00 0.00 H new ATOM 1094 N LYS A 68 7.386 12.591 -12.456 1.00 0.00 N ATOM 1095 CA LYS A 68 8.620 11.866 -12.743 1.00 0.00 C ATOM 1096 C LYS A 68 8.336 10.631 -13.594 1.00 0.00 C ATOM 1097 O LYS A 68 9.145 10.254 -14.443 1.00 0.00 O ATOM 1098 CB LYS A 68 9.305 11.450 -11.438 1.00 0.00 C ATOM 1099 CG LYS A 68 8.348 10.604 -10.593 1.00 0.00 C ATOM 1100 CD LYS A 68 8.857 10.536 -9.149 1.00 0.00 C ATOM 1101 CE LYS A 68 10.202 9.806 -9.103 1.00 0.00 C ATOM 1102 NZ LYS A 68 11.288 10.736 -9.528 1.00 0.00 N ATOM 0 H LYS A 68 7.032 12.471 -11.507 1.00 0.00 H new ATOM 0 HA LYS A 68 9.283 12.528 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.209 10.882 -11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.611 12.335 -10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.348 11.036 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.271 9.600 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.966 11.543 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.131 10.018 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.395 9.441 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.178 8.935 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.594 10.495 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.934 11.714 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.094 10.649 -8.877 1.00 0.00 H new ATOM 1116 N SER A 69 7.185 10.006 -13.366 1.00 0.00 N ATOM 1117 CA SER A 69 6.812 8.818 -14.127 1.00 0.00 C ATOM 1118 C SER A 69 7.846 7.704 -13.936 1.00 0.00 C ATOM 1119 O SER A 69 8.763 7.566 -14.745 1.00 0.00 O ATOM 1120 CB SER A 69 6.718 9.169 -15.612 1.00 0.00 C ATOM 1121 OG SER A 69 6.030 10.403 -15.761 1.00 0.00 O ATOM 0 H SER A 69 6.501 10.298 -12.668 1.00 0.00 H new ATOM 0 HA SER A 69 5.846 8.466 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.716 9.242 -16.044 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.194 8.380 -16.151 1.00 0.00 H new ATOM 0 HG SER A 69 5.429 10.537 -14.999 1.00 0.00 H new ATOM 1127 N PRO A 70 7.728 6.914 -12.893 1.00 0.00 N ATOM 1128 CA PRO A 70 8.686 5.807 -12.621 1.00 0.00 C ATOM 1129 C PRO A 70 8.368 4.557 -13.441 1.00 0.00 C ATOM 1130 O PRO A 70 8.796 3.454 -13.101 1.00 0.00 O ATOM 1131 CB PRO A 70 8.507 5.557 -11.120 1.00 0.00 C ATOM 1132 CG PRO A 70 7.074 5.894 -10.846 1.00 0.00 C ATOM 1133 CD PRO A 70 6.675 6.983 -11.859 1.00 0.00 C ATOM 0 HA PRO A 70 9.710 6.058 -12.897 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.726 4.521 -10.862 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.180 6.181 -10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.441 5.013 -10.955 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.949 6.251 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.688 6.793 -12.281 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.638 7.967 -11.393 1.00 0.00 H new ATOM 1368 N ASP B 218 8.779 10.608 11.982 1.00 0.00 N ATOM 1369 CA ASP B 218 9.641 11.703 12.433 1.00 0.00 C ATOM 1370 C ASP B 218 10.987 11.159 12.902 1.00 0.00 C ATOM 1371 O ASP B 218 12.006 11.847 12.827 1.00 0.00 O ATOM 1372 CB ASP B 218 8.968 12.460 13.584 1.00 0.00 C ATOM 1373 CG ASP B 218 7.852 13.355 13.051 1.00 0.00 C ATOM 1374 OD1 ASP B 218 7.802 13.558 11.848 1.00 0.00 O ATOM 1375 OD2 ASP B 218 7.065 13.825 13.854 1.00 0.00 O ATOM 0 HA ASP B 218 9.803 12.383 11.597 1.00 0.00 H new ATOM 0 HB2 ASP B 218 8.561 11.751 14.305 1.00 0.00 H new ATOM 0 HB3 ASP B 218 9.706 13.064 14.112 1.00 0.00 H new ATOM 1380 N ASP B 219 10.984 9.923 13.390 1.00 0.00 N ATOM 1381 CA ASP B 219 12.212 9.301 13.872 1.00 0.00 C ATOM 1382 C ASP B 219 13.122 8.929 12.705 1.00 0.00 C ATOM 1383 O ASP B 219 14.345 8.923 12.840 1.00 0.00 O ATOM 1384 CB ASP B 219 11.878 8.046 14.682 1.00 0.00 C ATOM 1385 CG ASP B 219 11.268 8.438 16.022 1.00 0.00 C ATOM 1386 OD1 ASP B 219 11.820 9.314 16.668 1.00 0.00 O ATOM 1387 OD2 ASP B 219 10.258 7.858 16.383 1.00 0.00 O ATOM 0 H ASP B 219 10.153 9.336 13.462 1.00 0.00 H new ATOM 0 HA ASP B 219 12.733 10.017 14.508 1.00 0.00 H new ATOM 0 HB2 ASP B 219 11.182 7.419 14.126 1.00 0.00 H new ATOM 0 HB3 ASP B 219 12.780 7.456 14.842 1.00 0.00 H new ATOM 1392 N VAL B 220 12.515 8.620 11.564 1.00 0.00 N ATOM 1393 CA VAL B 220 13.277 8.246 10.375 1.00 0.00 C ATOM 1394 C VAL B 220 14.084 6.978 10.634 1.00 0.00 C ATOM 1395 O VAL B 220 13.771 5.914 10.100 1.00 0.00 O ATOM 1396 CB VAL B 220 14.220 9.384 9.976 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.725 9.153 8.549 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.467 10.715 10.039 1.00 0.00 C ATOM 0 H VAL B 220 11.503 8.621 11.436 1.00 0.00 H new ATOM 0 HA VAL B 220 12.576 8.057 9.562 1.00 0.00 H new ATOM 0 HB VAL B 220 15.067 9.411 10.662 1.00 0.00 H new ATOM 0 HG11 VAL B 220 15.396 9.963 8.265 1.00 0.00 H new ATOM 0 HG12 VAL B 220 15.260 8.205 8.502 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.878 9.126 7.863 1.00 0.00 H new ATOM 0 HG21 VAL B 220 14.137 11.526 9.755 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.620 10.687 9.353 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.106 10.881 11.054 1.00 0.00 H new ATOM 1408 N GLY B 221 15.119 7.096 11.459 1.00 0.00 N ATOM 1409 CA GLY B 221 15.960 5.948 11.783 1.00 0.00 C ATOM 1410 C GLY B 221 15.105 4.749 12.182 1.00 0.00 C ATOM 1411 O GLY B 221 15.601 3.626 12.282 1.00 0.00 O ATOM 0 H GLY B 221 15.395 7.967 11.913 1.00 0.00 H new ATOM 0 HA2 GLY B 221 16.579 5.690 10.923 1.00 0.00 H new ATOM 0 HA3 GLY B 221 16.637 6.205 12.597 1.00 0.00 H new ATOM 1415 N LEU B 222 13.818 4.996 12.407 1.00 0.00 N ATOM 1416 CA LEU B 222 12.894 3.934 12.793 1.00 0.00 C ATOM 1417 C LEU B 222 13.142 2.676 11.964 1.00 0.00 C ATOM 1418 O LEU B 222 13.052 1.558 12.470 1.00 0.00 O ATOM 1419 CB LEU B 222 11.450 4.407 12.586 1.00 0.00 C ATOM 1420 CG LEU B 222 10.471 3.487 13.349 1.00 0.00 C ATOM 1421 CD1 LEU B 222 10.327 3.956 14.804 1.00 0.00 C ATOM 1422 CD2 LEU B 222 9.094 3.529 12.672 1.00 0.00 C ATOM 0 H LEU B 222 13.392 5.919 12.329 1.00 0.00 H new ATOM 0 HA LEU B 222 13.057 3.697 13.844 1.00 0.00 H new ATOM 0 HB2 LEU B 222 11.343 5.434 12.936 1.00 0.00 H new ATOM 0 HB3 LEU B 222 11.208 4.405 11.523 1.00 0.00 H new ATOM 0 HG LEU B 222 10.862 2.470 13.335 1.00 0.00 H new ATOM 0 HD11 LEU B 222 9.635 3.300 15.331 1.00 0.00 H new ATOM 0 HD12 LEU B 222 11.300 3.926 15.294 1.00 0.00 H new ATOM 0 HD13 LEU B 222 9.944 4.976 14.821 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.404 2.880 13.211 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.714 4.551 12.683 1.00 0.00 H new ATOM 0 HD23 LEU B 222 9.185 3.186 11.641 1.00 0.00 H new ATOM 1434 N LEU B 223 13.455 2.870 10.686 1.00 0.00 N ATOM 1435 CA LEU B 223 13.713 1.748 9.791 1.00 0.00 C ATOM 1436 C LEU B 223 14.634 0.731 10.461 1.00 0.00 C ATOM 1437 O LEU B 223 14.410 -0.453 10.276 1.00 0.00 O ATOM 1438 CB LEU B 223 14.362 2.256 8.497 1.00 0.00 C ATOM 1439 CG LEU B 223 14.383 1.136 7.433 1.00 0.00 C ATOM 1440 CD1 LEU B 223 13.042 1.082 6.689 1.00 0.00 C ATOM 1441 CD2 LEU B 223 15.500 1.410 6.421 1.00 0.00 C ATOM 1442 OXT LEU B 223 15.549 1.153 11.149 1.00 0.00 O ATOM 0 H LEU B 223 13.536 3.788 10.249 1.00 0.00 H new ATOM 0 HA LEU B 223 12.765 1.263 9.558 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.810 3.116 8.119 1.00 0.00 H new ATOM 0 HB3 LEU B 223 15.378 2.594 8.700 1.00 0.00 H new ATOM 0 HG LEU B 223 14.557 0.184 7.934 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.072 0.288 5.943 1.00 0.00 H new ATOM 0 HD12 LEU B 223 12.240 0.882 7.399 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.861 2.037 6.196 1.00 0.00 H new ATOM 0 HD21 LEU B 223 15.514 0.619 5.671 1.00 0.00 H new ATOM 0 HD22 LEU B 223 15.323 2.369 5.934 1.00 0.00 H new ATOM 0 HD23 LEU B 223 16.460 1.437 6.937 1.00 0.00 H new