USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 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 Set 1.1: A 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.728 K(o=-0.73,f=-1.5!) USER MOD Single : A 15 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -1.33 (180deg=-3.53!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.652 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -51:sc= 0.964 USER MOD Single : A 34 CYS SG : rot 20:sc= 0.213 USER MOD Single : A 36 GLN : amide:sc= -2.56! X(o=-2.6!,f=-2.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -3.86! (180deg=-6.87!) USER MOD Single : A 43 THR OG1 : rot 91:sc= -3.4! USER MOD Single : A 44 LYS NZ :NH3+ 161:sc=-0.00426 (180deg=-0.225) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.23 (180deg=-1.32!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 141:sc= -1.53! (180deg=-5.18!) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.287 (180deg=-1.43!) USER MOD Single : A 56 LYS NZ :NH3+ 147:sc= -0.288 (180deg=-1.42!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 103:sc= -1.76! USER MOD Single : A 62 MET CE :methyl 173:sc= -0.697 (180deg=-0.797) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.12 (180deg=-0.633) USER MOD Single : A 67 GLN : amide:sc= -1.3! K(o=-1.3!,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -5.917 -2.163 6.184 1.00 0.00 N ATOM 144 CA ASN A 12 -6.834 -1.043 6.012 1.00 0.00 C ATOM 145 C ASN A 12 -6.075 0.185 5.517 1.00 0.00 C ATOM 146 O ASN A 12 -4.864 0.138 5.300 1.00 0.00 O ATOM 147 CB ASN A 12 -7.570 -0.726 7.332 1.00 0.00 C ATOM 148 CG ASN A 12 -6.767 -1.242 8.523 1.00 0.00 C ATOM 149 OD1 ASN A 12 -5.537 -1.197 8.510 1.00 0.00 O ATOM 150 ND2 ASN A 12 -7.394 -1.732 9.557 1.00 0.00 N ATOM 0 HA ASN A 12 -7.580 -1.320 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -7.719 0.350 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.558 -1.185 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.865 -2.079 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.413 -1.768 9.565 1.00 0.00 H new ATOM 157 N LEU A 13 -6.805 1.276 5.339 1.00 0.00 N ATOM 158 CA LEU A 13 -6.211 2.517 4.863 1.00 0.00 C ATOM 159 C LEU A 13 -5.321 3.132 5.936 1.00 0.00 C ATOM 160 O LEU A 13 -5.540 2.928 7.130 1.00 0.00 O ATOM 161 CB LEU A 13 -7.315 3.507 4.475 1.00 0.00 C ATOM 162 CG LEU A 13 -8.458 2.755 3.791 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.525 3.749 3.315 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.907 1.975 2.593 1.00 0.00 C ATOM 0 H LEU A 13 -7.808 1.328 5.517 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.599 2.295 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.684 4.022 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.916 4.269 3.806 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.910 2.062 4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.336 3.207 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.918 4.299 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.081 4.449 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.720 1.438 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.452 2.668 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.157 1.263 2.936 1.00 0.00 H new ATOM 176 N ALA A 14 -4.320 3.888 5.503 1.00 0.00 N ATOM 177 CA ALA A 14 -3.409 4.533 6.436 1.00 0.00 C ATOM 178 C ALA A 14 -4.181 5.478 7.349 1.00 0.00 C ATOM 179 O ALA A 14 -5.326 5.210 7.708 1.00 0.00 O ATOM 180 CB ALA A 14 -2.338 5.310 5.666 1.00 0.00 C ATOM 0 H ALA A 14 -4.120 4.068 4.519 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.925 3.769 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.660 5.790 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.776 4.624 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.815 6.070 5.046 1.00 0.00 H new ATOM 186 N ASN A 15 -3.552 6.588 7.717 1.00 0.00 N ATOM 187 CA ASN A 15 -4.199 7.564 8.583 1.00 0.00 C ATOM 188 C ASN A 15 -3.486 8.908 8.494 1.00 0.00 C ATOM 189 O ASN A 15 -3.911 9.888 9.106 1.00 0.00 O ATOM 190 CB ASN A 15 -4.187 7.071 10.034 1.00 0.00 C ATOM 191 CG ASN A 15 -5.206 5.951 10.214 1.00 0.00 C ATOM 192 OD1 ASN A 15 -4.834 4.781 10.305 1.00 0.00 O ATOM 193 ND2 ASN A 15 -6.477 6.240 10.273 1.00 0.00 N ATOM 0 H ASN A 15 -2.604 6.833 7.432 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.231 7.687 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.191 6.713 10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.418 7.895 10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.164 5.496 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.784 7.210 10.197 1.00 0.00 H new ATOM 200 N ARG A 16 -2.398 8.947 7.729 1.00 0.00 N ATOM 201 CA ARG A 16 -1.628 10.178 7.564 1.00 0.00 C ATOM 202 C ARG A 16 -0.968 10.220 6.190 1.00 0.00 C ATOM 203 O ARG A 16 -1.254 9.392 5.325 1.00 0.00 O ATOM 204 CB ARG A 16 -0.557 10.274 8.652 1.00 0.00 C ATOM 205 CG ARG A 16 -1.227 10.352 10.028 1.00 0.00 C ATOM 206 CD ARG A 16 -0.216 10.838 11.067 1.00 0.00 C ATOM 207 NE ARG A 16 -0.722 10.597 12.414 1.00 0.00 N ATOM 208 CZ ARG A 16 -1.725 11.315 12.910 1.00 0.00 C ATOM 209 NH1 ARG A 16 -2.274 12.254 12.190 1.00 0.00 N ATOM 210 NH2 ARG A 16 -2.160 11.080 14.117 1.00 0.00 N ATOM 0 H ARG A 16 -2.031 8.146 7.216 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.310 11.024 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.101 9.407 8.606 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.064 11.155 8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.079 11.031 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.612 9.373 10.312 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.734 10.322 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.024 11.902 10.928 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.299 9.865 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.934 12.438 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.044 12.805 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.731 10.346 14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.929 11.631 14.498 1.00 0.00 H new ATOM 224 N LYS A 17 -0.087 11.200 5.995 1.00 0.00 N ATOM 225 CA LYS A 17 0.611 11.361 4.720 1.00 0.00 C ATOM 226 C LYS A 17 1.931 10.590 4.719 1.00 0.00 C ATOM 227 O LYS A 17 2.784 10.797 5.582 1.00 0.00 O ATOM 228 CB LYS A 17 0.879 12.852 4.470 1.00 0.00 C ATOM 229 CG LYS A 17 1.831 13.030 3.279 1.00 0.00 C ATOM 230 CD LYS A 17 1.720 14.457 2.735 1.00 0.00 C ATOM 231 CE LYS A 17 2.751 14.665 1.624 1.00 0.00 C ATOM 232 NZ LYS A 17 4.110 14.332 2.139 1.00 0.00 N ATOM 0 H LYS A 17 0.160 11.893 6.701 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.018 10.961 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.060 13.369 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.312 13.305 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.856 12.828 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.587 12.312 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.715 14.633 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.885 15.176 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.511 14.035 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.725 15.698 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.827 14.833 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.185 14.624 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.267 13.306 2.066 1.00 0.00 H new ATOM 246 N ILE A 18 2.095 9.716 3.730 1.00 0.00 N ATOM 247 CA ILE A 18 3.321 8.936 3.607 1.00 0.00 C ATOM 248 C ILE A 18 4.433 9.855 3.066 1.00 0.00 C ATOM 249 O ILE A 18 4.177 10.655 2.165 1.00 0.00 O ATOM 250 CB ILE A 18 3.064 7.739 2.642 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.714 6.454 3.433 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.266 7.479 1.716 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.935 5.872 4.175 1.00 0.00 C ATOM 0 H ILE A 18 1.399 9.531 3.007 1.00 0.00 H new ATOM 0 HA ILE A 18 3.631 8.539 4.574 1.00 0.00 H new ATOM 0 HB ILE A 18 2.213 8.012 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.926 6.676 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.317 5.705 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.045 6.637 1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.460 8.367 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.146 7.249 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.638 4.972 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.714 5.623 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.317 6.609 4.881 1.00 0.00 H new ATOM 265 N PRO A 19 5.646 9.771 3.569 1.00 0.00 N ATOM 266 CA PRO A 19 6.762 10.637 3.073 1.00 0.00 C ATOM 267 C PRO A 19 7.088 10.341 1.606 1.00 0.00 C ATOM 268 O PRO A 19 7.190 9.182 1.204 1.00 0.00 O ATOM 269 CB PRO A 19 7.934 10.289 4.006 1.00 0.00 C ATOM 270 CG PRO A 19 7.623 8.921 4.511 1.00 0.00 C ATOM 271 CD PRO A 19 6.106 8.869 4.644 1.00 0.00 C ATOM 0 HA PRO A 19 6.518 11.699 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.884 10.307 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.014 11.004 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.983 8.157 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.107 8.738 5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.724 7.857 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.775 9.209 5.625 1.00 0.00 H new ATOM 279 N LEU A 20 7.226 11.399 0.812 1.00 0.00 N ATOM 280 CA LEU A 20 7.514 11.248 -0.613 1.00 0.00 C ATOM 281 C LEU A 20 8.947 10.757 -0.852 1.00 0.00 C ATOM 282 O LEU A 20 9.237 10.164 -1.890 1.00 0.00 O ATOM 283 CB LEU A 20 7.283 12.592 -1.334 1.00 0.00 C ATOM 284 CG LEU A 20 5.803 12.728 -1.723 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.932 12.683 -0.468 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.581 14.056 -2.449 1.00 0.00 C ATOM 0 H LEU A 20 7.144 12.365 1.128 1.00 0.00 H new ATOM 0 HA LEU A 20 6.838 10.495 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.575 13.418 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.909 12.649 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 20 5.530 11.904 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.883 12.780 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.084 11.734 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.207 13.503 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.530 14.149 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.859 14.880 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.195 14.086 -3.349 1.00 0.00 H new ATOM 298 N GLN A 21 9.839 11.019 0.096 1.00 0.00 N ATOM 299 CA GLN A 21 11.235 10.606 -0.051 1.00 0.00 C ATOM 300 C GLN A 21 11.372 9.082 -0.095 1.00 0.00 C ATOM 301 O GLN A 21 12.189 8.549 -0.847 1.00 0.00 O ATOM 302 CB GLN A 21 12.070 11.166 1.107 1.00 0.00 C ATOM 303 CG GLN A 21 11.317 10.985 2.424 1.00 0.00 C ATOM 304 CD GLN A 21 12.241 11.285 3.599 1.00 0.00 C ATOM 305 OE1 GLN A 21 13.111 10.479 3.929 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.105 12.406 4.254 1.00 0.00 N ATOM 0 H GLN A 21 9.628 11.509 0.965 1.00 0.00 H new ATOM 0 HA GLN A 21 11.601 11.004 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.032 10.655 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.279 12.223 0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.452 11.648 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.939 9.965 2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.384 13.073 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.720 12.615 5.040 1.00 0.00 H new ATOM 315 N ARG A 22 10.587 8.384 0.723 1.00 0.00 N ATOM 316 CA ARG A 22 10.650 6.921 0.776 1.00 0.00 C ATOM 317 C ARG A 22 9.733 6.286 -0.269 1.00 0.00 C ATOM 318 O ARG A 22 10.148 5.396 -1.012 1.00 0.00 O ATOM 319 CB ARG A 22 10.239 6.450 2.176 1.00 0.00 C ATOM 320 CG ARG A 22 11.266 6.945 3.229 1.00 0.00 C ATOM 321 CD ARG A 22 10.553 7.373 4.521 1.00 0.00 C ATOM 322 NE ARG A 22 11.469 7.290 5.653 1.00 0.00 N ATOM 323 CZ ARG A 22 11.017 7.211 6.900 1.00 0.00 C ATOM 324 NH1 ARG A 22 9.732 7.208 7.129 1.00 0.00 N ATOM 325 NH2 ARG A 22 11.857 7.138 7.895 1.00 0.00 N ATOM 0 H ARG A 22 9.904 8.802 1.355 1.00 0.00 H new ATOM 0 HA ARG A 22 11.672 6.612 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.246 6.829 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.179 5.362 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.981 6.152 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.833 7.784 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.181 8.392 4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.688 6.734 4.696 1.00 0.00 H new ATOM 0 HE ARG A 22 12.475 7.293 5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.075 7.266 6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.385 7.147 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.861 7.142 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.510 7.077 8.852 1.00 0.00 H new ATOM 339 N LEU A 23 8.487 6.747 -0.313 1.00 0.00 N ATOM 340 CA LEU A 23 7.498 6.228 -1.262 1.00 0.00 C ATOM 341 C LEU A 23 8.155 5.921 -2.613 1.00 0.00 C ATOM 342 O LEU A 23 8.945 6.713 -3.126 1.00 0.00 O ATOM 343 CB LEU A 23 6.361 7.274 -1.385 1.00 0.00 C ATOM 344 CG LEU A 23 5.592 7.212 -2.727 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.445 7.776 -3.894 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.107 5.770 -3.029 1.00 0.00 C ATOM 0 H LEU A 23 8.133 7.482 0.299 1.00 0.00 H new ATOM 0 HA LEU A 23 7.078 5.287 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.656 7.127 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.784 8.271 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 23 4.710 7.845 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.876 7.718 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.700 8.816 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.359 7.191 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.570 5.758 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.966 5.102 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.443 5.435 -2.232 1.00 0.00 H new ATOM 358 N GLU A 24 7.834 4.753 -3.176 1.00 0.00 N ATOM 359 CA GLU A 24 8.400 4.331 -4.464 1.00 0.00 C ATOM 360 C GLU A 24 7.363 4.463 -5.582 1.00 0.00 C ATOM 361 O GLU A 24 7.542 5.244 -6.517 1.00 0.00 O ATOM 362 CB GLU A 24 8.865 2.876 -4.371 1.00 0.00 C ATOM 363 CG GLU A 24 9.337 2.396 -5.746 1.00 0.00 C ATOM 364 CD GLU A 24 10.132 1.103 -5.601 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.627 0.187 -4.972 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.235 1.046 -6.120 1.00 0.00 O ATOM 0 H GLU A 24 7.186 4.082 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 24 9.248 4.976 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.675 2.789 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.050 2.246 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.479 2.234 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.954 3.162 -6.216 1.00 0.00 H new ATOM 373 N SER A 25 6.278 3.696 -5.476 1.00 0.00 N ATOM 374 CA SER A 25 5.214 3.734 -6.480 1.00 0.00 C ATOM 375 C SER A 25 3.885 3.298 -5.866 1.00 0.00 C ATOM 376 O SER A 25 3.846 2.829 -4.729 1.00 0.00 O ATOM 377 CB SER A 25 5.566 2.811 -7.647 1.00 0.00 C ATOM 378 OG SER A 25 4.395 2.553 -8.412 1.00 0.00 O ATOM 0 H SER A 25 6.113 3.044 -4.709 1.00 0.00 H new ATOM 0 HA SER A 25 5.116 4.757 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.329 3.273 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.983 1.876 -7.273 1.00 0.00 H new ATOM 0 HG SER A 25 4.618 1.963 -9.162 1.00 0.00 H new ATOM 384 N TYR A 26 2.792 3.453 -6.624 1.00 0.00 N ATOM 385 CA TYR A 26 1.458 3.069 -6.139 1.00 0.00 C ATOM 386 C TYR A 26 0.930 1.854 -6.904 1.00 0.00 C ATOM 387 O TYR A 26 1.416 1.528 -7.987 1.00 0.00 O ATOM 388 CB TYR A 26 0.480 4.243 -6.287 1.00 0.00 C ATOM 389 CG TYR A 26 0.131 4.455 -7.743 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.998 5.173 -8.572 1.00 0.00 C ATOM 391 CD2 TYR A 26 -1.059 3.930 -8.259 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.676 5.370 -9.919 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.383 4.124 -9.607 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.515 4.846 -10.438 1.00 0.00 C ATOM 395 OH TYR A 26 -0.833 5.037 -11.767 1.00 0.00 O ATOM 0 H TYR A 26 2.803 3.838 -7.568 1.00 0.00 H new ATOM 0 HA TYR A 26 1.543 2.805 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.426 4.045 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.925 5.150 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.917 5.576 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.727 3.375 -7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.345 5.926 -10.559 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.301 3.718 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.692 4.608 -11.963 1.00 0.00 H new ATOM 405 N ARG A 27 -0.073 1.190 -6.330 1.00 0.00 N ATOM 406 CA ARG A 27 -0.671 0.012 -6.958 1.00 0.00 C ATOM 407 C ARG A 27 -2.100 -0.186 -6.458 1.00 0.00 C ATOM 408 O ARG A 27 -2.391 0.037 -5.286 1.00 0.00 O ATOM 409 CB ARG A 27 0.154 -1.237 -6.628 1.00 0.00 C ATOM 410 CG ARG A 27 -0.311 -2.430 -7.499 1.00 0.00 C ATOM 411 CD ARG A 27 -0.216 -3.735 -6.700 1.00 0.00 C ATOM 412 NE ARG A 27 1.115 -3.876 -6.119 1.00 0.00 N ATOM 413 CZ ARG A 27 1.473 -4.988 -5.482 1.00 0.00 C ATOM 414 NH1 ARG A 27 0.627 -5.976 -5.369 1.00 0.00 N ATOM 415 NH2 ARG A 27 2.669 -5.090 -4.971 1.00 0.00 N ATOM 0 H ARG A 27 -0.487 1.447 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.683 0.166 -8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.212 -1.040 -6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.046 -1.484 -5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.337 -2.271 -7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.305 -2.498 -8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.968 -3.742 -5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.429 -4.584 -7.350 1.00 0.00 H new ATOM 0 HE ARG A 27 1.782 -3.109 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.308 -5.895 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.901 -6.829 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.329 -4.318 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.944 -5.942 -4.483 1.00 0.00 H new ATOM 429 N ARG A 28 -2.994 -0.603 -7.353 1.00 0.00 N ATOM 430 CA ARG A 28 -4.396 -0.819 -6.985 1.00 0.00 C ATOM 431 C ARG A 28 -4.638 -2.275 -6.579 1.00 0.00 C ATOM 432 O ARG A 28 -3.988 -3.190 -7.086 1.00 0.00 O ATOM 433 CB ARG A 28 -5.302 -0.435 -8.178 1.00 0.00 C ATOM 434 CG ARG A 28 -6.567 0.278 -7.681 1.00 0.00 C ATOM 435 CD ARG A 28 -7.547 0.454 -8.843 1.00 0.00 C ATOM 436 NE ARG A 28 -7.036 1.442 -9.788 1.00 0.00 N ATOM 437 CZ ARG A 28 -7.715 1.757 -10.886 1.00 0.00 C ATOM 438 NH1 ARG A 28 -8.859 1.180 -11.134 1.00 0.00 N ATOM 439 NH2 ARG A 28 -7.238 2.644 -11.716 1.00 0.00 N ATOM 0 H ARG A 28 -2.777 -0.797 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.637 -0.190 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.756 0.214 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.577 -1.330 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.033 -0.300 -6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.308 1.250 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.698 -0.500 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.519 0.771 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.143 1.898 -9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.232 0.487 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.380 1.422 -11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.344 3.095 -11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.759 2.886 -12.559 1.00 0.00 H new ATOM 453 N ILE A 29 -5.587 -2.475 -5.660 1.00 0.00 N ATOM 454 CA ILE A 29 -5.934 -3.821 -5.177 1.00 0.00 C ATOM 455 C ILE A 29 -7.289 -4.239 -5.756 1.00 0.00 C ATOM 456 O ILE A 29 -7.358 -5.083 -6.649 1.00 0.00 O ATOM 457 CB ILE A 29 -5.971 -3.852 -3.614 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.761 -2.424 -3.073 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.867 -4.780 -3.080 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.877 -2.379 -1.540 1.00 0.00 C ATOM 0 H ILE A 29 -6.130 -1.724 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.172 -4.526 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.938 -4.230 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.779 -2.060 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.499 -1.754 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.900 -4.796 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.023 -5.789 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.894 -4.414 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.723 -1.357 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.868 -2.719 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.122 -3.029 -1.099 1.00 0.00 H new ATOM 472 N THR A 30 -8.357 -3.639 -5.241 1.00 0.00 N ATOM 473 CA THR A 30 -9.703 -3.951 -5.713 1.00 0.00 C ATOM 474 C THR A 30 -9.941 -5.458 -5.699 1.00 0.00 C ATOM 475 O THR A 30 -9.026 -6.239 -5.438 1.00 0.00 O ATOM 476 CB THR A 30 -9.907 -3.410 -7.141 1.00 0.00 C ATOM 477 OG1 THR A 30 -9.597 -4.431 -8.079 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.994 -2.205 -7.385 1.00 0.00 C ATOM 0 H THR A 30 -8.319 -2.938 -4.501 1.00 0.00 H new ATOM 0 HA THR A 30 -10.418 -3.474 -5.042 1.00 0.00 H new ATOM 0 HB THR A 30 -10.945 -3.100 -7.259 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.715 -4.807 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.147 -1.832 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.230 -1.418 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.954 -2.506 -7.263 1.00 0.00 H new ATOM 526 N CYS A 34 -9.455 -6.977 0.994 1.00 0.00 N ATOM 527 CA CYS A 34 -9.065 -5.573 0.976 1.00 0.00 C ATOM 528 C CYS A 34 -10.311 -4.679 0.992 1.00 0.00 C ATOM 529 O CYS A 34 -11.355 -5.066 0.466 1.00 0.00 O ATOM 530 CB CYS A 34 -8.232 -5.287 -0.281 1.00 0.00 C ATOM 531 SG CYS A 34 -7.178 -6.712 -0.645 1.00 0.00 S ATOM 0 HA CYS A 34 -8.467 -5.357 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.889 -5.082 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.620 -4.398 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 34 -7.651 -7.765 -0.048 1.00 0.00 H new ATOM 536 N PRO A 35 -10.235 -3.501 1.568 1.00 0.00 N ATOM 537 CA PRO A 35 -11.398 -2.564 1.621 1.00 0.00 C ATOM 538 C PRO A 35 -11.633 -1.894 0.271 1.00 0.00 C ATOM 539 O PRO A 35 -10.856 -1.033 -0.140 1.00 0.00 O ATOM 540 CB PRO A 35 -10.975 -1.542 2.681 1.00 0.00 C ATOM 541 CG PRO A 35 -9.489 -1.490 2.563 1.00 0.00 C ATOM 542 CD PRO A 35 -9.049 -2.919 2.230 1.00 0.00 C ATOM 0 HA PRO A 35 -12.337 -3.064 1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.424 -0.566 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.285 -1.851 3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.182 -0.794 1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.034 -1.147 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.179 -2.928 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.778 -3.475 3.128 1.00 0.00 H new ATOM 550 N GLN A 36 -12.700 -2.301 -0.417 1.00 0.00 N ATOM 551 CA GLN A 36 -13.027 -1.744 -1.731 1.00 0.00 C ATOM 552 C GLN A 36 -11.757 -1.500 -2.547 1.00 0.00 C ATOM 553 O GLN A 36 -10.703 -2.061 -2.248 1.00 0.00 O ATOM 554 CB GLN A 36 -13.826 -0.436 -1.584 1.00 0.00 C ATOM 555 CG GLN A 36 -13.024 0.610 -0.795 1.00 0.00 C ATOM 556 CD GLN A 36 -13.713 1.966 -0.894 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.803 2.152 -0.352 1.00 0.00 O ATOM 558 NE2 GLN A 36 -13.139 2.933 -1.558 1.00 0.00 N ATOM 0 H GLN A 36 -13.352 -3.013 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.644 -2.469 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.073 -0.043 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.769 -0.636 -1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.942 0.308 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.009 0.677 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.236 2.778 -2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.594 3.843 -1.628 1.00 0.00 H new ATOM 567 N LYS A 37 -11.858 -0.661 -3.574 1.00 0.00 N ATOM 568 CA LYS A 37 -10.699 -0.357 -4.409 1.00 0.00 C ATOM 569 C LYS A 37 -9.884 0.769 -3.782 1.00 0.00 C ATOM 570 O LYS A 37 -10.440 1.764 -3.318 1.00 0.00 O ATOM 571 CB LYS A 37 -11.147 0.042 -5.818 1.00 0.00 C ATOM 572 CG LYS A 37 -12.144 1.203 -5.740 1.00 0.00 C ATOM 573 CD LYS A 37 -12.650 1.557 -7.151 1.00 0.00 C ATOM 574 CE LYS A 37 -13.802 0.628 -7.554 1.00 0.00 C ATOM 575 NZ LYS A 37 -14.393 1.102 -8.838 1.00 0.00 N ATOM 0 H LYS A 37 -12.718 -0.185 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.077 -1.249 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.283 0.333 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.607 -0.811 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.984 0.930 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.668 2.072 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.985 2.594 -7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.835 1.469 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.439 -0.394 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.563 0.614 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.175 0.474 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.753 2.070 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.664 1.093 -9.580 1.00 0.00 H new ATOM 589 N ALA A 38 -8.566 0.597 -3.754 1.00 0.00 N ATOM 590 CA ALA A 38 -7.691 1.602 -3.160 1.00 0.00 C ATOM 591 C ALA A 38 -6.262 1.459 -3.681 1.00 0.00 C ATOM 592 O ALA A 38 -5.794 0.355 -3.940 1.00 0.00 O ATOM 593 CB ALA A 38 -7.706 1.448 -1.635 1.00 0.00 C ATOM 0 H ALA A 38 -8.084 -0.219 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.056 2.591 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.053 2.197 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.722 1.585 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.353 0.452 -1.366 1.00 0.00 H new ATOM 599 N VAL A 39 -5.564 2.582 -3.819 1.00 0.00 N ATOM 600 CA VAL A 39 -4.185 2.547 -4.289 1.00 0.00 C ATOM 601 C VAL A 39 -3.265 2.177 -3.130 1.00 0.00 C ATOM 602 O VAL A 39 -3.595 2.426 -1.970 1.00 0.00 O ATOM 603 CB VAL A 39 -3.793 3.901 -4.883 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.844 4.333 -5.909 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.702 4.950 -3.774 1.00 0.00 C ATOM 0 H VAL A 39 -5.924 3.514 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.087 1.795 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.822 3.810 -5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.564 5.298 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.902 3.591 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.815 4.418 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.422 5.911 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.669 5.041 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.950 4.646 -3.046 1.00 0.00 H new ATOM 615 N ILE A 40 -2.128 1.551 -3.440 1.00 0.00 N ATOM 616 CA ILE A 40 -1.185 1.112 -2.404 1.00 0.00 C ATOM 617 C ILE A 40 0.197 1.726 -2.601 1.00 0.00 C ATOM 618 O ILE A 40 0.967 1.272 -3.445 1.00 0.00 O ATOM 619 CB ILE A 40 -1.071 -0.420 -2.453 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.398 -1.034 -2.003 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.055 -0.909 -1.531 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.391 -2.536 -2.292 1.00 0.00 C ATOM 0 H ILE A 40 -1.837 1.337 -4.394 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.563 1.442 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.842 -0.725 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.549 -0.859 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.227 -0.557 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.119 -1.996 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.002 -0.475 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.156 -0.604 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.337 -2.973 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.260 -2.700 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.571 -3.007 -1.750 1.00 0.00 H new ATOM 634 N PHE A 41 0.523 2.732 -1.791 1.00 0.00 N ATOM 635 CA PHE A 41 1.837 3.361 -1.875 1.00 0.00 C ATOM 636 C PHE A 41 2.853 2.527 -1.109 1.00 0.00 C ATOM 637 O PHE A 41 2.723 2.333 0.099 1.00 0.00 O ATOM 638 CB PHE A 41 1.803 4.769 -1.279 1.00 0.00 C ATOM 639 CG PHE A 41 0.730 5.585 -1.954 1.00 0.00 C ATOM 640 CD1 PHE A 41 0.901 6.017 -3.275 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.433 5.921 -1.256 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.092 6.783 -3.896 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.422 6.685 -1.873 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.254 7.117 -3.194 1.00 0.00 C ATOM 0 H PHE A 41 -0.095 3.123 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 41 2.119 3.426 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.611 4.715 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.773 5.251 -1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.800 5.759 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.566 5.588 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.039 7.115 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.320 6.944 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.022 7.708 -3.671 1.00 0.00 H new ATOM 654 N LYS A 42 3.871 2.038 -1.812 1.00 0.00 N ATOM 655 CA LYS A 42 4.911 1.228 -1.179 1.00 0.00 C ATOM 656 C LYS A 42 6.133 2.092 -0.889 1.00 0.00 C ATOM 657 O LYS A 42 6.358 3.106 -1.550 1.00 0.00 O ATOM 658 CB LYS A 42 5.300 0.065 -2.097 1.00 0.00 C ATOM 659 CG LYS A 42 5.358 0.553 -3.548 1.00 0.00 C ATOM 660 CD LYS A 42 6.108 -0.471 -4.406 1.00 0.00 C ATOM 661 CE LYS A 42 5.494 -1.862 -4.210 1.00 0.00 C ATOM 662 NZ LYS A 42 5.982 -2.442 -2.926 1.00 0.00 N ATOM 0 H LYS A 42 3.999 2.186 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 42 4.528 0.825 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.268 -0.338 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.575 -0.744 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.349 0.697 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.859 1.520 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.057 -0.186 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.163 -0.487 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.406 -1.793 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.765 -2.512 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.211 -3.447 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.834 -1.932 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.242 -2.352 -2.201 1.00 0.00 H new ATOM 676 N THR A 43 6.916 1.688 0.106 1.00 0.00 N ATOM 677 CA THR A 43 8.115 2.439 0.483 1.00 0.00 C ATOM 678 C THR A 43 9.220 1.477 0.914 1.00 0.00 C ATOM 679 O THR A 43 9.010 0.265 0.985 1.00 0.00 O ATOM 680 CB THR A 43 7.798 3.425 1.634 1.00 0.00 C ATOM 681 OG1 THR A 43 8.376 2.949 2.842 1.00 0.00 O ATOM 682 CG2 THR A 43 6.283 3.563 1.828 1.00 0.00 C ATOM 0 H THR A 43 6.746 0.851 0.664 1.00 0.00 H new ATOM 0 HA THR A 43 8.453 3.009 -0.382 1.00 0.00 H new ATOM 0 HB THR A 43 8.214 4.399 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.279 3.318 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.082 4.260 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.831 3.937 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.857 2.590 2.071 1.00 0.00 H new ATOM 690 N LYS A 44 10.395 2.025 1.201 1.00 0.00 N ATOM 691 CA LYS A 44 11.530 1.209 1.625 1.00 0.00 C ATOM 692 C LYS A 44 11.457 0.928 3.124 1.00 0.00 C ATOM 693 O LYS A 44 12.440 0.506 3.732 1.00 0.00 O ATOM 694 CB LYS A 44 12.842 1.931 1.305 1.00 0.00 C ATOM 695 CG LYS A 44 12.767 2.544 -0.095 1.00 0.00 C ATOM 696 CD LYS A 44 12.499 1.442 -1.125 1.00 0.00 C ATOM 697 CE LYS A 44 12.817 1.963 -2.527 1.00 0.00 C ATOM 698 NZ LYS A 44 14.296 2.017 -2.713 1.00 0.00 N ATOM 0 H LYS A 44 10.588 3.025 1.149 1.00 0.00 H new ATOM 0 HA LYS A 44 11.494 0.263 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.029 2.710 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.676 1.232 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.975 3.292 -0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.700 3.056 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.110 0.567 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.457 1.125 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.369 1.313 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.386 2.955 -2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.517 2.054 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.674 2.866 -2.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.730 1.169 -2.295 1.00 0.00 H new ATOM 712 N LEU A 45 10.289 1.165 3.713 1.00 0.00 N ATOM 713 CA LEU A 45 10.108 0.932 5.142 1.00 0.00 C ATOM 714 C LEU A 45 10.210 -0.565 5.447 1.00 0.00 C ATOM 715 O LEU A 45 11.295 -1.074 5.730 1.00 0.00 O ATOM 716 CB LEU A 45 8.736 1.495 5.598 1.00 0.00 C ATOM 717 CG LEU A 45 8.876 2.887 6.263 1.00 0.00 C ATOM 718 CD1 LEU A 45 9.757 2.803 7.530 1.00 0.00 C ATOM 719 CD2 LEU A 45 9.463 3.910 5.265 1.00 0.00 C ATOM 0 H LEU A 45 9.462 1.514 3.229 1.00 0.00 H new ATOM 0 HA LEU A 45 10.894 1.448 5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.070 1.568 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.274 0.801 6.301 1.00 0.00 H new ATOM 0 HG LEU A 45 7.882 3.223 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.842 3.792 7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.303 2.116 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.749 2.441 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.554 4.882 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.447 3.575 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.803 3.996 4.402 1.00 0.00 H new ATOM 731 N ALA A 46 9.078 -1.262 5.395 1.00 0.00 N ATOM 732 CA ALA A 46 9.072 -2.695 5.676 1.00 0.00 C ATOM 733 C ALA A 46 7.714 -3.316 5.356 1.00 0.00 C ATOM 734 O ALA A 46 7.457 -4.468 5.706 1.00 0.00 O ATOM 735 CB ALA A 46 9.403 -2.930 7.151 1.00 0.00 C ATOM 0 H ALA A 46 8.167 -0.866 5.165 1.00 0.00 H new ATOM 0 HA ALA A 46 9.824 -3.168 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.398 -4.000 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.389 -2.522 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.658 -2.436 7.774 1.00 0.00 H new ATOM 741 N LYS A 47 6.848 -2.553 4.695 1.00 0.00 N ATOM 742 CA LYS A 47 5.524 -3.059 4.346 1.00 0.00 C ATOM 743 C LYS A 47 4.797 -2.099 3.406 1.00 0.00 C ATOM 744 O LYS A 47 5.254 -0.982 3.166 1.00 0.00 O ATOM 745 CB LYS A 47 4.689 -3.283 5.617 1.00 0.00 C ATOM 746 CG LYS A 47 4.238 -1.942 6.217 1.00 0.00 C ATOM 747 CD LYS A 47 5.443 -1.014 6.398 1.00 0.00 C ATOM 748 CE LYS A 47 5.081 0.118 7.362 1.00 0.00 C ATOM 749 NZ LYS A 47 4.675 -0.457 8.675 1.00 0.00 N ATOM 0 H LYS A 47 7.035 -1.596 4.394 1.00 0.00 H new ATOM 0 HA LYS A 47 5.653 -4.010 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.817 -3.893 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.276 -3.836 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.502 -1.472 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.751 -2.110 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.293 -1.577 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.745 -0.602 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.933 0.785 7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.269 0.716 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.899 0.218 9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.652 -0.645 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.190 -1.346 8.839 1.00 0.00 H new ATOM 763 N ASP A 48 3.662 -2.552 2.875 1.00 0.00 N ATOM 764 CA ASP A 48 2.863 -1.741 1.956 1.00 0.00 C ATOM 765 C ASP A 48 1.789 -0.966 2.715 1.00 0.00 C ATOM 766 O ASP A 48 1.305 -1.411 3.755 1.00 0.00 O ATOM 767 CB ASP A 48 2.197 -2.643 0.915 1.00 0.00 C ATOM 768 CG ASP A 48 1.551 -3.843 1.600 1.00 0.00 C ATOM 769 OD1 ASP A 48 2.238 -4.511 2.354 1.00 0.00 O ATOM 770 OD2 ASP A 48 0.378 -4.075 1.359 1.00 0.00 O ATOM 0 H ASP A 48 3.275 -3.476 3.065 1.00 0.00 H new ATOM 0 HA ASP A 48 3.525 -1.031 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.444 -2.080 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.937 -2.983 0.190 1.00 0.00 H new ATOM 775 N ILE A 49 1.420 0.198 2.180 1.00 0.00 N ATOM 776 CA ILE A 49 0.397 1.047 2.799 1.00 0.00 C ATOM 777 C ILE A 49 -0.804 1.190 1.868 1.00 0.00 C ATOM 778 O ILE A 49 -0.641 1.427 0.677 1.00 0.00 O ATOM 779 CB ILE A 49 0.985 2.432 3.094 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.192 2.302 4.061 1.00 0.00 C ATOM 781 CG2 ILE A 49 -0.098 3.309 3.728 1.00 0.00 C ATOM 782 CD1 ILE A 49 3.502 2.209 3.269 1.00 0.00 C ATOM 0 H ILE A 49 1.814 0.576 1.318 1.00 0.00 H new ATOM 0 HA ILE A 49 0.071 0.583 3.730 1.00 0.00 H new ATOM 0 HB ILE A 49 1.329 2.887 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.224 3.162 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.073 1.416 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.312 4.296 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.937 3.406 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.441 2.850 4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.340 2.118 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.472 1.335 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.626 3.107 2.665 1.00 0.00 H new ATOM 794 N CYS A 50 -2.009 1.043 2.422 1.00 0.00 N ATOM 795 CA CYS A 50 -3.240 1.150 1.628 1.00 0.00 C ATOM 796 C CYS A 50 -3.874 2.528 1.807 1.00 0.00 C ATOM 797 O CYS A 50 -3.730 3.154 2.858 1.00 0.00 O ATOM 798 CB CYS A 50 -4.227 0.064 2.078 1.00 0.00 C ATOM 799 SG CYS A 50 -3.315 -1.461 2.435 1.00 0.00 S ATOM 0 H CYS A 50 -2.161 0.850 3.412 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.996 1.015 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.769 0.393 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.968 -0.115 1.299 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.146 -2.384 2.819 1.00 0.00 H new ATOM 804 N ALA A 51 -4.571 3.000 0.774 1.00 0.00 N ATOM 805 CA ALA A 51 -5.213 4.311 0.837 1.00 0.00 C ATOM 806 C ALA A 51 -6.224 4.474 -0.302 1.00 0.00 C ATOM 807 O ALA A 51 -5.961 4.084 -1.439 1.00 0.00 O ATOM 808 CB ALA A 51 -4.141 5.408 0.767 1.00 0.00 C ATOM 0 H ALA A 51 -4.704 2.501 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.754 4.397 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.618 6.387 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.454 5.299 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.589 5.318 -0.169 1.00 0.00 H new ATOM 814 N ASP A 52 -7.388 5.042 0.018 1.00 0.00 N ATOM 815 CA ASP A 52 -8.449 5.237 -0.975 1.00 0.00 C ATOM 816 C ASP A 52 -8.280 6.583 -1.715 1.00 0.00 C ATOM 817 O ASP A 52 -7.914 7.582 -1.096 1.00 0.00 O ATOM 818 CB ASP A 52 -9.811 5.200 -0.247 1.00 0.00 C ATOM 819 CG ASP A 52 -10.885 4.535 -1.110 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.576 3.541 -1.746 1.00 0.00 O ATOM 821 OD2 ASP A 52 -12.001 5.026 -1.114 1.00 0.00 O ATOM 0 H ASP A 52 -7.621 5.375 0.954 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.395 4.443 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.709 4.657 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.120 6.215 0.003 1.00 0.00 H new ATOM 826 N PRO A 53 -8.545 6.638 -3.010 1.00 0.00 N ATOM 827 CA PRO A 53 -8.419 7.906 -3.801 1.00 0.00 C ATOM 828 C PRO A 53 -9.457 8.957 -3.400 1.00 0.00 C ATOM 829 O PRO A 53 -10.386 9.251 -4.150 1.00 0.00 O ATOM 830 CB PRO A 53 -8.603 7.452 -5.260 1.00 0.00 C ATOM 831 CG PRO A 53 -9.392 6.187 -5.177 1.00 0.00 C ATOM 832 CD PRO A 53 -8.981 5.515 -3.866 1.00 0.00 C ATOM 0 HA PRO A 53 -7.462 8.399 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.129 8.207 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.641 7.286 -5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.462 6.394 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.182 5.540 -6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.813 4.971 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.177 4.796 -4.021 1.00 0.00 H new ATOM 840 N LYS A 54 -9.269 9.532 -2.214 1.00 0.00 N ATOM 841 CA LYS A 54 -10.165 10.571 -1.708 1.00 0.00 C ATOM 842 C LYS A 54 -9.381 11.538 -0.829 1.00 0.00 C ATOM 843 O LYS A 54 -9.518 12.755 -0.952 1.00 0.00 O ATOM 844 CB LYS A 54 -11.318 9.954 -0.894 1.00 0.00 C ATOM 845 CG LYS A 54 -12.359 9.268 -1.822 1.00 0.00 C ATOM 846 CD LYS A 54 -12.125 7.750 -1.862 1.00 0.00 C ATOM 847 CE LYS A 54 -12.830 7.148 -3.080 1.00 0.00 C ATOM 848 NZ LYS A 54 -12.298 7.775 -4.324 1.00 0.00 N ATOM 0 H LYS A 54 -8.503 9.296 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.589 11.105 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.919 9.224 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.807 10.730 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.367 9.477 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.285 9.680 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.057 7.539 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.502 7.291 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.673 6.070 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.905 7.312 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.209 7.052 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.949 8.521 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.364 8.190 -4.131 1.00 0.00 H new ATOM 862 N LYS A 55 -8.549 10.988 0.050 1.00 0.00 N ATOM 863 CA LYS A 55 -7.737 11.818 0.932 1.00 0.00 C ATOM 864 C LYS A 55 -6.722 12.599 0.088 1.00 0.00 C ATOM 865 O LYS A 55 -6.211 12.091 -0.907 1.00 0.00 O ATOM 866 CB LYS A 55 -7.031 10.947 2.009 1.00 0.00 C ATOM 867 CG LYS A 55 -7.528 9.493 1.914 1.00 0.00 C ATOM 868 CD LYS A 55 -6.959 8.654 3.074 1.00 0.00 C ATOM 869 CE LYS A 55 -7.828 8.810 4.329 1.00 0.00 C ATOM 870 NZ LYS A 55 -9.245 8.477 4.008 1.00 0.00 N ATOM 0 H LYS A 55 -8.420 9.983 0.170 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.375 12.526 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.951 10.982 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.234 11.346 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.617 9.472 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.225 9.060 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.915 7.604 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.938 8.968 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.461 8.155 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.761 9.831 4.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.711 8.091 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.743 9.337 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.271 7.770 3.245 1.00 0.00 H new ATOM 884 N LYS A 56 -6.472 13.843 0.468 1.00 0.00 N ATOM 885 CA LYS A 56 -5.558 14.702 -0.283 1.00 0.00 C ATOM 886 C LYS A 56 -4.211 14.036 -0.579 1.00 0.00 C ATOM 887 O LYS A 56 -3.800 13.958 -1.737 1.00 0.00 O ATOM 888 CB LYS A 56 -5.320 16.004 0.493 1.00 0.00 C ATOM 889 CG LYS A 56 -4.653 17.058 -0.418 1.00 0.00 C ATOM 890 CD LYS A 56 -5.721 17.849 -1.201 1.00 0.00 C ATOM 891 CE LYS A 56 -6.229 19.026 -0.359 1.00 0.00 C ATOM 892 NZ LYS A 56 -5.088 19.917 -0.008 1.00 0.00 N ATOM 0 H LYS A 56 -6.886 14.283 1.290 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.034 14.904 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.267 16.388 0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.687 15.809 1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.055 17.742 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.972 16.567 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.299 18.217 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.552 17.193 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.983 19.585 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.708 18.658 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.418 20.902 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.701 19.638 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.347 19.834 -0.733 1.00 0.00 H new ATOM 906 N TRP A 57 -3.503 13.598 0.457 1.00 0.00 N ATOM 907 CA TRP A 57 -2.184 12.996 0.253 1.00 0.00 C ATOM 908 C TRP A 57 -2.231 11.811 -0.708 1.00 0.00 C ATOM 909 O TRP A 57 -1.243 11.524 -1.386 1.00 0.00 O ATOM 910 CB TRP A 57 -1.564 12.575 1.590 1.00 0.00 C ATOM 911 CG TRP A 57 -2.195 11.320 2.104 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.312 11.269 2.865 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.755 9.941 1.927 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.586 9.947 3.167 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.656 9.091 2.611 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.674 9.350 1.246 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.491 7.706 2.621 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.504 7.955 1.254 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.411 7.136 1.940 1.00 0.00 C ATOM 0 H TRP A 57 -3.809 13.645 1.429 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.555 13.760 -0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.492 12.422 1.465 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.689 13.374 2.320 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.894 12.121 3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.379 9.642 3.732 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.030 9.973 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.192 7.078 3.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.329 7.512 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.276 6.065 1.943 1.00 0.00 H new ATOM 930 N VAL A 58 -3.366 11.126 -0.781 1.00 0.00 N ATOM 931 CA VAL A 58 -3.476 9.988 -1.686 1.00 0.00 C ATOM 932 C VAL A 58 -3.423 10.463 -3.133 1.00 0.00 C ATOM 933 O VAL A 58 -2.615 9.980 -3.921 1.00 0.00 O ATOM 934 CB VAL A 58 -4.785 9.223 -1.439 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.980 8.151 -2.518 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.735 8.549 -0.064 1.00 0.00 C ATOM 0 H VAL A 58 -4.205 11.331 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.638 9.317 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.617 9.927 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.911 7.614 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.022 8.625 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.146 7.450 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.665 8.007 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.897 7.853 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.608 9.307 0.709 1.00 0.00 H new ATOM 946 N GLN A 59 -4.294 11.404 -3.477 1.00 0.00 N ATOM 947 CA GLN A 59 -4.340 11.925 -4.839 1.00 0.00 C ATOM 948 C GLN A 59 -3.073 12.723 -5.160 1.00 0.00 C ATOM 949 O GLN A 59 -2.611 12.739 -6.301 1.00 0.00 O ATOM 950 CB GLN A 59 -5.589 12.813 -5.027 1.00 0.00 C ATOM 951 CG GLN A 59 -6.711 12.356 -4.078 1.00 0.00 C ATOM 952 CD GLN A 59 -8.074 12.783 -4.621 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.668 12.076 -5.434 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.604 13.905 -4.217 1.00 0.00 N ATOM 0 H GLN A 59 -4.973 11.819 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.397 11.081 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.337 13.855 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.931 12.758 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.681 11.272 -3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.556 12.785 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.109 14.489 -3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.513 14.198 -4.575 1.00 0.00 H new ATOM 963 N ASP A 60 -2.530 13.395 -4.149 1.00 0.00 N ATOM 964 CA ASP A 60 -1.330 14.207 -4.338 1.00 0.00 C ATOM 965 C ASP A 60 -0.071 13.343 -4.424 1.00 0.00 C ATOM 966 O ASP A 60 0.921 13.743 -5.032 1.00 0.00 O ATOM 967 CB ASP A 60 -1.191 15.193 -3.175 1.00 0.00 C ATOM 968 CG ASP A 60 -0.211 16.303 -3.543 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.520 17.065 -4.445 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.835 16.376 -2.918 1.00 0.00 O ATOM 0 H ASP A 60 -2.897 13.395 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.435 14.746 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.164 15.621 -2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.843 14.670 -2.284 1.00 0.00 H new ATOM 975 N SER A 61 -0.108 12.167 -3.805 1.00 0.00 N ATOM 976 CA SER A 61 1.050 11.275 -3.816 1.00 0.00 C ATOM 977 C SER A 61 1.303 10.708 -5.213 1.00 0.00 C ATOM 978 O SER A 61 2.423 10.776 -5.722 1.00 0.00 O ATOM 979 CB SER A 61 0.833 10.129 -2.827 1.00 0.00 C ATOM 980 OG SER A 61 -0.480 9.610 -2.989 1.00 0.00 O ATOM 0 H SER A 61 -0.916 11.811 -3.295 1.00 0.00 H new ATOM 0 HA SER A 61 1.924 11.855 -3.521 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.570 9.344 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.973 10.484 -1.806 1.00 0.00 H new ATOM 0 HG SER A 61 -0.440 8.770 -3.493 1.00 0.00 H new ATOM 986 N MET A 62 0.267 10.142 -5.830 1.00 0.00 N ATOM 987 CA MET A 62 0.417 9.566 -7.165 1.00 0.00 C ATOM 988 C MET A 62 0.648 10.660 -8.203 1.00 0.00 C ATOM 989 O MET A 62 1.372 10.455 -9.178 1.00 0.00 O ATOM 990 CB MET A 62 -0.826 8.754 -7.539 1.00 0.00 C ATOM 991 CG MET A 62 -2.080 9.574 -7.243 1.00 0.00 C ATOM 992 SD MET A 62 -3.523 8.766 -7.984 1.00 0.00 S ATOM 993 CE MET A 62 -4.085 7.880 -6.508 1.00 0.00 C ATOM 0 H MET A 62 -0.671 10.070 -5.435 1.00 0.00 H new ATOM 0 HA MET A 62 1.284 8.906 -7.152 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.794 8.487 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.847 7.821 -6.975 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.218 9.671 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.970 10.582 -7.642 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.046 7.408 -6.711 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.354 7.116 -6.242 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.193 8.582 -5.681 1.00 0.00 H new ATOM 1003 N LYS A 63 0.039 11.821 -7.989 1.00 0.00 N ATOM 1004 CA LYS A 63 0.201 12.933 -8.917 1.00 0.00 C ATOM 1005 C LYS A 63 1.673 13.321 -8.991 1.00 0.00 C ATOM 1006 O LYS A 63 2.181 13.697 -10.048 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.640 14.131 -8.453 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.363 15.360 -9.331 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.580 15.014 -10.812 1.00 0.00 C ATOM 1010 CE LYS A 63 -0.801 16.298 -11.618 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.110 16.903 -11.239 1.00 0.00 N ATOM 0 H LYS A 63 -0.565 12.015 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.140 12.631 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.699 13.877 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.411 14.362 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.021 16.179 -9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.660 15.703 -9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.284 14.475 -11.199 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.441 14.354 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.007 17.004 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.785 16.077 -12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.487 17.446 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.780 16.149 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.977 17.536 -10.425 1.00 0.00 H new ATOM 1025 N TYR A 64 2.352 13.215 -7.855 1.00 0.00 N ATOM 1026 CA TYR A 64 3.768 13.542 -7.782 1.00 0.00 C ATOM 1027 C TYR A 64 4.576 12.480 -8.535 1.00 0.00 C ATOM 1028 O TYR A 64 5.603 12.782 -9.143 1.00 0.00 O ATOM 1029 CB TYR A 64 4.182 13.641 -6.289 1.00 0.00 C ATOM 1030 CG TYR A 64 5.519 12.967 -6.024 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.660 13.377 -6.723 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.611 11.935 -5.079 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.891 12.759 -6.478 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.843 11.317 -4.835 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.983 11.729 -5.534 1.00 0.00 C ATOM 1036 OH TYR A 64 9.197 11.119 -5.294 1.00 0.00 O ATOM 0 H TYR A 64 1.944 12.905 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 64 3.970 14.503 -8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.240 14.690 -5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.414 13.180 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.590 14.171 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.731 11.617 -4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.771 13.077 -7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.914 10.522 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 64 9.085 10.426 -4.610 1.00 0.00 H new ATOM 1046 N LEU A 65 4.100 11.240 -8.489 1.00 0.00 N ATOM 1047 CA LEU A 65 4.780 10.147 -9.172 1.00 0.00 C ATOM 1048 C LEU A 65 4.552 10.241 -10.677 1.00 0.00 C ATOM 1049 O LEU A 65 5.297 9.662 -11.468 1.00 0.00 O ATOM 1050 CB LEU A 65 4.265 8.794 -8.646 1.00 0.00 C ATOM 1051 CG LEU A 65 4.934 8.463 -7.290 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.015 7.554 -6.455 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.283 7.755 -7.533 1.00 0.00 C ATOM 0 H LEU A 65 3.253 10.969 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 65 5.849 10.222 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.182 8.829 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.481 8.007 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 65 5.106 9.391 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.495 7.327 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.069 8.063 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.829 6.627 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.750 7.524 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.115 6.831 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.939 8.409 -8.108 1.00 0.00 H new ATOM 1065 N ASP A 66 3.517 10.974 -11.061 1.00 0.00 N ATOM 1066 CA ASP A 66 3.191 11.143 -12.470 1.00 0.00 C ATOM 1067 C ASP A 66 4.281 11.939 -13.184 1.00 0.00 C ATOM 1068 O ASP A 66 4.595 11.678 -14.344 1.00 0.00 O ATOM 1069 CB ASP A 66 1.848 11.865 -12.600 1.00 0.00 C ATOM 1070 CG ASP A 66 1.245 11.623 -13.981 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.877 10.493 -14.255 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.162 12.571 -14.744 1.00 0.00 O ATOM 0 H ASP A 66 2.890 11.460 -10.419 1.00 0.00 H new ATOM 0 HA ASP A 66 3.124 10.160 -12.935 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.162 11.512 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.986 12.934 -12.439 1.00 0.00 H new ATOM 1077 N GLN A 67 4.853 12.911 -12.479 1.00 0.00 N ATOM 1078 CA GLN A 67 5.906 13.739 -13.057 1.00 0.00 C ATOM 1079 C GLN A 67 7.111 12.886 -13.435 1.00 0.00 C ATOM 1080 O GLN A 67 7.576 12.921 -14.574 1.00 0.00 O ATOM 1081 CB GLN A 67 6.334 14.813 -12.054 1.00 0.00 C ATOM 1082 CG GLN A 67 5.103 15.589 -11.580 1.00 0.00 C ATOM 1083 CD GLN A 67 5.520 16.680 -10.599 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.878 17.782 -11.011 1.00 0.00 O ATOM 1085 NE2 GLN A 67 5.496 16.435 -9.317 1.00 0.00 N ATOM 0 H GLN A 67 4.608 13.143 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 67 5.516 14.215 -13.956 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.836 14.352 -11.203 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.050 15.493 -12.516 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.591 16.033 -12.434 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.396 14.910 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.199 15.520 -8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.775 17.159 -8.654 1.00 0.00 H new ATOM 1094 N LYS A 68 7.615 12.119 -12.472 1.00 0.00 N ATOM 1095 CA LYS A 68 8.769 11.258 -12.716 1.00 0.00 C ATOM 1096 C LYS A 68 8.335 9.955 -13.382 1.00 0.00 C ATOM 1097 O LYS A 68 7.142 9.680 -13.511 1.00 0.00 O ATOM 1098 CB LYS A 68 9.486 10.951 -11.398 1.00 0.00 C ATOM 1099 CG LYS A 68 8.505 10.307 -10.412 1.00 0.00 C ATOM 1100 CD LYS A 68 9.161 10.163 -9.031 1.00 0.00 C ATOM 1101 CE LYS A 68 10.109 8.957 -9.018 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.580 8.716 -7.625 1.00 0.00 N ATOM 0 H LYS A 68 7.246 12.076 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 68 9.453 11.782 -13.383 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.327 10.282 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.894 11.868 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.604 10.916 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.197 9.328 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.712 11.071 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.394 10.040 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.597 8.073 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.959 9.141 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.223 7.899 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.083 9.558 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.763 8.523 -7.011 1.00 0.00 H new ATOM 1116 N SER A 69 9.315 9.160 -13.810 1.00 0.00 N ATOM 1117 CA SER A 69 9.043 7.879 -14.473 1.00 0.00 C ATOM 1118 C SER A 69 9.547 6.714 -13.619 1.00 0.00 C ATOM 1119 O SER A 69 10.683 6.269 -13.786 1.00 0.00 O ATOM 1120 CB SER A 69 9.751 7.847 -15.828 1.00 0.00 C ATOM 1121 OG SER A 69 9.508 6.595 -16.455 1.00 0.00 O ATOM 0 H SER A 69 10.306 9.378 -13.711 1.00 0.00 H new ATOM 0 HA SER A 69 7.966 7.780 -14.609 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.390 8.659 -16.459 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.822 7.999 -15.695 1.00 0.00 H new ATOM 0 HG SER A 69 9.959 6.572 -17.325 1.00 0.00 H new ATOM 1127 N PRO A 70 8.742 6.211 -12.711 1.00 0.00 N ATOM 1128 CA PRO A 70 9.145 5.076 -11.828 1.00 0.00 C ATOM 1129 C PRO A 70 9.805 3.942 -12.613 1.00 0.00 C ATOM 1130 O PRO A 70 9.141 3.216 -13.353 1.00 0.00 O ATOM 1131 CB PRO A 70 7.821 4.629 -11.196 1.00 0.00 C ATOM 1132 CG PRO A 70 6.980 5.863 -11.171 1.00 0.00 C ATOM 1133 CD PRO A 70 7.365 6.659 -12.422 1.00 0.00 C ATOM 0 HA PRO A 70 9.892 5.367 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.349 3.839 -11.781 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.975 4.233 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.919 5.613 -11.178 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.164 6.443 -10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.692 6.448 -13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.323 7.733 -12.242 1.00 0.00 H new ATOM 1368 N ASP B 218 7.680 10.675 12.877 1.00 0.00 N ATOM 1369 CA ASP B 218 8.432 11.600 13.716 1.00 0.00 C ATOM 1370 C ASP B 218 9.835 11.056 13.966 1.00 0.00 C ATOM 1371 O ASP B 218 10.830 11.696 13.627 1.00 0.00 O ATOM 1372 CB ASP B 218 7.712 11.802 15.051 1.00 0.00 C ATOM 1373 CG ASP B 218 6.303 12.331 14.807 1.00 0.00 C ATOM 1374 OD1 ASP B 218 6.178 13.330 14.119 1.00 0.00 O ATOM 1375 OD2 ASP B 218 5.370 11.731 15.315 1.00 0.00 O ATOM 0 HA ASP B 218 8.506 12.558 13.202 1.00 0.00 H new ATOM 0 HB2 ASP B 218 7.666 10.859 15.596 1.00 0.00 H new ATOM 0 HB3 ASP B 218 8.270 12.502 15.673 1.00 0.00 H new ATOM 1380 N ASP B 219 9.902 9.866 14.556 1.00 0.00 N ATOM 1381 CA ASP B 219 11.185 9.232 14.843 1.00 0.00 C ATOM 1382 C ASP B 219 11.677 8.460 13.625 1.00 0.00 C ATOM 1383 O ASP B 219 11.216 7.354 13.350 1.00 0.00 O ATOM 1384 CB ASP B 219 11.046 8.277 16.026 1.00 0.00 C ATOM 1385 CG ASP B 219 10.495 9.023 17.237 1.00 0.00 C ATOM 1386 OD1 ASP B 219 11.046 10.059 17.572 1.00 0.00 O ATOM 1387 OD2 ASP B 219 9.529 8.548 17.811 1.00 0.00 O ATOM 0 H ASP B 219 9.087 9.324 14.843 1.00 0.00 H new ATOM 0 HA ASP B 219 11.907 10.010 15.090 1.00 0.00 H new ATOM 0 HB2 ASP B 219 10.382 7.453 15.763 1.00 0.00 H new ATOM 0 HB3 ASP B 219 12.015 7.841 16.267 1.00 0.00 H new ATOM 1392 N VAL B 220 12.613 9.055 12.897 1.00 0.00 N ATOM 1393 CA VAL B 220 13.159 8.418 11.708 1.00 0.00 C ATOM 1394 C VAL B 220 14.023 7.220 12.088 1.00 0.00 C ATOM 1395 O VAL B 220 14.460 6.458 11.226 1.00 0.00 O ATOM 1396 CB VAL B 220 13.989 9.432 10.917 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.174 8.945 9.478 1.00 0.00 C ATOM 1398 CG2 VAL B 220 13.259 10.778 10.910 1.00 0.00 C ATOM 0 H VAL B 220 13.007 9.972 13.108 1.00 0.00 H new ATOM 0 HA VAL B 220 12.334 8.064 11.090 1.00 0.00 H new ATOM 0 HB VAL B 220 14.968 9.543 11.384 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.766 9.672 8.921 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.689 7.985 9.482 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.199 8.831 9.004 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.844 11.506 10.348 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.282 10.659 10.442 1.00 0.00 H new ATOM 0 HG23 VAL B 220 13.131 11.128 11.934 1.00 0.00 H new ATOM 1408 N GLY B 221 14.261 7.059 13.386 1.00 0.00 N ATOM 1409 CA GLY B 221 15.069 5.946 13.871 1.00 0.00 C ATOM 1410 C GLY B 221 14.245 4.665 13.929 1.00 0.00 C ATOM 1411 O GLY B 221 14.790 3.565 14.001 1.00 0.00 O ATOM 0 H GLY B 221 13.909 7.679 14.115 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.928 5.802 13.216 1.00 0.00 H new ATOM 0 HA3 GLY B 221 15.459 6.178 14.862 1.00 0.00 H new ATOM 1415 N LEU B 222 12.924 4.820 13.894 1.00 0.00 N ATOM 1416 CA LEU B 222 12.027 3.670 13.940 1.00 0.00 C ATOM 1417 C LEU B 222 12.437 2.637 12.891 1.00 0.00 C ATOM 1418 O LEU B 222 12.633 1.463 13.207 1.00 0.00 O ATOM 1419 CB LEU B 222 10.579 4.134 13.688 1.00 0.00 C ATOM 1420 CG LEU B 222 9.941 4.649 14.997 1.00 0.00 C ATOM 1421 CD1 LEU B 222 8.797 5.616 14.671 1.00 0.00 C ATOM 1422 CD2 LEU B 222 9.376 3.475 15.811 1.00 0.00 C ATOM 0 H LEU B 222 12.454 5.723 13.834 1.00 0.00 H new ATOM 0 HA LEU B 222 12.090 3.208 14.925 1.00 0.00 H new ATOM 0 HB2 LEU B 222 10.569 4.923 12.937 1.00 0.00 H new ATOM 0 HB3 LEU B 222 9.990 3.308 13.290 1.00 0.00 H new ATOM 0 HG LEU B 222 10.709 5.160 15.578 1.00 0.00 H new ATOM 0 HD11 LEU B 222 8.350 5.977 15.598 1.00 0.00 H new ATOM 0 HD12 LEU B 222 9.186 6.461 14.103 1.00 0.00 H new ATOM 0 HD13 LEU B 222 8.041 5.099 14.081 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.929 3.852 16.731 1.00 0.00 H new ATOM 0 HD22 LEU B 222 8.617 2.958 15.224 1.00 0.00 H new ATOM 0 HD23 LEU B 222 10.180 2.781 16.056 1.00 0.00 H new ATOM 1434 N LEU B 223 12.562 3.081 11.645 1.00 0.00 N ATOM 1435 CA LEU B 223 12.948 2.186 10.559 1.00 0.00 C ATOM 1436 C LEU B 223 14.133 1.320 10.978 1.00 0.00 C ATOM 1437 O LEU B 223 13.963 0.113 11.055 1.00 0.00 O ATOM 1438 CB LEU B 223 13.312 3.009 9.313 1.00 0.00 C ATOM 1439 CG LEU B 223 13.938 2.112 8.235 1.00 0.00 C ATOM 1440 CD1 LEU B 223 13.063 0.874 8.006 1.00 0.00 C ATOM 1441 CD2 LEU B 223 14.051 2.903 6.929 1.00 0.00 C ATOM 1442 OXT LEU B 223 15.193 1.875 11.217 1.00 0.00 O ATOM 0 H LEU B 223 12.403 4.048 11.363 1.00 0.00 H new ATOM 0 HA LEU B 223 12.107 1.533 10.325 1.00 0.00 H new ATOM 0 HB2 LEU B 223 12.419 3.493 8.917 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.010 3.801 9.585 1.00 0.00 H new ATOM 0 HG LEU B 223 14.927 1.791 8.563 1.00 0.00 H new ATOM 0 HD11 LEU B 223 13.516 0.245 7.240 1.00 0.00 H new ATOM 0 HD12 LEU B 223 12.979 0.311 8.935 1.00 0.00 H new ATOM 0 HD13 LEU B 223 12.071 1.185 7.680 1.00 0.00 H new ATOM 0 HD21 LEU B 223 14.495 2.272 6.159 1.00 0.00 H new ATOM 0 HD22 LEU B 223 13.059 3.222 6.610 1.00 0.00 H new ATOM 0 HD23 LEU B 223 14.680 3.779 7.087 1.00 0.00 H new