USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 727 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: B 35 GLN : amide:sc= -4.56! C(o=-11!,f=-7.2!) USER MOD Set 1.2: B 36 HIS : no HD1:sc= -6.93! C(o=-11!,f=-7.2!) USER MOD Set 2.1: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 24 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.21) USER MOD Set 3.1: A 35 GLN : amide:sc= -4.47! C(o=-12!,f=-7.2!) USER MOD Set 3.2: A 36 HIS : no HD1:sc= -7.21! C(o=-12!,f=-7.2!) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 24 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.22) USER MOD Single : A 23 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.0097) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.4) USER MOD Single : A 33 MET CE :methyl 147:sc= -6.25! (180deg=-10.5!) USER MOD Single : A 34 MET CE :methyl -111:sc= -0.391 (180deg=-0.675) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.338 X(o=0.34,f=-0.074) USER MOD Single : A 47 GLN : amide:sc= -1.42 K(o=-1.4,f=0.73) USER MOD Single : A 51 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 53 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.018) USER MOD Single : A 54 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : B 23 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.0025) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= 0.322 K(o=0.32,f=-1.5) USER MOD Single : B 33 MET CE :methyl 151:sc= -4.89! (180deg=-7.92!) USER MOD Single : B 34 MET CE :methyl -169:sc= -0.23 (180deg=-0.346) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 ASN : amide:sc= 0.332 X(o=0.33,f=-0.073) USER MOD Single : B 47 GLN : amide:sc= -1.49 K(o=-1.5,f=0.53) USER MOD Single : B 51 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : B 53 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.0091) USER MOD Single : B 54 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.676 15.503 -16.071 1.00 0.00 N ATOM 163 CA PRO A 19 -15.242 16.740 -16.754 1.00 0.00 C ATOM 164 C PRO A 19 -13.794 16.631 -17.251 1.00 0.00 C ATOM 165 O PRO A 19 -13.136 17.627 -17.479 1.00 0.00 O ATOM 166 CB PRO A 19 -15.359 17.798 -15.664 1.00 0.00 C ATOM 167 CG PRO A 19 -15.231 17.060 -14.362 1.00 0.00 C ATOM 168 CD PRO A 19 -15.478 15.589 -14.622 1.00 0.00 C ATOM 0 HA PRO A 19 -15.837 16.962 -17.640 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.578 18.551 -15.765 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.314 18.319 -15.726 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.238 17.209 -13.937 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.949 17.443 -13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.633 14.981 -14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.353 15.231 -14.079 1.00 0.00 H new ATOM 176 N LYS A 20 -13.293 15.433 -17.431 1.00 0.00 N ATOM 177 CA LYS A 20 -11.886 15.253 -17.922 1.00 0.00 C ATOM 178 C LYS A 20 -10.877 15.758 -16.884 1.00 0.00 C ATOM 179 O LYS A 20 -10.122 14.990 -16.322 1.00 0.00 O ATOM 180 CB LYS A 20 -11.784 16.070 -19.216 1.00 0.00 C ATOM 181 CG LYS A 20 -10.598 15.569 -20.043 1.00 0.00 C ATOM 182 CD LYS A 20 -9.293 16.045 -19.402 1.00 0.00 C ATOM 183 CE LYS A 20 -8.264 16.339 -20.496 1.00 0.00 C ATOM 184 NZ LYS A 20 -7.148 15.388 -20.240 1.00 0.00 N ATOM 0 H LYS A 20 -13.800 14.565 -17.258 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.658 14.201 -18.094 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.706 15.979 -19.790 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.658 17.127 -18.982 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.613 14.480 -20.098 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.671 15.941 -21.065 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.473 16.941 -18.807 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.910 15.283 -18.723 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.690 16.190 -21.488 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.921 17.372 -20.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.402 15.529 -20.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.758 15.558 -19.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.503 14.412 -20.299 1.00 0.00 H new ATOM 198 N ALA A 21 -10.854 17.041 -16.627 1.00 0.00 N ATOM 199 CA ALA A 21 -9.889 17.592 -15.625 1.00 0.00 C ATOM 200 C ALA A 21 -9.920 16.758 -14.340 1.00 0.00 C ATOM 201 O ALA A 21 -8.901 16.311 -13.852 1.00 0.00 O ATOM 202 CB ALA A 21 -10.374 19.016 -15.352 1.00 0.00 C ATOM 0 H ALA A 21 -11.462 17.732 -17.067 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.862 17.572 -15.988 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.717 19.491 -14.624 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.362 19.589 -16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.390 18.985 -14.958 1.00 0.00 H new ATOM 208 N LEU A 22 -11.085 16.537 -13.797 1.00 0.00 N ATOM 209 CA LEU A 22 -11.186 15.722 -12.554 1.00 0.00 C ATOM 210 C LEU A 22 -10.836 14.264 -12.872 1.00 0.00 C ATOM 211 O LEU A 22 -9.930 13.690 -12.302 1.00 0.00 O ATOM 212 CB LEU A 22 -12.654 15.868 -12.113 1.00 0.00 C ATOM 213 CG LEU A 22 -13.060 14.747 -11.139 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.996 14.584 -10.051 1.00 0.00 C ATOM 215 CD2 LEU A 22 -14.398 15.102 -10.489 1.00 0.00 C ATOM 0 H LEU A 22 -11.972 16.886 -14.160 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.502 16.044 -11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.798 16.837 -11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.303 15.845 -12.988 1.00 0.00 H new ATOM 0 HG LEU A 22 -13.152 13.811 -11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.293 13.789 -9.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.041 14.329 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.895 15.518 -9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.689 14.310 -9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.300 16.041 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.160 15.208 -11.261 1.00 0.00 H new ATOM 227 N GLN A 23 -11.555 13.667 -13.782 1.00 0.00 N ATOM 228 CA GLN A 23 -11.287 12.246 -14.160 1.00 0.00 C ATOM 229 C GLN A 23 -9.787 12.019 -14.375 1.00 0.00 C ATOM 230 O GLN A 23 -9.193 11.131 -13.796 1.00 0.00 O ATOM 231 CB GLN A 23 -12.047 12.043 -15.471 1.00 0.00 C ATOM 232 CG GLN A 23 -12.424 10.568 -15.618 1.00 0.00 C ATOM 233 CD GLN A 23 -13.014 10.328 -17.010 1.00 0.00 C ATOM 234 OE1 GLN A 23 -14.051 9.710 -17.143 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.391 10.792 -18.058 1.00 0.00 N ATOM 0 H GLN A 23 -12.325 14.106 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.602 11.548 -13.384 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.944 12.662 -15.483 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.431 12.358 -16.313 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.545 9.941 -15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.147 10.288 -14.852 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.520 11.311 -17.945 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.775 10.636 -18.990 1.00 0.00 H new ATOM 244 N GLN A 24 -9.173 12.815 -15.206 1.00 0.00 N ATOM 245 CA GLN A 24 -7.714 12.646 -15.460 1.00 0.00 C ATOM 246 C GLN A 24 -6.931 12.769 -14.150 1.00 0.00 C ATOM 247 O GLN A 24 -5.929 12.113 -13.950 1.00 0.00 O ATOM 248 CB GLN A 24 -7.343 13.782 -16.414 1.00 0.00 C ATOM 249 CG GLN A 24 -6.240 13.310 -17.364 1.00 0.00 C ATOM 250 CD GLN A 24 -4.955 14.091 -17.082 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.878 15.274 -17.352 1.00 0.00 O ATOM 252 NE2 GLN A 24 -3.936 13.477 -16.547 1.00 0.00 N ATOM 0 H GLN A 24 -9.618 13.575 -15.720 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.479 11.668 -15.880 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.219 14.094 -16.983 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.004 14.650 -15.849 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.065 12.242 -17.233 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.549 13.458 -18.399 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.000 12.485 -16.320 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.075 13.989 -16.355 1.00 0.00 H new ATOM 261 N LYS A 25 -7.383 13.604 -13.255 1.00 0.00 N ATOM 262 CA LYS A 25 -6.665 13.768 -11.957 1.00 0.00 C ATOM 263 C LYS A 25 -6.823 12.506 -11.104 1.00 0.00 C ATOM 264 O LYS A 25 -5.857 11.943 -10.627 1.00 0.00 O ATOM 265 CB LYS A 25 -7.336 14.962 -11.280 1.00 0.00 C ATOM 266 CG LYS A 25 -6.365 16.145 -11.250 1.00 0.00 C ATOM 267 CD LYS A 25 -6.415 16.880 -12.591 1.00 0.00 C ATOM 268 CE LYS A 25 -5.185 17.781 -12.725 1.00 0.00 C ATOM 269 NZ LYS A 25 -5.554 18.781 -13.766 1.00 0.00 N ATOM 0 H LYS A 25 -8.218 14.180 -13.365 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.595 13.927 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.243 15.236 -11.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.635 14.698 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.629 16.825 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.352 15.793 -11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.444 16.162 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.325 17.476 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.945 18.266 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.306 17.208 -13.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.760 19.436 -13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.770 18.291 -14.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.390 19.315 -13.453 1.00 0.00 H new ATOM 283 N ILE A 26 -8.033 12.059 -10.907 1.00 0.00 N ATOM 284 CA ILE A 26 -8.251 10.835 -10.085 1.00 0.00 C ATOM 285 C ILE A 26 -7.398 9.680 -10.618 1.00 0.00 C ATOM 286 O ILE A 26 -6.615 9.091 -9.900 1.00 0.00 O ATOM 287 CB ILE A 26 -9.738 10.516 -10.234 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.567 11.653 -9.633 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.058 9.211 -9.501 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.954 11.670 -10.276 1.00 0.00 C ATOM 0 H ILE A 26 -8.880 12.488 -11.280 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.969 10.983 -9.043 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.980 10.408 -11.291 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.656 11.521 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.067 12.608 -9.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.119 8.984 -9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.469 8.400 -9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.815 9.318 -8.444 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.544 12.480 -9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.855 11.823 -11.351 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.453 10.719 -10.089 1.00 0.00 H new ATOM 302 N HIS A 27 -7.546 9.352 -11.873 1.00 0.00 N ATOM 303 CA HIS A 27 -6.744 8.235 -12.451 1.00 0.00 C ATOM 304 C HIS A 27 -5.248 8.528 -12.311 1.00 0.00 C ATOM 305 O HIS A 27 -4.429 7.632 -12.300 1.00 0.00 O ATOM 306 CB HIS A 27 -7.145 8.181 -13.924 1.00 0.00 C ATOM 307 CG HIS A 27 -7.049 6.763 -14.418 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.120 5.866 -13.914 1.00 0.00 N ATOM 309 CD2 HIS A 27 -7.759 6.073 -15.370 1.00 0.00 C ATOM 310 CE1 HIS A 27 -6.293 4.698 -14.558 1.00 0.00 C ATOM 311 NE2 HIS A 27 -7.279 4.769 -15.456 1.00 0.00 N ATOM 0 H HIS A 27 -8.187 9.808 -12.523 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.929 7.288 -11.943 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.162 8.553 -14.049 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.494 8.827 -14.513 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.431 6.057 -13.187 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.566 6.480 -15.961 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.706 3.811 -14.372 1.00 0.00 H new ATOM 319 N GLU A 28 -4.887 9.778 -12.205 1.00 0.00 N ATOM 320 CA GLU A 28 -3.443 10.127 -12.066 1.00 0.00 C ATOM 321 C GLU A 28 -2.961 9.831 -10.644 1.00 0.00 C ATOM 322 O GLU A 28 -1.951 9.187 -10.441 1.00 0.00 O ATOM 323 CB GLU A 28 -3.367 11.626 -12.358 1.00 0.00 C ATOM 324 CG GLU A 28 -2.935 11.843 -13.810 1.00 0.00 C ATOM 325 CD GLU A 28 -1.417 11.687 -13.919 1.00 0.00 C ATOM 326 OE1 GLU A 28 -0.725 12.671 -13.719 1.00 0.00 O ATOM 327 OE2 GLU A 28 -0.973 10.586 -14.200 1.00 0.00 O ATOM 0 H GLU A 28 -5.528 10.572 -12.209 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.812 9.548 -12.741 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.337 12.091 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.658 12.103 -11.681 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.433 11.124 -14.460 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.234 12.836 -14.145 1.00 0.00 H new ATOM 334 N LEU A 29 -3.676 10.299 -9.656 1.00 0.00 N ATOM 335 CA LEU A 29 -3.258 10.046 -8.248 1.00 0.00 C ATOM 336 C LEU A 29 -3.440 8.566 -7.900 1.00 0.00 C ATOM 337 O LEU A 29 -2.631 7.976 -7.212 1.00 0.00 O ATOM 338 CB LEU A 29 -4.183 10.916 -7.397 1.00 0.00 C ATOM 339 CG LEU A 29 -3.759 12.380 -7.515 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.864 13.279 -6.955 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.471 12.602 -6.719 1.00 0.00 C ATOM 0 H LEU A 29 -4.531 10.845 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.208 10.284 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.215 10.798 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.142 10.598 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.587 12.625 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.561 14.323 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.783 13.121 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.036 13.034 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.167 13.646 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.644 12.357 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.683 11.962 -7.116 1.00 0.00 H new ATOM 353 N GLU A 30 -4.498 7.963 -8.368 1.00 0.00 N ATOM 354 CA GLU A 30 -4.731 6.522 -8.064 1.00 0.00 C ATOM 355 C GLU A 30 -3.578 5.673 -8.607 1.00 0.00 C ATOM 356 O GLU A 30 -3.010 4.860 -7.906 1.00 0.00 O ATOM 357 CB GLU A 30 -6.037 6.174 -8.779 1.00 0.00 C ATOM 358 CG GLU A 30 -6.689 4.971 -8.095 1.00 0.00 C ATOM 359 CD GLU A 30 -7.441 4.137 -9.134 1.00 0.00 C ATOM 360 OE1 GLU A 30 -7.025 4.140 -10.281 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.420 3.509 -8.765 1.00 0.00 O ATOM 0 H GLU A 30 -5.211 8.405 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.788 6.329 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.714 7.028 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.841 5.948 -9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.929 4.362 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.375 5.309 -7.319 1.00 0.00 H new ATOM 368 N GLY A 31 -3.229 5.855 -9.851 1.00 0.00 N ATOM 369 CA GLY A 31 -2.114 5.059 -10.436 1.00 0.00 C ATOM 370 C GLY A 31 -0.819 5.358 -9.679 1.00 0.00 C ATOM 371 O GLY A 31 0.022 4.499 -9.503 1.00 0.00 O ATOM 0 H GLY A 31 -3.668 6.520 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.344 3.995 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.995 5.302 -11.492 1.00 0.00 H new ATOM 375 N LEU A 32 -0.652 6.572 -9.230 1.00 0.00 N ATOM 376 CA LEU A 32 0.589 6.928 -8.484 1.00 0.00 C ATOM 377 C LEU A 32 0.556 6.317 -7.080 1.00 0.00 C ATOM 378 O LEU A 32 1.579 6.055 -6.481 1.00 0.00 O ATOM 379 CB LEU A 32 0.578 8.455 -8.404 1.00 0.00 C ATOM 380 CG LEU A 32 2.004 8.967 -8.196 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.754 8.944 -9.529 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.957 10.400 -7.663 1.00 0.00 C ATOM 0 H LEU A 32 -1.321 7.333 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 32 1.487 6.551 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.160 8.874 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.060 8.782 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 32 2.519 8.328 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.770 9.309 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.787 7.923 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.240 9.583 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.973 10.766 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.442 11.039 -8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.422 10.418 -6.713 1.00 0.00 H new ATOM 394 N MET A 33 -0.615 6.089 -6.552 1.00 0.00 N ATOM 395 CA MET A 33 -0.719 5.497 -5.187 1.00 0.00 C ATOM 396 C MET A 33 -0.504 3.981 -5.247 1.00 0.00 C ATOM 397 O MET A 33 -0.070 3.368 -4.292 1.00 0.00 O ATOM 398 CB MET A 33 -2.142 5.827 -4.726 1.00 0.00 C ATOM 399 CG MET A 33 -2.441 5.109 -3.409 1.00 0.00 C ATOM 400 SD MET A 33 -3.319 3.566 -3.756 1.00 0.00 S ATOM 401 CE MET A 33 -4.997 4.210 -3.551 1.00 0.00 C ATOM 0 H MET A 33 -1.506 6.287 -7.007 1.00 0.00 H new ATOM 0 HA MET A 33 0.033 5.891 -4.504 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.251 6.904 -4.596 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.860 5.523 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.513 4.901 -2.876 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.044 5.747 -2.763 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.671 3.691 -4.232 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.325 4.050 -2.524 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.007 5.277 -3.773 1.00 0.00 H new ATOM 411 N MET A 34 -0.808 3.369 -6.359 1.00 0.00 N ATOM 412 CA MET A 34 -0.623 1.893 -6.472 1.00 0.00 C ATOM 413 C MET A 34 0.851 1.555 -6.707 1.00 0.00 C ATOM 414 O MET A 34 1.415 0.704 -6.049 1.00 0.00 O ATOM 415 CB MET A 34 -1.466 1.480 -7.679 1.00 0.00 C ATOM 416 CG MET A 34 -2.943 1.426 -7.278 1.00 0.00 C ATOM 417 SD MET A 34 -3.483 -0.299 -7.181 1.00 0.00 S ATOM 418 CE MET A 34 -3.610 -0.397 -5.378 1.00 0.00 C ATOM 0 H MET A 34 -1.176 3.826 -7.193 1.00 0.00 H new ATOM 0 HA MET A 34 -0.924 1.371 -5.564 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.325 2.190 -8.494 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.142 0.506 -8.046 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.087 1.917 -6.316 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.548 1.967 -8.006 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.828 -1.051 -4.993 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.493 0.599 -4.950 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.586 -0.797 -5.103 1.00 0.00 H new ATOM 428 N GLN A 35 1.480 2.214 -7.642 1.00 0.00 N ATOM 429 CA GLN A 35 2.918 1.927 -7.919 1.00 0.00 C ATOM 430 C GLN A 35 3.735 1.987 -6.625 1.00 0.00 C ATOM 431 O GLN A 35 4.698 1.264 -6.454 1.00 0.00 O ATOM 432 CB GLN A 35 3.363 3.026 -8.885 1.00 0.00 C ATOM 433 CG GLN A 35 3.195 4.391 -8.216 1.00 0.00 C ATOM 434 CD GLN A 35 3.629 5.492 -9.187 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.451 6.321 -8.855 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.107 5.533 -10.382 1.00 0.00 N ATOM 0 H GLN A 35 1.061 2.938 -8.226 1.00 0.00 H new ATOM 0 HA GLN A 35 3.064 0.931 -8.337 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.404 2.875 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.772 2.982 -9.800 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.156 4.539 -7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.793 4.438 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.416 4.836 -10.661 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.390 6.262 -11.037 1.00 0.00 H new ATOM 445 N HIS A 36 3.359 2.841 -5.713 1.00 0.00 N ATOM 446 CA HIS A 36 4.116 2.944 -4.432 1.00 0.00 C ATOM 447 C HIS A 36 3.761 1.769 -3.513 1.00 0.00 C ATOM 448 O HIS A 36 4.598 0.947 -3.193 1.00 0.00 O ATOM 449 CB HIS A 36 3.667 4.268 -3.817 1.00 0.00 C ATOM 450 CG HIS A 36 4.153 5.408 -4.669 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.132 5.244 -5.637 1.00 0.00 N ATOM 452 CD2 HIS A 36 3.803 6.735 -4.711 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.336 6.442 -6.214 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.552 7.386 -5.687 1.00 0.00 N ATOM 0 H HIS A 36 2.562 3.471 -5.799 1.00 0.00 H new ATOM 0 HA HIS A 36 5.195 2.911 -4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.580 4.295 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.061 4.363 -2.805 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.060 7.203 -4.082 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.047 6.619 -7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.511 8.372 -5.944 1.00 0.00 H new ATOM 462 N ALA A 37 2.525 1.678 -3.094 1.00 0.00 N ATOM 463 CA ALA A 37 2.106 0.551 -2.204 1.00 0.00 C ATOM 464 C ALA A 37 2.613 -0.781 -2.771 1.00 0.00 C ATOM 465 O ALA A 37 3.006 -1.670 -2.042 1.00 0.00 O ATOM 466 CB ALA A 37 0.577 0.589 -2.219 1.00 0.00 C ATOM 0 H ALA A 37 1.784 2.338 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 37 2.509 0.644 -1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.187 -0.209 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.233 1.552 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.220 0.452 -3.240 1.00 0.00 H new ATOM 472 N GLN A 38 2.618 -0.914 -4.072 1.00 0.00 N ATOM 473 CA GLN A 38 3.112 -2.176 -4.692 1.00 0.00 C ATOM 474 C GLN A 38 4.629 -2.269 -4.519 1.00 0.00 C ATOM 475 O GLN A 38 5.183 -3.335 -4.338 1.00 0.00 O ATOM 476 CB GLN A 38 2.745 -2.066 -6.172 1.00 0.00 C ATOM 477 CG GLN A 38 1.388 -2.730 -6.414 1.00 0.00 C ATOM 478 CD GLN A 38 1.373 -3.374 -7.801 1.00 0.00 C ATOM 479 OE1 GLN A 38 0.923 -2.775 -8.757 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.853 -4.578 -7.952 1.00 0.00 N ATOM 0 H GLN A 38 2.301 -0.202 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 38 2.676 -3.065 -4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.707 -1.018 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.510 -2.545 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.199 -3.484 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.591 -1.991 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.231 -5.081 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.850 -5.016 -8.873 1.00 0.00 H new ATOM 489 N ASN A 39 5.301 -1.149 -4.556 1.00 0.00 N ATOM 490 CA ASN A 39 6.781 -1.157 -4.376 1.00 0.00 C ATOM 491 C ASN A 39 7.122 -0.940 -2.898 1.00 0.00 C ATOM 492 O ASN A 39 8.220 -0.550 -2.553 1.00 0.00 O ATOM 493 CB ASN A 39 7.292 0.007 -5.225 1.00 0.00 C ATOM 494 CG ASN A 39 7.707 -0.509 -6.604 1.00 0.00 C ATOM 495 OD1 ASN A 39 8.607 -1.316 -6.717 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.085 -0.073 -7.664 1.00 0.00 N ATOM 0 H ASN A 39 4.888 -0.228 -4.703 1.00 0.00 H new ATOM 0 HA ASN A 39 7.234 -2.102 -4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.515 0.765 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.140 0.484 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.355 -0.410 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.329 0.605 -7.569 1.00 0.00 H new ATOM 503 N LEU A 40 6.183 -1.193 -2.024 1.00 0.00 N ATOM 504 CA LEU A 40 6.429 -1.010 -0.565 1.00 0.00 C ATOM 505 C LEU A 40 6.836 0.432 -0.257 1.00 0.00 C ATOM 506 O LEU A 40 7.469 0.707 0.743 1.00 0.00 O ATOM 507 CB LEU A 40 7.560 -1.979 -0.215 1.00 0.00 C ATOM 508 CG LEU A 40 6.985 -3.190 0.522 1.00 0.00 C ATOM 509 CD1 LEU A 40 7.462 -4.475 -0.157 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.461 -3.174 1.976 1.00 0.00 C ATOM 0 H LEU A 40 5.247 -1.522 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 40 5.532 -1.209 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.071 -2.301 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.302 -1.479 0.408 1.00 0.00 H new ATOM 0 HG LEU A 40 5.896 -3.149 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.052 -5.338 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.123 -4.486 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.551 -4.518 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.052 -4.036 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.550 -3.215 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.121 -2.259 2.460 1.00 0.00 H new ATOM 522 N GLU A 41 6.460 1.358 -1.093 1.00 0.00 N ATOM 523 CA GLU A 41 6.810 2.781 -0.824 1.00 0.00 C ATOM 524 C GLU A 41 5.999 3.275 0.373 1.00 0.00 C ATOM 525 O GLU A 41 6.526 3.843 1.309 1.00 0.00 O ATOM 526 CB GLU A 41 6.419 3.537 -2.093 1.00 0.00 C ATOM 527 CG GLU A 41 7.683 4.007 -2.819 1.00 0.00 C ATOM 528 CD GLU A 41 8.345 5.127 -2.016 1.00 0.00 C ATOM 529 OE1 GLU A 41 7.651 5.763 -1.240 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.535 5.331 -2.191 1.00 0.00 O ATOM 0 H GLU A 41 5.928 1.193 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 41 7.865 2.922 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.830 2.893 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.793 4.393 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.376 3.174 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.431 4.362 -3.818 1.00 0.00 H new ATOM 537 N PHE A 42 4.715 3.043 0.350 1.00 0.00 N ATOM 538 CA PHE A 42 3.845 3.473 1.481 1.00 0.00 C ATOM 539 C PHE A 42 4.108 4.931 1.854 1.00 0.00 C ATOM 540 O PHE A 42 4.880 5.611 1.212 1.00 0.00 O ATOM 541 CB PHE A 42 4.213 2.545 2.638 1.00 0.00 C ATOM 542 CG PHE A 42 3.330 1.321 2.596 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.929 1.468 2.498 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.903 0.031 2.654 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.100 0.325 2.458 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.074 -1.112 2.614 1.00 0.00 C ATOM 547 CZ PHE A 42 1.672 -0.964 2.517 1.00 0.00 C ATOM 0 H PHE A 42 4.227 2.570 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 42 2.788 3.411 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.261 2.254 2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.090 3.064 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.491 2.454 2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.975 -0.081 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.029 0.437 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.511 -2.098 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.038 -1.838 2.488 1.00 0.00 H new ATOM 557 N GLU A 43 3.435 5.403 2.877 1.00 0.00 N ATOM 558 CA GLU A 43 3.566 6.820 3.340 1.00 0.00 C ATOM 559 C GLU A 43 3.021 7.749 2.265 1.00 0.00 C ATOM 560 O GLU A 43 2.051 8.450 2.460 1.00 0.00 O ATOM 561 CB GLU A 43 5.061 7.070 3.586 1.00 0.00 C ATOM 562 CG GLU A 43 5.266 8.538 3.961 1.00 0.00 C ATOM 563 CD GLU A 43 6.756 8.878 3.897 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.225 9.198 2.817 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.402 8.814 4.929 1.00 0.00 O ATOM 0 H GLU A 43 2.780 4.846 3.426 1.00 0.00 H new ATOM 0 HA GLU A 43 3.002 7.005 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.424 6.423 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.635 6.826 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.706 9.180 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.882 8.725 4.964 1.00 0.00 H new ATOM 572 N GLU A 44 3.631 7.735 1.127 1.00 0.00 N ATOM 573 CA GLU A 44 3.157 8.587 0.003 1.00 0.00 C ATOM 574 C GLU A 44 2.000 7.891 -0.722 1.00 0.00 C ATOM 575 O GLU A 44 1.135 8.529 -1.288 1.00 0.00 O ATOM 576 CB GLU A 44 4.369 8.745 -0.922 1.00 0.00 C ATOM 577 CG GLU A 44 4.750 7.389 -1.525 1.00 0.00 C ATOM 578 CD GLU A 44 5.870 7.581 -2.551 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.484 8.635 -2.542 1.00 0.00 O ATOM 580 OE2 GLU A 44 6.096 6.668 -3.328 1.00 0.00 O ATOM 0 H GLU A 44 4.450 7.164 0.918 1.00 0.00 H new ATOM 0 HA GLU A 44 2.786 9.555 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.139 9.454 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.212 9.154 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.076 6.708 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.881 6.934 -2.001 1.00 0.00 H new ATOM 587 N ALA A 45 1.988 6.582 -0.718 1.00 0.00 N ATOM 588 CA ALA A 45 0.900 5.840 -1.418 1.00 0.00 C ATOM 589 C ALA A 45 -0.368 5.780 -0.561 1.00 0.00 C ATOM 590 O ALA A 45 -1.459 6.029 -1.034 1.00 0.00 O ATOM 591 CB ALA A 45 1.458 4.434 -1.626 1.00 0.00 C ATOM 0 H ALA A 45 2.686 5.996 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 45 0.620 6.325 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.716 3.820 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.364 4.488 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.693 3.989 -0.659 1.00 0.00 H new ATOM 597 N ALA A 46 -0.238 5.433 0.689 1.00 0.00 N ATOM 598 CA ALA A 46 -1.444 5.337 1.562 1.00 0.00 C ATOM 599 C ALA A 46 -2.036 6.724 1.825 1.00 0.00 C ATOM 600 O ALA A 46 -3.190 6.854 2.185 1.00 0.00 O ATOM 601 CB ALA A 46 -0.946 4.694 2.854 1.00 0.00 C ATOM 0 H ALA A 46 0.648 5.212 1.144 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.240 4.752 1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.777 4.588 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.529 3.711 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.176 5.323 3.300 1.00 0.00 H new ATOM 607 N GLN A 47 -1.270 7.762 1.640 1.00 0.00 N ATOM 608 CA GLN A 47 -1.813 9.131 1.873 1.00 0.00 C ATOM 609 C GLN A 47 -2.656 9.562 0.672 1.00 0.00 C ATOM 610 O GLN A 47 -3.788 9.983 0.815 1.00 0.00 O ATOM 611 CB GLN A 47 -0.590 10.031 2.018 1.00 0.00 C ATOM 612 CG GLN A 47 -0.463 10.505 3.471 1.00 0.00 C ATOM 613 CD GLN A 47 -0.405 9.296 4.409 1.00 0.00 C ATOM 614 OE1 GLN A 47 0.483 8.473 4.306 1.00 0.00 O ATOM 615 NE2 GLN A 47 -1.321 9.154 5.327 1.00 0.00 N ATOM 0 H GLN A 47 -0.296 7.724 1.339 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.453 9.179 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.309 9.489 1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.678 10.890 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.436 11.111 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.311 11.139 3.732 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.067 9.844 5.414 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.291 8.353 5.957 1.00 0.00 H new ATOM 624 N ILE A 48 -2.120 9.450 -0.517 1.00 0.00 N ATOM 625 CA ILE A 48 -2.900 9.842 -1.728 1.00 0.00 C ATOM 626 C ILE A 48 -4.266 9.153 -1.695 1.00 0.00 C ATOM 627 O ILE A 48 -5.254 9.678 -2.168 1.00 0.00 O ATOM 628 CB ILE A 48 -2.070 9.346 -2.914 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.753 10.121 -2.971 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.847 9.566 -4.213 1.00 0.00 C ATOM 631 CD1 ILE A 48 0.151 9.515 -4.046 1.00 0.00 C ATOM 0 H ILE A 48 -1.178 9.105 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.078 10.916 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.864 8.283 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.946 11.171 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.256 10.086 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.254 9.212 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.786 9.014 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.055 10.629 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.090 10.068 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.354 8.472 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.346 9.573 -5.014 1.00 0.00 H new ATOM 643 N ARG A 49 -4.323 7.986 -1.115 1.00 0.00 N ATOM 644 CA ARG A 49 -5.618 7.261 -1.019 1.00 0.00 C ATOM 645 C ARG A 49 -6.647 8.164 -0.323 1.00 0.00 C ATOM 646 O ARG A 49 -7.840 8.013 -0.499 1.00 0.00 O ATOM 647 CB ARG A 49 -5.287 6.012 -0.184 1.00 0.00 C ATOM 648 CG ARG A 49 -6.559 5.389 0.406 1.00 0.00 C ATOM 649 CD ARG A 49 -6.503 5.473 1.934 1.00 0.00 C ATOM 650 NE ARG A 49 -6.306 6.919 2.241 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.202 7.562 2.940 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.461 7.499 2.604 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.838 8.265 3.978 1.00 0.00 N ATOM 0 H ARG A 49 -3.525 7.503 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.048 6.988 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.775 5.279 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.602 6.280 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.440 5.912 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.648 4.349 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.423 5.097 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.685 4.871 2.331 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.474 7.404 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.746 6.947 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.160 8.002 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.854 8.312 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.538 8.768 4.524 1.00 0.00 H new ATOM 667 N ASP A 50 -6.190 9.105 0.459 1.00 0.00 N ATOM 668 CA ASP A 50 -7.136 10.021 1.155 1.00 0.00 C ATOM 669 C ASP A 50 -7.616 11.104 0.187 1.00 0.00 C ATOM 670 O ASP A 50 -8.751 11.533 0.233 1.00 0.00 O ATOM 671 CB ASP A 50 -6.323 10.641 2.293 1.00 0.00 C ATOM 672 CG ASP A 50 -7.271 11.280 3.309 1.00 0.00 C ATOM 673 OD1 ASP A 50 -8.065 12.114 2.905 1.00 0.00 O ATOM 674 OD2 ASP A 50 -7.189 10.924 4.472 1.00 0.00 O ATOM 0 H ASP A 50 -5.202 9.278 0.645 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.021 9.504 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.715 9.877 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.638 11.391 1.898 1.00 0.00 H new ATOM 679 N GLN A 51 -6.759 11.544 -0.695 1.00 0.00 N ATOM 680 CA GLN A 51 -7.166 12.594 -1.671 1.00 0.00 C ATOM 681 C GLN A 51 -8.172 12.017 -2.670 1.00 0.00 C ATOM 682 O GLN A 51 -9.141 12.655 -3.030 1.00 0.00 O ATOM 683 CB GLN A 51 -5.874 12.998 -2.380 1.00 0.00 C ATOM 684 CG GLN A 51 -4.859 13.496 -1.349 1.00 0.00 C ATOM 685 CD GLN A 51 -3.454 13.456 -1.954 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.486 13.228 -1.257 1.00 0.00 O ATOM 687 NE2 GLN A 51 -3.303 13.671 -3.233 1.00 0.00 N ATOM 0 H GLN A 51 -5.795 11.221 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.647 13.446 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.466 12.148 -2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.078 13.779 -3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.105 14.513 -1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.899 12.875 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.117 13.862 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.371 13.648 -3.648 1.00 0.00 H new ATOM 696 N LEU A 52 -7.950 10.812 -3.118 1.00 0.00 N ATOM 697 CA LEU A 52 -8.895 10.193 -4.090 1.00 0.00 C ATOM 698 C LEU A 52 -10.317 10.215 -3.524 1.00 0.00 C ATOM 699 O LEU A 52 -11.278 10.427 -4.236 1.00 0.00 O ATOM 700 CB LEU A 52 -8.406 8.753 -4.258 1.00 0.00 C ATOM 701 CG LEU A 52 -7.789 8.581 -5.647 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.845 8.873 -6.714 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.618 9.553 -5.809 1.00 0.00 C ATOM 0 H LEU A 52 -7.156 10.229 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.921 10.726 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.670 8.516 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.236 8.059 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.431 7.558 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.406 8.751 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.679 8.181 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.204 9.896 -6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.178 9.431 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.976 10.576 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.865 9.345 -5.049 1.00 0.00 H new ATOM 715 N HIS A 53 -10.457 10.000 -2.244 1.00 0.00 N ATOM 716 CA HIS A 53 -11.815 10.013 -1.629 1.00 0.00 C ATOM 717 C HIS A 53 -12.421 11.414 -1.727 1.00 0.00 C ATOM 718 O HIS A 53 -13.504 11.599 -2.247 1.00 0.00 O ATOM 719 CB HIS A 53 -11.594 9.624 -0.168 1.00 0.00 C ATOM 720 CG HIS A 53 -12.079 8.218 0.056 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.621 7.807 1.264 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.111 7.117 -0.763 1.00 0.00 C ATOM 723 CE1 HIS A 53 -12.953 6.509 1.139 1.00 0.00 C ATOM 724 NE2 HIS A 53 -12.662 6.039 -0.078 1.00 0.00 N ATOM 0 H HIS A 53 -9.690 9.816 -1.598 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.503 9.332 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.536 9.699 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.127 10.313 0.487 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.761 7.092 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.400 5.919 1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.812 5.093 -0.429 1.00 0.00 H new ATOM 732 N GLN A 54 -11.729 12.406 -1.232 1.00 0.00 N ATOM 733 CA GLN A 54 -12.264 13.795 -1.300 1.00 0.00 C ATOM 734 C GLN A 54 -12.537 14.181 -2.756 1.00 0.00 C ATOM 735 O GLN A 54 -13.535 14.801 -3.068 1.00 0.00 O ATOM 736 CB GLN A 54 -11.162 14.674 -0.709 1.00 0.00 C ATOM 737 CG GLN A 54 -11.243 14.638 0.818 1.00 0.00 C ATOM 738 CD GLN A 54 -11.328 16.067 1.360 1.00 0.00 C ATOM 739 OE1 GLN A 54 -11.936 16.924 0.750 1.00 0.00 O ATOM 740 NE2 GLN A 54 -10.739 16.360 2.487 1.00 0.00 N ATOM 0 H GLN A 54 -10.817 12.313 -0.784 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.204 13.904 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.185 14.322 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.269 15.699 -1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.116 14.066 1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.367 14.134 1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.229 15.640 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.789 17.309 2.857 1.00 0.00 H new ATOM 749 N LEU A 55 -11.660 13.815 -3.649 1.00 0.00 N ATOM 750 CA LEU A 55 -11.870 14.157 -5.084 1.00 0.00 C ATOM 751 C LEU A 55 -13.232 13.639 -5.554 1.00 0.00 C ATOM 752 O LEU A 55 -13.846 14.194 -6.443 1.00 0.00 O ATOM 753 CB LEU A 55 -10.739 13.450 -5.832 1.00 0.00 C ATOM 754 CG LEU A 55 -9.582 14.426 -6.051 1.00 0.00 C ATOM 755 CD1 LEU A 55 -8.262 13.749 -5.677 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.541 14.843 -7.523 1.00 0.00 C ATOM 0 H LEU A 55 -10.807 13.294 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.861 15.233 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.397 12.586 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.100 13.077 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.727 15.307 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.439 14.446 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.290 13.450 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.115 12.868 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.717 15.539 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.396 13.961 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.481 15.327 -7.790 1.00 0.00 H new ATOM 768 N ARG A 56 -13.708 12.578 -4.961 1.00 0.00 N ATOM 769 CA ARG A 56 -15.031 12.026 -5.371 1.00 0.00 C ATOM 770 C ARG A 56 -16.118 13.090 -5.202 1.00 0.00 C ATOM 771 O ARG A 56 -16.738 13.516 -6.156 1.00 0.00 O ATOM 772 CB ARG A 56 -15.279 10.850 -4.427 1.00 0.00 C ATOM 773 CG ARG A 56 -16.518 10.078 -4.887 1.00 0.00 C ATOM 774 CD ARG A 56 -17.098 9.293 -3.708 1.00 0.00 C ATOM 775 NE ARG A 56 -18.119 8.392 -4.312 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.573 7.374 -3.634 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.879 7.514 -2.373 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.724 6.217 -4.217 1.00 0.00 N ATOM 0 H ARG A 56 -13.239 12.070 -4.211 1.00 0.00 H new ATOM 0 HA ARG A 56 -15.046 11.718 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.411 10.191 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -15.420 11.211 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -17.264 10.768 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.255 9.397 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.324 8.724 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.546 9.960 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.463 8.571 -5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.763 8.419 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.234 6.718 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.487 6.108 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.079 5.421 -3.687 1.00 0.00 H new ATOM 792 N GLU A 57 -16.353 13.524 -3.993 1.00 0.00 N ATOM 793 CA GLU A 57 -17.396 14.564 -3.766 1.00 0.00 C ATOM 794 C GLU A 57 -17.084 15.811 -4.596 1.00 0.00 C ATOM 795 O GLU A 57 -17.956 16.595 -4.913 1.00 0.00 O ATOM 796 CB GLU A 57 -17.324 14.880 -2.271 1.00 0.00 C ATOM 797 CG GLU A 57 -15.899 15.300 -1.906 1.00 0.00 C ATOM 798 CD GLU A 57 -15.918 16.081 -0.591 1.00 0.00 C ATOM 799 OE1 GLU A 57 -16.284 15.497 0.417 1.00 0.00 O ATOM 800 OE2 GLU A 57 -15.565 17.248 -0.612 1.00 0.00 O ATOM 0 H GLU A 57 -15.869 13.204 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 57 -18.389 14.226 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.024 15.678 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.617 14.006 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.263 14.420 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.475 15.915 -2.700 1.00 0.00 H new ATOM 807 N LEU A 58 -15.842 15.999 -4.951 1.00 0.00 N ATOM 808 CA LEU A 58 -15.468 17.191 -5.763 1.00 0.00 C ATOM 809 C LEU A 58 -16.154 17.139 -7.132 1.00 0.00 C ATOM 810 O LEU A 58 -16.286 18.139 -7.809 1.00 0.00 O ATOM 811 CB LEU A 58 -13.949 17.103 -5.920 1.00 0.00 C ATOM 812 CG LEU A 58 -13.352 18.511 -5.903 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.029 18.495 -5.134 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.100 18.975 -7.339 1.00 0.00 C ATOM 0 H LEU A 58 -15.069 15.377 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.776 18.124 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.523 16.506 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.698 16.601 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.048 19.195 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.603 19.498 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.207 18.164 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.333 17.812 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.675 19.978 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.404 18.291 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.041 18.986 -7.888 1.00 0.00 H new ATOM 826 N PHE A 59 -16.591 15.978 -7.545 1.00 0.00 N ATOM 827 CA PHE A 59 -17.267 15.858 -8.871 1.00 0.00 C ATOM 828 C PHE A 59 -18.344 16.936 -9.025 1.00 0.00 C ATOM 829 O PHE A 59 -18.552 17.471 -10.097 1.00 0.00 O ATOM 830 CB PHE A 59 -17.902 14.466 -8.865 1.00 0.00 C ATOM 831 CG PHE A 59 -18.646 14.244 -10.160 1.00 0.00 C ATOM 832 CD1 PHE A 59 -19.901 14.858 -10.368 1.00 0.00 C ATOM 833 CD2 PHE A 59 -18.086 13.421 -11.163 1.00 0.00 C ATOM 834 CE1 PHE A 59 -20.597 14.650 -11.580 1.00 0.00 C ATOM 835 CE2 PHE A 59 -18.782 13.213 -12.375 1.00 0.00 C ATOM 836 CZ PHE A 59 -20.038 13.826 -12.583 1.00 0.00 C ATOM 0 H PHE A 59 -16.509 15.107 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.571 15.989 -9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -17.132 13.704 -8.741 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -18.584 14.370 -8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.329 15.486 -9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -17.127 12.951 -11.003 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -21.556 15.121 -11.740 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -18.354 12.585 -13.143 1.00 0.00 H new ATOM 0 HZ PHE A 59 -20.571 13.665 -13.508 1.00 0.00 H new ATOM 846 N ILE A 60 -19.029 17.263 -7.963 1.00 0.00 N ATOM 847 CA ILE A 60 -20.087 18.308 -8.051 1.00 0.00 C ATOM 848 C ILE A 60 -19.449 19.692 -8.192 1.00 0.00 C ATOM 849 O ILE A 60 -19.947 20.548 -8.896 1.00 0.00 O ATOM 850 CB ILE A 60 -20.861 18.203 -6.737 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.544 16.837 -6.656 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.919 19.306 -6.676 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.862 16.511 -5.195 1.00 0.00 C ATOM 0 H ILE A 60 -18.901 16.851 -7.039 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.736 18.168 -8.915 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.171 18.316 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.460 16.841 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.896 16.069 -7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.470 19.230 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.433 20.280 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.609 19.195 -7.513 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.349 15.537 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.938 16.490 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.526 17.274 -4.788 1.00 0.00 H new ATOM 865 N ALA A 61 -18.348 19.917 -7.529 1.00 0.00 N ATOM 866 CA ALA A 61 -17.677 21.245 -7.626 1.00 0.00 C ATOM 867 C ALA A 61 -17.005 21.398 -8.995 1.00 0.00 C ATOM 868 O ALA A 61 -16.723 22.493 -9.439 1.00 0.00 O ATOM 869 CB ALA A 61 -16.630 21.242 -6.513 1.00 0.00 C ATOM 0 H ALA A 61 -17.884 19.239 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.380 22.072 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.091 22.189 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -17.123 21.110 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.928 20.424 -6.676 1.00 0.00 H new ATOM 875 N ALA A 62 -16.747 20.308 -9.667 1.00 0.00 N ATOM 876 CA ALA A 62 -16.095 20.395 -11.005 1.00 0.00 C ATOM 877 C ALA A 62 -17.153 20.383 -12.111 1.00 0.00 C ATOM 878 O ALA A 62 -17.276 21.318 -12.876 1.00 0.00 O ATOM 879 CB ALA A 62 -15.211 19.151 -11.094 1.00 0.00 C ATOM 0 H ALA A 62 -16.959 19.363 -9.348 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.521 21.313 -11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.694 19.140 -12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.478 19.167 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.830 18.258 -11.005 1.00 0.00 H new ATOM 1059 N PRO B 19 15.395 -20.211 10.006 1.00 0.00 N ATOM 1060 CA PRO B 19 14.953 -21.210 11.003 1.00 0.00 C ATOM 1061 C PRO B 19 13.490 -21.619 10.780 1.00 0.00 C ATOM 1062 O PRO B 19 12.837 -22.107 11.680 1.00 0.00 O ATOM 1063 CB PRO B 19 15.109 -20.470 12.327 1.00 0.00 C ATOM 1064 CG PRO B 19 15.010 -19.008 11.993 1.00 0.00 C ATOM 1065 CD PRO B 19 15.236 -18.842 10.506 1.00 0.00 C ATOM 0 HA PRO B 19 15.525 -22.137 10.952 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.332 -20.763 13.033 1.00 0.00 H new ATOM 0 HB3 PRO B 19 16.067 -20.701 12.793 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.031 -18.620 12.273 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.751 -18.439 12.555 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.394 -18.340 10.030 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.122 -18.240 10.304 1.00 0.00 H new ATOM 1073 N LYS B 20 12.974 -21.437 9.590 1.00 0.00 N ATOM 1074 CA LYS B 20 11.554 -21.823 9.300 1.00 0.00 C ATOM 1075 C LYS B 20 10.577 -20.949 10.097 1.00 0.00 C ATOM 1076 O LYS B 20 9.831 -20.173 9.534 1.00 0.00 O ATOM 1077 CB LYS B 20 11.423 -23.293 9.714 1.00 0.00 C ATOM 1078 CG LYS B 20 10.211 -23.914 9.017 1.00 0.00 C ATOM 1079 CD LYS B 20 8.928 -23.406 9.677 1.00 0.00 C ATOM 1080 CE LYS B 20 7.873 -24.514 9.663 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.756 -23.969 8.843 1.00 0.00 N ATOM 0 H LYS B 20 13.478 -21.035 8.800 1.00 0.00 H new ATOM 0 HA LYS B 20 11.313 -21.682 8.246 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.328 -23.839 9.448 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.312 -23.369 10.796 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.215 -23.655 7.958 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.259 -25.001 9.080 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.132 -23.096 10.702 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.557 -22.529 9.147 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.270 -25.432 9.230 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.541 -24.756 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.992 -24.672 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.394 -23.099 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.101 -23.754 7.886 1.00 0.00 H new ATOM 1095 N ALA B 21 10.573 -21.070 11.399 1.00 0.00 N ATOM 1096 CA ALA B 21 9.641 -20.245 12.231 1.00 0.00 C ATOM 1097 C ALA B 21 9.699 -18.777 11.799 1.00 0.00 C ATOM 1098 O ALA B 21 8.691 -18.157 11.527 1.00 0.00 O ATOM 1099 CB ALA B 21 10.147 -20.403 13.665 1.00 0.00 C ATOM 0 H ALA B 21 11.175 -21.704 11.924 1.00 0.00 H new ATOM 0 HA ALA B 21 8.604 -20.563 12.126 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.514 -19.826 14.340 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.115 -21.455 13.948 1.00 0.00 H new ATOM 0 HB3 ALA B 21 11.173 -20.041 13.731 1.00 0.00 H new ATOM 1105 N LEU B 22 10.876 -18.220 11.724 1.00 0.00 N ATOM 1106 CA LEU B 22 11.003 -16.798 11.296 1.00 0.00 C ATOM 1107 C LEU B 22 10.632 -16.677 9.813 1.00 0.00 C ATOM 1108 O LEU B 22 9.736 -15.946 9.442 1.00 0.00 O ATOM 1109 CB LEU B 22 12.485 -16.452 11.539 1.00 0.00 C ATOM 1110 CG LEU B 22 12.906 -15.208 10.737 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.871 -14.094 10.908 1.00 0.00 C ATOM 1112 CD2 LEU B 22 14.265 -14.719 11.240 1.00 0.00 C ATOM 0 H LEU B 22 11.756 -18.688 11.941 1.00 0.00 H new ATOM 0 HA LEU B 22 10.343 -16.121 11.839 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.650 -16.275 12.602 1.00 0.00 H new ATOM 0 HB3 LEU B 22 13.110 -17.299 11.256 1.00 0.00 H new ATOM 0 HG LEU B 22 12.973 -15.471 9.681 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.180 -13.219 10.336 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.902 -14.439 10.548 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.793 -13.829 11.962 1.00 0.00 H new ATOM 0 HD21 LEU B 22 14.567 -13.838 10.674 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.191 -14.464 12.297 1.00 0.00 H new ATOM 0 HD23 LEU B 22 15.007 -15.507 11.108 1.00 0.00 H new ATOM 1124 N GLN B 23 11.321 -17.395 8.970 1.00 0.00 N ATOM 1125 CA GLN B 23 11.029 -17.343 7.505 1.00 0.00 C ATOM 1126 C GLN B 23 9.522 -17.449 7.249 1.00 0.00 C ATOM 1127 O GLN B 23 8.936 -16.626 6.575 1.00 0.00 O ATOM 1128 CB GLN B 23 11.752 -18.558 6.922 1.00 0.00 C ATOM 1129 CG GLN B 23 12.111 -18.286 5.461 1.00 0.00 C ATOM 1130 CD GLN B 23 12.661 -19.563 4.823 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.689 -19.539 4.175 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.015 -20.686 4.979 1.00 0.00 N ATOM 0 H GLN B 23 12.081 -18.022 9.233 1.00 0.00 H new ATOM 0 HA GLN B 23 11.358 -16.406 7.055 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.654 -18.767 7.496 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.117 -19.441 6.993 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.230 -17.945 4.917 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.852 -17.489 5.400 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.152 -20.707 5.523 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.373 -21.543 4.557 1.00 0.00 H new ATOM 1141 N GLN B 24 8.894 -18.459 7.785 1.00 0.00 N ATOM 1142 CA GLN B 24 7.426 -18.619 7.574 1.00 0.00 C ATOM 1143 C GLN B 24 6.681 -17.381 8.080 1.00 0.00 C ATOM 1144 O GLN B 24 5.678 -16.979 7.524 1.00 0.00 O ATOM 1145 CB GLN B 24 7.039 -19.850 8.395 1.00 0.00 C ATOM 1146 CG GLN B 24 5.907 -20.599 7.690 1.00 0.00 C ATOM 1147 CD GLN B 24 4.637 -20.522 8.540 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.563 -21.118 9.597 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.628 -19.810 8.121 1.00 0.00 N ATOM 0 H GLN B 24 9.332 -19.180 8.359 1.00 0.00 H new ATOM 0 HA GLN B 24 7.171 -18.735 6.521 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.902 -20.505 8.517 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.723 -19.549 9.394 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.726 -20.165 6.707 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.189 -21.640 7.532 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.690 -19.310 7.234 1.00 0.00 H new ATOM 0 HE22 GLN B 24 2.777 -19.753 8.680 1.00 0.00 H new ATOM 1158 N LYS B 25 7.164 -16.773 9.128 1.00 0.00 N ATOM 1159 CA LYS B 25 6.482 -15.561 9.668 1.00 0.00 C ATOM 1160 C LYS B 25 6.652 -14.386 8.702 1.00 0.00 C ATOM 1161 O LYS B 25 5.695 -13.745 8.313 1.00 0.00 O ATOM 1162 CB LYS B 25 7.183 -15.270 10.996 1.00 0.00 C ATOM 1163 CG LYS B 25 6.224 -15.558 12.153 1.00 0.00 C ATOM 1164 CD LYS B 25 6.244 -17.053 12.473 1.00 0.00 C ATOM 1165 CE LYS B 25 5.019 -17.411 13.318 1.00 0.00 C ATOM 1166 NZ LYS B 25 5.367 -18.703 13.971 1.00 0.00 N ATOM 0 H LYS B 25 8.001 -17.062 9.634 1.00 0.00 H new ATOM 0 HA LYS B 25 5.411 -15.713 9.798 1.00 0.00 H new ATOM 0 HB2 LYS B 25 8.078 -15.885 11.090 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.507 -14.230 11.028 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.515 -14.983 13.032 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.214 -15.246 11.888 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.245 -17.633 11.550 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.157 -17.308 13.011 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.810 -16.638 14.058 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.127 -17.509 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 4.575 -19.014 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 5.554 -19.421 13.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.216 -18.577 14.559 1.00 0.00 H new ATOM 1180 N ILE B 26 7.864 -14.098 8.310 1.00 0.00 N ATOM 1181 CA ILE B 26 8.092 -12.964 7.368 1.00 0.00 C ATOM 1182 C ILE B 26 7.215 -13.125 6.123 1.00 0.00 C ATOM 1183 O ILE B 26 6.447 -12.251 5.776 1.00 0.00 O ATOM 1184 CB ILE B 26 9.572 -13.051 6.994 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.427 -12.820 8.243 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.901 -11.983 5.950 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.796 -13.475 8.052 1.00 0.00 C ATOM 0 H ILE B 26 8.704 -14.598 8.600 1.00 0.00 H new ATOM 0 HA ILE B 26 7.839 -12.002 7.813 1.00 0.00 H new ATOM 0 HB ILE B 26 9.784 -14.038 6.583 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.545 -11.752 8.423 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.931 -13.238 9.119 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.956 -12.046 5.685 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.293 -12.145 5.060 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.689 -10.996 6.360 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.405 -13.311 8.941 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.668 -14.546 7.892 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.292 -13.036 7.186 1.00 0.00 H new ATOM 1199 N HIS B 27 7.326 -14.235 5.447 1.00 0.00 N ATOM 1200 CA HIS B 27 6.498 -14.450 4.225 1.00 0.00 C ATOM 1201 C HIS B 27 5.010 -14.365 4.571 1.00 0.00 C ATOM 1202 O HIS B 27 4.183 -14.078 3.728 1.00 0.00 O ATOM 1203 CB HIS B 27 6.859 -15.856 3.744 1.00 0.00 C ATOM 1204 CG HIS B 27 6.737 -15.921 2.247 1.00 0.00 C ATOM 1205 ND1 HIS B 27 5.814 -15.159 1.547 1.00 0.00 N ATOM 1206 CD2 HIS B 27 7.414 -16.651 1.302 1.00 0.00 C ATOM 1207 CE1 HIS B 27 5.959 -15.446 0.241 1.00 0.00 C ATOM 1208 NE2 HIS B 27 6.922 -16.350 0.036 1.00 0.00 N ATOM 0 H HIS B 27 7.954 -15.002 5.687 1.00 0.00 H new ATOM 0 HA HIS B 27 6.688 -13.697 3.460 1.00 0.00 H new ATOM 0 HB2 HIS B 27 7.876 -16.106 4.048 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.199 -16.590 4.205 1.00 0.00 H new ATOM 0 HD1 HIS B 27 5.147 -14.501 1.949 1.00 0.00 H new ATOM 0 HD2 HIS B 27 8.208 -17.353 1.510 1.00 0.00 H new ATOM 0 HE1 HIS B 27 5.369 -15.000 -0.546 1.00 0.00 H new ATOM 1216 N GLU B 28 4.662 -14.613 5.804 1.00 0.00 N ATOM 1217 CA GLU B 28 3.226 -14.546 6.201 1.00 0.00 C ATOM 1218 C GLU B 28 2.781 -13.087 6.334 1.00 0.00 C ATOM 1219 O GLU B 28 1.772 -12.685 5.790 1.00 0.00 O ATOM 1220 CB GLU B 28 3.156 -15.253 7.555 1.00 0.00 C ATOM 1221 CG GLU B 28 2.687 -16.695 7.354 1.00 0.00 C ATOM 1222 CD GLU B 28 1.166 -16.721 7.199 1.00 0.00 C ATOM 1223 OE1 GLU B 28 0.487 -16.796 8.211 1.00 0.00 O ATOM 1224 OE2 GLU B 28 0.704 -16.664 6.072 1.00 0.00 O ATOM 0 H GLU B 28 5.309 -14.859 6.553 1.00 0.00 H new ATOM 0 HA GLU B 28 2.572 -15.011 5.464 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.135 -15.241 8.034 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.470 -14.725 8.218 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.160 -17.123 6.470 1.00 0.00 H new ATOM 0 HG3 GLU B 28 2.987 -17.308 8.204 1.00 0.00 H new ATOM 1231 N LEU B 29 3.526 -12.293 7.052 1.00 0.00 N ATOM 1232 CA LEU B 29 3.144 -10.861 7.219 1.00 0.00 C ATOM 1233 C LEU B 29 3.323 -10.108 5.898 1.00 0.00 C ATOM 1234 O LEU B 29 2.528 -9.262 5.542 1.00 0.00 O ATOM 1235 CB LEU B 29 4.101 -10.318 8.280 1.00 0.00 C ATOM 1236 CG LEU B 29 3.687 -10.839 9.657 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.814 -10.586 10.660 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.422 -10.111 10.117 1.00 0.00 C ATOM 0 H LEU B 29 4.382 -12.573 7.530 1.00 0.00 H new ATOM 0 HA LEU B 29 2.101 -10.743 7.512 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.122 -10.626 8.055 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.088 -9.228 8.273 1.00 0.00 H new ATOM 0 HG LEU B 29 3.490 -11.909 9.596 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.518 -10.958 11.641 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.716 -11.104 10.333 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.012 -9.516 10.722 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.126 -10.481 11.098 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.620 -9.041 10.177 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.618 -10.292 9.403 1.00 0.00 H new ATOM 1250 N GLU B 30 4.362 -10.409 5.169 1.00 0.00 N ATOM 1251 CA GLU B 30 4.591 -9.711 3.871 1.00 0.00 C ATOM 1252 C GLU B 30 3.416 -9.960 2.922 1.00 0.00 C ATOM 1253 O GLU B 30 2.859 -9.042 2.353 1.00 0.00 O ATOM 1254 CB GLU B 30 5.874 -10.326 3.312 1.00 0.00 C ATOM 1255 CG GLU B 30 6.533 -9.342 2.344 1.00 0.00 C ATOM 1256 CD GLU B 30 7.248 -10.117 1.236 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.801 -11.206 0.918 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.232 -9.607 0.724 1.00 0.00 O ATOM 0 H GLU B 30 5.063 -11.108 5.415 1.00 0.00 H new ATOM 0 HA GLU B 30 4.677 -8.631 3.992 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.559 -10.566 4.125 1.00 0.00 H new ATOM 0 HB3 GLU B 30 5.648 -11.261 2.799 1.00 0.00 H new ATOM 0 HG2 GLU B 30 5.781 -8.681 1.913 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.244 -8.711 2.878 1.00 0.00 H new ATOM 1265 N GLY B 31 3.035 -11.196 2.746 1.00 0.00 N ATOM 1266 CA GLY B 31 1.897 -11.501 1.833 1.00 0.00 C ATOM 1267 C GLY B 31 0.627 -10.832 2.358 1.00 0.00 C ATOM 1268 O GLY B 31 -0.216 -10.397 1.600 1.00 0.00 O ATOM 0 H GLY B 31 3.462 -12.007 3.194 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.119 -11.145 0.827 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.751 -12.579 1.765 1.00 0.00 H new ATOM 1272 N LEU B 32 0.484 -10.745 3.653 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.734 -10.102 4.226 1.00 0.00 C ATOM 1274 C LEU B 32 -0.666 -8.584 4.042 1.00 0.00 C ATOM 1275 O LEU B 32 -1.676 -7.910 3.979 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.706 -10.464 5.712 1.00 0.00 C ATOM 1277 CG LEU B 32 -2.122 -10.378 6.285 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.908 -11.632 5.894 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -2.048 -10.281 7.811 1.00 0.00 C ATOM 0 H LEU B 32 1.156 -11.091 4.338 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.649 -10.439 3.740 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.309 -11.470 5.845 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -0.043 -9.786 6.250 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.622 -9.495 5.886 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.917 -11.571 6.302 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.960 -11.705 4.808 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.408 -12.514 6.293 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.056 -10.220 8.221 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.548 -11.164 8.208 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.487 -9.390 8.092 1.00 0.00 H new ATOM 1291 N MET B 33 0.517 -8.040 3.956 1.00 0.00 N ATOM 1292 CA MET B 33 0.652 -6.566 3.776 1.00 0.00 C ATOM 1293 C MET B 33 0.420 -6.184 2.310 1.00 0.00 C ATOM 1294 O MET B 33 0.005 -5.084 2.004 1.00 0.00 O ATOM 1295 CB MET B 33 2.090 -6.252 4.198 1.00 0.00 C ATOM 1296 CG MET B 33 2.412 -4.786 3.892 1.00 0.00 C ATOM 1297 SD MET B 33 3.270 -4.677 2.302 1.00 0.00 S ATOM 1298 CE MET B 33 4.959 -4.721 2.951 1.00 0.00 C ATOM 0 H MET B 33 1.397 -8.553 4.003 1.00 0.00 H new ATOM 0 HA MET B 33 -0.077 -6.007 4.362 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.217 -6.447 5.263 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.785 -6.905 3.669 1.00 0.00 H new ATOM 0 HG2 MET B 33 1.494 -4.199 3.863 1.00 0.00 H new ATOM 0 HG3 MET B 33 3.034 -4.366 4.683 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.622 -5.169 2.211 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.292 -3.706 3.168 1.00 0.00 H new ATOM 0 HE3 MET B 33 4.982 -5.314 3.865 1.00 0.00 H new ATOM 1308 N MET B 34 0.689 -7.081 1.402 1.00 0.00 N ATOM 1309 CA MET B 34 0.487 -6.764 -0.042 1.00 0.00 C ATOM 1310 C MET B 34 -0.997 -6.858 -0.407 1.00 0.00 C ATOM 1311 O MET B 34 -1.550 -5.971 -1.025 1.00 0.00 O ATOM 1312 CB MET B 34 1.292 -7.822 -0.796 1.00 0.00 C ATOM 1313 CG MET B 34 2.778 -7.457 -0.756 1.00 0.00 C ATOM 1314 SD MET B 34 3.307 -6.883 -2.390 1.00 0.00 S ATOM 1315 CE MET B 34 3.481 -5.132 -1.971 1.00 0.00 C ATOM 0 H MET B 34 1.040 -8.019 1.596 1.00 0.00 H new ATOM 0 HA MET B 34 0.809 -5.752 -0.289 1.00 0.00 H new ATOM 0 HB2 MET B 34 1.135 -8.802 -0.346 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.950 -7.887 -1.829 1.00 0.00 H new ATOM 0 HG2 MET B 34 2.952 -6.679 -0.012 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.368 -8.323 -0.455 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.613 -4.551 -2.884 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.586 -4.792 -1.451 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.349 -4.997 -1.326 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.646 -7.928 -0.034 1.00 0.00 N ATOM 1326 CA GLN B 35 -3.093 -8.078 -0.364 1.00 0.00 C ATOM 1327 C GLN B 35 -3.874 -6.836 0.077 1.00 0.00 C ATOM 1328 O GLN B 35 -4.837 -6.442 -0.550 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.553 -9.307 0.420 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.356 -9.061 1.917 1.00 0.00 C ATOM 1331 CD GLN B 35 -3.805 -10.296 2.700 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.611 -10.195 3.605 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.315 -11.465 2.389 1.00 0.00 N ATOM 0 H GLN B 35 -1.237 -8.705 0.485 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.260 -8.190 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -4.602 -9.514 0.210 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.986 -10.184 0.107 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -2.308 -8.846 2.126 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -3.930 -8.189 2.232 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.639 -11.549 1.630 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.608 -12.295 2.905 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.466 -6.216 1.150 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.186 -5.001 1.628 1.00 0.00 C ATOM 1344 C HIS B 36 -3.818 -3.793 0.759 1.00 0.00 C ATOM 1345 O HIS B 36 -4.653 -3.232 0.078 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.709 -4.801 3.066 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.207 -5.933 3.922 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.214 -6.789 3.504 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -3.847 -6.361 5.176 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.423 -7.681 4.490 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -4.616 -7.465 5.533 1.00 0.00 N ATOM 0 H HIS B 36 -2.666 -6.498 1.716 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.269 -5.110 1.572 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.620 -4.760 3.097 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.075 -3.850 3.453 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -3.083 -5.910 5.792 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.154 -8.475 4.444 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.573 -7.995 6.403 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.570 -3.394 0.771 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.138 -2.229 -0.062 1.00 0.00 C ATOM 1361 C ALA B 37 -2.673 -2.379 -1.490 1.00 0.00 C ATOM 1362 O ALA B 37 -3.055 -1.418 -2.128 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.610 -2.290 -0.054 1.00 0.00 C ATOM 0 H ALA B 37 -1.830 -3.826 1.324 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.512 -1.280 0.321 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.210 -1.466 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.248 -2.210 0.971 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.281 -3.237 -0.482 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.714 -3.586 -1.991 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.237 -3.807 -3.369 1.00 0.00 C ATOM 1371 C GLN B 38 -4.749 -3.580 -3.382 1.00 0.00 C ATOM 1372 O GLN B 38 -5.307 -3.087 -4.343 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.909 -5.265 -3.692 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.565 -5.337 -4.420 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.594 -6.483 -5.434 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.163 -7.581 -5.141 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.087 -6.272 -6.624 1.00 0.00 N ATOM 0 H GLN B 38 -2.407 -4.428 -1.504 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.798 -3.127 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.869 -5.852 -2.774 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.694 -5.697 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.363 -4.394 -4.927 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.759 -5.492 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.449 -5.351 -6.870 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -2.111 -7.029 -7.308 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.412 -3.920 -2.309 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.886 -3.711 -2.242 1.00 0.00 C ATOM 1388 C ASN B 39 -7.185 -2.349 -1.604 1.00 0.00 C ATOM 1389 O ASN B 39 -8.270 -2.104 -1.114 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.410 -4.845 -1.360 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.867 -6.008 -2.243 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -8.777 -5.864 -3.034 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.269 -7.164 -2.139 1.00 0.00 N ATOM 0 H ASN B 39 -4.995 -4.334 -1.475 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.355 -3.718 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.630 -5.178 -0.676 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.240 -4.491 -0.748 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.566 -7.946 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.505 -7.285 -1.475 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.225 -1.461 -1.612 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.430 -0.111 -1.014 1.00 0.00 C ATOM 1402 C LEU B 40 -6.815 -0.220 0.461 1.00 0.00 C ATOM 1403 O LEU B 40 -7.418 0.674 1.021 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.561 0.529 -1.824 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.977 1.568 -2.782 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -7.482 1.298 -4.200 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.415 2.967 -2.343 1.00 0.00 C ATOM 0 H LEU B 40 -5.299 -1.616 -2.011 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.519 0.486 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.099 -0.236 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.281 1.000 -1.155 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.889 1.505 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.065 2.039 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.171 0.301 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.570 1.361 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.000 3.709 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.503 3.029 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.055 3.161 -1.333 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.454 -1.294 1.104 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.783 -1.437 2.550 1.00 0.00 C ATOM 1421 C GLU B 41 -5.935 -0.452 3.353 1.00 0.00 C ATOM 1422 O GLU B 41 -6.432 0.295 4.172 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.421 -2.879 2.903 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.699 -3.678 3.166 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.329 -3.214 4.481 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -7.609 -2.668 5.301 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -9.522 -3.412 4.645 1.00 0.00 O ATOM 0 H GLU B 41 -5.947 -2.078 0.693 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.830 -1.227 2.771 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.857 -3.333 2.088 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -5.780 -2.899 3.784 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.402 -3.540 2.345 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.471 -4.743 3.215 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.654 -0.439 3.104 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.750 0.501 3.824 1.00 0.00 C ATOM 1436 C PHE B 42 -3.990 0.448 5.332 1.00 0.00 C ATOM 1437 O PHE B 42 -4.773 -0.343 5.812 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.095 1.882 3.273 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.228 2.170 2.073 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.828 2.002 2.159 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.814 2.608 0.865 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.014 2.272 1.037 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -2.999 2.878 -0.257 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.599 2.711 -0.170 1.00 0.00 C ATOM 0 H PHE B 42 -4.191 -1.045 2.426 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.701 0.248 3.673 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.148 1.922 2.994 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.939 2.641 4.039 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.380 1.667 3.083 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.884 2.736 0.799 1.00 0.00 H new ATOM 0 HE1 PHE B 42 0.056 2.143 1.103 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.446 3.212 -1.181 1.00 0.00 H new ATOM 0 HZ PHE B 42 -0.976 2.919 -1.027 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.285 1.278 6.066 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.391 1.319 7.557 1.00 0.00 C ATOM 1456 C GLU B 43 -2.866 0.011 8.131 1.00 0.00 C ATOM 1457 O GLU B 43 -1.885 -0.025 8.843 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.875 1.519 7.891 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.057 1.463 9.407 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.545 1.339 9.740 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.040 0.224 9.744 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.164 2.361 9.984 1.00 0.00 O ATOM 0 H GLU B 43 -2.621 1.948 5.678 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.801 2.128 7.987 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.221 2.478 7.506 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.476 0.747 7.411 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.510 0.615 9.818 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.645 2.361 9.867 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.507 -1.060 7.802 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.056 -2.392 8.289 1.00 0.00 C ATOM 1471 C GLU B 44 -1.925 -2.914 7.396 1.00 0.00 C ATOM 1472 O GLU B 44 -1.070 -3.660 7.831 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.291 -3.295 8.195 1.00 0.00 C ATOM 1474 CG GLU B 44 -4.700 -3.475 6.730 1.00 0.00 C ATOM 1475 CD GLU B 44 -5.846 -4.486 6.638 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.450 -4.765 7.661 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -6.101 -4.963 5.544 1.00 0.00 O ATOM 0 H GLU B 44 -4.336 -1.078 7.209 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.667 -2.356 9.307 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.077 -4.265 8.643 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.115 -2.858 8.760 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.010 -2.519 6.308 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -3.849 -3.821 6.144 1.00 0.00 H new ATOM 1484 N ALA B 45 -1.926 -2.535 6.144 1.00 0.00 N ATOM 1485 CA ALA B 45 -0.863 -3.018 5.214 1.00 0.00 C ATOM 1486 C ALA B 45 0.427 -2.211 5.380 1.00 0.00 C ATOM 1487 O ALA B 45 1.507 -2.761 5.470 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.440 -2.803 3.816 1.00 0.00 C ATOM 0 H ALA B 45 -2.617 -1.912 5.726 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.604 -4.059 5.407 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.718 -3.134 3.070 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.360 -3.377 3.710 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.654 -1.744 3.670 1.00 0.00 H new ATOM 1494 N ALA B 46 0.330 -0.911 5.402 1.00 0.00 N ATOM 1495 CA ALA B 46 1.559 -0.078 5.538 1.00 0.00 C ATOM 1496 C ALA B 46 2.171 -0.236 6.933 1.00 0.00 C ATOM 1497 O ALA B 46 3.335 0.044 7.142 1.00 0.00 O ATOM 1498 CB ALA B 46 1.093 1.357 5.299 1.00 0.00 C ATOM 0 H ALA B 46 -0.544 -0.390 5.332 1.00 0.00 H new ATOM 0 HA ALA B 46 2.336 -0.373 4.832 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.943 2.034 5.382 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.661 1.438 4.302 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.342 1.624 6.042 1.00 0.00 H new ATOM 1504 N GLN B 47 1.407 -0.690 7.889 1.00 0.00 N ATOM 1505 CA GLN B 47 1.968 -0.872 9.259 1.00 0.00 C ATOM 1506 C GLN B 47 2.783 -2.165 9.315 1.00 0.00 C ATOM 1507 O GLN B 47 3.920 -2.175 9.740 1.00 0.00 O ATOM 1508 CB GLN B 47 0.757 -0.962 10.182 1.00 0.00 C ATOM 1509 CG GLN B 47 0.673 0.296 11.053 1.00 0.00 C ATOM 1510 CD GLN B 47 0.630 1.543 10.165 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -0.266 1.701 9.361 1.00 0.00 O ATOM 1512 NE2 GLN B 47 1.569 2.441 10.279 1.00 0.00 N ATOM 0 H GLN B 47 0.424 -0.942 7.782 1.00 0.00 H new ATOM 0 HA GLN B 47 2.632 -0.057 9.547 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.154 -1.069 9.593 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.834 -1.848 10.813 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.217 0.255 11.681 1.00 0.00 H new ATOM 0 HG3 GLN B 47 1.533 0.344 11.721 1.00 0.00 H new ATOM 0 HE21 GLN B 47 2.322 2.309 10.954 1.00 0.00 H new ATOM 0 HE22 GLN B 47 1.550 3.276 9.693 1.00 0.00 H new ATOM 1521 N ILE B 48 2.212 -3.260 8.878 1.00 0.00 N ATOM 1522 CA ILE B 48 2.963 -4.551 8.894 1.00 0.00 C ATOM 1523 C ILE B 48 4.322 -4.354 8.222 1.00 0.00 C ATOM 1524 O ILE B 48 5.302 -4.982 8.572 1.00 0.00 O ATOM 1525 CB ILE B 48 2.097 -5.525 8.094 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.785 -5.771 8.843 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.839 -6.851 7.921 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.153 -6.606 7.969 1.00 0.00 C ATOM 0 H ILE B 48 1.261 -3.315 8.512 1.00 0.00 H new ATOM 0 HA ILE B 48 3.150 -4.920 9.902 1.00 0.00 H new ATOM 0 HB ILE B 48 1.885 -5.099 7.113 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.981 -6.289 9.782 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.314 -4.821 9.095 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.219 -7.543 7.351 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.774 -6.678 7.388 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.053 -7.279 8.900 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.087 -6.781 8.502 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.359 -6.071 7.042 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.318 -7.562 7.739 1.00 0.00 H new ATOM 1540 N ARG B 49 4.385 -3.466 7.270 1.00 0.00 N ATOM 1541 CA ARG B 49 5.676 -3.195 6.581 1.00 0.00 C ATOM 1542 C ARG B 49 6.731 -2.811 7.627 1.00 0.00 C ATOM 1543 O ARG B 49 7.918 -2.966 7.413 1.00 0.00 O ATOM 1544 CB ARG B 49 5.356 -2.031 5.627 1.00 0.00 C ATOM 1545 CG ARG B 49 6.638 -1.318 5.178 1.00 0.00 C ATOM 1546 CD ARG B 49 6.624 0.123 5.697 1.00 0.00 C ATOM 1547 NE ARG B 49 6.450 0.008 7.174 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.369 0.473 7.975 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.618 0.140 7.798 1.00 0.00 N ATOM 1550 NH2 ARG B 49 7.039 1.273 8.952 1.00 0.00 N ATOM 0 H ARG B 49 3.594 -2.914 6.938 1.00 0.00 H new ATOM 0 HA ARG B 49 6.078 -4.050 6.037 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.821 -2.408 4.755 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.696 -1.320 6.124 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.513 -1.845 5.558 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.709 -1.324 4.090 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.551 0.639 5.449 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.811 0.695 5.249 1.00 0.00 H new ATOM 0 HE ARG B 49 5.614 -0.433 7.557 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.876 -0.484 7.033 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.336 0.504 8.424 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.063 1.535 9.089 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.757 1.637 9.578 1.00 0.00 H new ATOM 1564 N ASP B 50 6.304 -2.322 8.760 1.00 0.00 N ATOM 1565 CA ASP B 50 7.275 -1.940 9.822 1.00 0.00 C ATOM 1566 C ASP B 50 7.740 -3.189 10.573 1.00 0.00 C ATOM 1567 O ASP B 50 8.879 -3.295 10.980 1.00 0.00 O ATOM 1568 CB ASP B 50 6.500 -1.008 10.754 1.00 0.00 C ATOM 1569 CG ASP B 50 7.482 -0.241 11.642 1.00 0.00 C ATOM 1570 OD1 ASP B 50 8.272 -0.884 12.313 1.00 0.00 O ATOM 1571 OD2 ASP B 50 7.427 0.978 11.636 1.00 0.00 O ATOM 0 H ASP B 50 5.323 -2.171 8.995 1.00 0.00 H new ATOM 0 HA ASP B 50 8.165 -1.457 9.419 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.900 -0.310 10.171 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.810 -1.584 11.370 1.00 0.00 H new ATOM 1576 N GLN B 51 6.863 -4.139 10.757 1.00 0.00 N ATOM 1577 CA GLN B 51 7.253 -5.383 11.478 1.00 0.00 C ATOM 1578 C GLN B 51 8.226 -6.199 10.622 1.00 0.00 C ATOM 1579 O GLN B 51 9.191 -6.749 11.115 1.00 0.00 O ATOM 1580 CB GLN B 51 5.946 -6.149 11.684 1.00 0.00 C ATOM 1581 CG GLN B 51 4.963 -5.279 12.472 1.00 0.00 C ATOM 1582 CD GLN B 51 3.543 -5.816 12.284 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.591 -5.061 12.280 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.358 -7.099 12.127 1.00 0.00 N ATOM 0 H GLN B 51 5.894 -4.107 10.439 1.00 0.00 H new ATOM 0 HA GLN B 51 7.754 -5.176 12.424 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.516 -6.421 10.720 1.00 0.00 H new ATOM 0 HB3 GLN B 51 6.137 -7.078 12.221 1.00 0.00 H new ATOM 0 HG2 GLN B 51 5.227 -5.280 13.530 1.00 0.00 H new ATOM 0 HG3 GLN B 51 5.021 -4.246 12.130 1.00 0.00 H new ATOM 0 HE21 GLN B 51 4.157 -7.734 12.130 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.415 -7.467 12.001 1.00 0.00 H new ATOM 1593 N LEU B 52 7.981 -6.278 9.343 1.00 0.00 N ATOM 1594 CA LEU B 52 8.894 -7.054 8.456 1.00 0.00 C ATOM 1595 C LEU B 52 10.331 -6.551 8.616 1.00 0.00 C ATOM 1596 O LEU B 52 11.273 -7.317 8.601 1.00 0.00 O ATOM 1597 CB LEU B 52 8.386 -6.790 7.037 1.00 0.00 C ATOM 1598 CG LEU B 52 7.731 -8.057 6.485 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.760 -9.188 6.442 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.565 -8.464 7.390 1.00 0.00 C ATOM 0 H LEU B 52 7.189 -5.839 8.874 1.00 0.00 H new ATOM 0 HA LEU B 52 8.900 -8.118 8.693 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.668 -5.970 7.043 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.212 -6.486 6.394 1.00 0.00 H new ATOM 0 HG LEU B 52 7.361 -7.864 5.478 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.292 -10.091 6.049 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.591 -8.900 5.798 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.131 -9.381 7.449 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.098 -9.367 6.997 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.936 -8.656 8.397 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.830 -7.659 7.421 1.00 0.00 H new ATOM 1612 N HIS B 53 10.503 -5.266 8.775 1.00 0.00 N ATOM 1613 CA HIS B 53 11.878 -4.714 8.940 1.00 0.00 C ATOM 1614 C HIS B 53 12.494 -5.223 10.246 1.00 0.00 C ATOM 1615 O HIS B 53 13.563 -5.800 10.257 1.00 0.00 O ATOM 1616 CB HIS B 53 11.693 -3.198 8.990 1.00 0.00 C ATOM 1617 CG HIS B 53 12.172 -2.592 7.699 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.743 -1.330 7.642 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.171 -3.062 6.409 1.00 0.00 C ATOM 1620 CE1 HIS B 53 13.059 -1.087 6.357 1.00 0.00 C ATOM 1621 NE2 HIS B 53 12.732 -2.110 5.563 1.00 0.00 N ATOM 0 H HIS B 53 9.752 -4.576 8.798 1.00 0.00 H new ATOM 0 HA HIS B 53 12.546 -5.015 8.133 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.643 -2.954 9.151 1.00 0.00 H new ATOM 0 HB3 HIS B 53 12.250 -2.780 9.829 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.792 -4.024 6.098 1.00 0.00 H new ATOM 0 HE1 HIS B 53 13.521 -0.175 6.009 1.00 0.00 H new ATOM 0 HE2 HIS B 53 12.865 -2.179 4.554 1.00 0.00 H new ATOM 1629 N GLN B 54 11.824 -5.017 11.347 1.00 0.00 N ATOM 1630 CA GLN B 54 12.370 -5.493 12.651 1.00 0.00 C ATOM 1631 C GLN B 54 12.607 -7.004 12.599 1.00 0.00 C ATOM 1632 O GLN B 54 13.601 -7.503 13.088 1.00 0.00 O ATOM 1633 CB GLN B 54 11.292 -5.152 13.681 1.00 0.00 C ATOM 1634 CG GLN B 54 11.415 -3.681 14.081 1.00 0.00 C ATOM 1635 CD GLN B 54 11.527 -3.574 15.603 1.00 0.00 C ATOM 1636 OE1 GLN B 54 12.126 -4.417 16.241 1.00 0.00 O ATOM 1637 NE2 GLN B 54 10.972 -2.564 16.217 1.00 0.00 N ATOM 0 H GLN B 54 10.924 -4.541 11.401 1.00 0.00 H new ATOM 0 HA GLN B 54 13.325 -5.029 12.896 1.00 0.00 H new ATOM 0 HB2 GLN B 54 10.303 -5.345 13.265 1.00 0.00 H new ATOM 0 HB3 GLN B 54 11.399 -5.789 14.559 1.00 0.00 H new ATOM 0 HG2 GLN B 54 12.291 -3.237 13.609 1.00 0.00 H new ATOM 0 HG3 GLN B 54 10.547 -3.124 13.729 1.00 0.00 H new ATOM 0 HE21 GLN B 54 10.469 -1.856 15.682 1.00 0.00 H new ATOM 0 HE22 GLN B 54 11.042 -2.483 17.231 1.00 0.00 H new ATOM 1646 N LEU B 55 11.702 -7.734 12.009 1.00 0.00 N ATOM 1647 CA LEU B 55 11.876 -9.212 11.922 1.00 0.00 C ATOM 1648 C LEU B 55 13.220 -9.545 11.269 1.00 0.00 C ATOM 1649 O LEU B 55 13.815 -10.570 11.536 1.00 0.00 O ATOM 1650 CB LEU B 55 10.718 -9.699 11.049 1.00 0.00 C ATOM 1651 CG LEU B 55 9.565 -10.161 11.941 1.00 0.00 C ATOM 1652 CD1 LEU B 55 8.250 -9.578 11.420 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.488 -11.690 11.920 1.00 0.00 C ATOM 0 H LEU B 55 10.849 -7.372 11.583 1.00 0.00 H new ATOM 0 HA LEU B 55 11.872 -9.688 12.903 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.383 -8.898 10.390 1.00 0.00 H new ATOM 0 HB3 LEU B 55 11.049 -10.519 10.411 1.00 0.00 H new ATOM 0 HG LEU B 55 9.735 -9.818 12.962 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.429 -9.908 12.056 1.00 0.00 H new ATOM 0 HD12 LEU B 55 8.304 -8.489 11.432 1.00 0.00 H new ATOM 0 HD13 LEU B 55 8.079 -9.921 10.400 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.667 -12.022 12.555 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.318 -12.032 10.899 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.425 -12.107 12.291 1.00 0.00 H new ATOM 1665 N ARG B 56 13.703 -8.684 10.415 1.00 0.00 N ATOM 1666 CA ARG B 56 15.009 -8.950 9.747 1.00 0.00 C ATOM 1667 C ARG B 56 16.110 -9.118 10.796 1.00 0.00 C ATOM 1668 O ARG B 56 16.707 -10.168 10.921 1.00 0.00 O ATOM 1669 CB ARG B 56 15.272 -7.715 8.885 1.00 0.00 C ATOM 1670 CG ARG B 56 16.491 -7.964 7.995 1.00 0.00 C ATOM 1671 CD ARG B 56 17.095 -6.624 7.569 1.00 0.00 C ATOM 1672 NE ARG B 56 18.091 -6.967 6.518 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.555 -6.038 5.729 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.896 -4.876 6.218 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.679 -6.268 4.450 1.00 0.00 N ATOM 0 H ARG B 56 13.250 -7.809 10.151 1.00 0.00 H new ATOM 0 HA ARG B 56 14.993 -9.864 9.153 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.399 -7.495 8.271 1.00 0.00 H new ATOM 0 HB3 ARG B 56 15.443 -6.845 9.519 1.00 0.00 H new ATOM 0 HG2 ARG B 56 17.233 -8.555 8.533 1.00 0.00 H new ATOM 0 HG3 ARG B 56 16.201 -8.540 7.116 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.329 -5.951 7.183 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.568 -6.119 8.411 1.00 0.00 H new ATOM 0 HE ARG B 56 18.411 -7.930 6.415 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.799 -4.695 7.217 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.259 -4.150 5.601 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.413 -7.175 4.067 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.042 -5.541 3.834 1.00 0.00 H new ATOM 1689 N GLU B 57 16.381 -8.091 11.555 1.00 0.00 N ATOM 1690 CA GLU B 57 17.441 -8.195 12.598 1.00 0.00 C ATOM 1691 C GLU B 57 17.116 -9.341 13.561 1.00 0.00 C ATOM 1692 O GLU B 57 17.987 -9.889 14.206 1.00 0.00 O ATOM 1693 CB GLU B 57 17.411 -6.853 13.330 1.00 0.00 C ATOM 1694 CG GLU B 57 16.001 -6.590 13.861 1.00 0.00 C ATOM 1695 CD GLU B 57 16.062 -5.554 14.985 1.00 0.00 C ATOM 1696 OE1 GLU B 57 16.450 -4.431 14.707 1.00 0.00 O ATOM 1697 OE2 GLU B 57 15.719 -5.900 16.103 1.00 0.00 O ATOM 0 H GLU B 57 15.915 -7.186 11.498 1.00 0.00 H new ATOM 0 HA GLU B 57 18.423 -8.403 12.173 1.00 0.00 H new ATOM 0 HB2 GLU B 57 18.125 -6.860 14.153 1.00 0.00 H new ATOM 0 HB3 GLU B 57 17.711 -6.052 12.655 1.00 0.00 H new ATOM 0 HG2 GLU B 57 15.359 -6.231 13.056 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.562 -7.517 14.230 1.00 0.00 H new ATOM 1704 N LEU B 58 15.867 -9.705 13.660 1.00 0.00 N ATOM 1705 CA LEU B 58 15.482 -10.815 14.576 1.00 0.00 C ATOM 1706 C LEU B 58 16.130 -12.127 14.123 1.00 0.00 C ATOM 1707 O LEU B 58 16.253 -13.065 14.885 1.00 0.00 O ATOM 1708 CB LEU B 58 13.959 -10.905 14.472 1.00 0.00 C ATOM 1709 CG LEU B 58 13.374 -11.277 15.835 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.073 -10.506 16.060 1.00 0.00 C ATOM 1711 CD2 LEU B 58 13.087 -12.781 15.872 1.00 0.00 C ATOM 0 H LEU B 58 15.095 -9.281 13.145 1.00 0.00 H new ATOM 0 HA LEU B 58 15.811 -10.637 15.600 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.550 -9.952 14.137 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.678 -11.651 13.728 1.00 0.00 H new ATOM 0 HG LEU B 58 14.088 -11.022 16.618 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.656 -10.771 17.032 1.00 0.00 H new ATOM 0 HD12 LEU B 58 12.275 -9.435 16.032 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.359 -10.761 15.277 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.670 -13.048 16.843 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.373 -13.035 15.088 1.00 0.00 H new ATOM 0 HD23 LEU B 58 14.013 -13.332 15.711 1.00 0.00 H new ATOM 1723 N PHE B 59 16.545 -12.201 12.885 1.00 0.00 N ATOM 1724 CA PHE B 59 17.185 -13.453 12.380 1.00 0.00 C ATOM 1725 C PHE B 59 18.267 -13.935 13.353 1.00 0.00 C ATOM 1726 O PHE B 59 18.450 -15.119 13.554 1.00 0.00 O ATOM 1727 CB PHE B 59 17.805 -13.063 11.038 1.00 0.00 C ATOM 1728 CG PHE B 59 18.512 -14.257 10.442 1.00 0.00 C ATOM 1729 CD1 PHE B 59 19.767 -14.662 10.951 1.00 0.00 C ATOM 1730 CD2 PHE B 59 17.918 -14.969 9.376 1.00 0.00 C ATOM 1731 CE1 PHE B 59 20.428 -15.779 10.393 1.00 0.00 C ATOM 1732 CE2 PHE B 59 18.580 -16.087 8.818 1.00 0.00 C ATOM 1733 CZ PHE B 59 19.834 -16.492 9.326 1.00 0.00 C ATOM 0 H PHE B 59 16.468 -11.448 12.201 1.00 0.00 H new ATOM 0 HA PHE B 59 16.469 -14.269 12.280 1.00 0.00 H new ATOM 0 HB2 PHE B 59 17.031 -12.709 10.357 1.00 0.00 H new ATOM 0 HB3 PHE B 59 18.509 -12.242 11.176 1.00 0.00 H new ATOM 0 HD1 PHE B 59 20.220 -14.118 11.766 1.00 0.00 H new ATOM 0 HD2 PHE B 59 16.959 -14.660 8.988 1.00 0.00 H new ATOM 0 HE1 PHE B 59 21.387 -16.088 10.781 1.00 0.00 H new ATOM 0 HE2 PHE B 59 18.126 -16.631 8.003 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.339 -17.346 8.900 1.00 0.00 H new ATOM 1743 N ILE B 60 18.982 -13.026 13.958 1.00 0.00 N ATOM 1744 CA ILE B 60 20.048 -13.436 14.916 1.00 0.00 C ATOM 1745 C ILE B 60 19.418 -13.952 16.212 1.00 0.00 C ATOM 1746 O ILE B 60 19.905 -14.883 16.822 1.00 0.00 O ATOM 1747 CB ILE B 60 20.854 -12.165 15.179 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.527 -11.711 13.881 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.925 -12.448 16.234 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.882 -10.227 13.982 1.00 0.00 C ATOM 0 H ILE B 60 18.875 -12.020 13.831 1.00 0.00 H new ATOM 0 HA ILE B 60 20.673 -14.239 14.524 1.00 0.00 H new ATOM 0 HB ILE B 60 20.188 -11.381 15.539 1.00 0.00 H new ATOM 0 HG12 ILE B 60 22.427 -12.299 13.700 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.861 -11.880 13.035 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.500 -11.541 16.421 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.448 -12.773 17.159 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.591 -13.232 15.875 1.00 0.00 H new ATOM 0 HD11 ILE B 60 22.361 -9.904 13.058 1.00 0.00 H new ATOM 0 HD12 ILE B 60 20.974 -9.646 14.142 1.00 0.00 H new ATOM 0 HD13 ILE B 60 22.564 -10.072 14.818 1.00 0.00 H new ATOM 1762 N ALA B 61 18.338 -13.356 16.636 1.00 0.00 N ATOM 1763 CA ALA B 61 17.676 -13.814 17.891 1.00 0.00 C ATOM 1764 C ALA B 61 16.970 -15.152 17.658 1.00 0.00 C ATOM 1765 O ALA B 61 16.685 -15.884 18.585 1.00 0.00 O ATOM 1766 CB ALA B 61 16.660 -12.720 18.224 1.00 0.00 C ATOM 0 H ALA B 61 17.885 -12.571 16.168 1.00 0.00 H new ATOM 0 HA ALA B 61 18.388 -13.969 18.702 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.129 -12.983 19.139 1.00 0.00 H new ATOM 0 HB2 ALA B 61 17.179 -11.772 18.366 1.00 0.00 H new ATOM 0 HB3 ALA B 61 15.947 -12.624 17.405 1.00 0.00 H new ATOM 1772 N ALA B 62 16.684 -15.478 16.427 1.00 0.00 N ATOM 1773 CA ALA B 62 15.996 -16.769 16.137 1.00 0.00 C ATOM 1774 C ALA B 62 17.024 -17.850 15.791 1.00 0.00 C ATOM 1775 O ALA B 62 17.135 -18.854 16.467 1.00 0.00 O ATOM 1776 CB ALA B 62 15.099 -16.479 14.934 1.00 0.00 C ATOM 0 H ALA B 62 16.897 -14.907 15.609 1.00 0.00 H new ATOM 0 HA ALA B 62 15.426 -17.134 16.992 1.00 0.00 H new ATOM 0 HB1 ALA B 62 14.557 -17.383 14.658 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.388 -15.694 15.191 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.712 -16.153 14.094 1.00 0.00 H new ATOM 1782 N SER B 63 17.777 -17.652 14.744 1.00 0.00 N ATOM 1783 CA SER B 63 18.798 -18.670 14.357 1.00 0.00 C ATOM 1784 C SER B 63 20.204 -18.159 14.684 1.00 0.00 C ATOM 1785 O SER B 63 20.863 -17.678 13.778 1.00 0.00 O ATOM 1786 CB SER B 63 18.629 -18.845 12.849 1.00 0.00 C ATOM 1787 OG SER B 63 19.475 -19.895 12.401 1.00 0.00 O ATOM 1788 OXT SER B 63 20.596 -18.259 15.835 1.00 0.00 O ATOM 0 H SER B 63 17.731 -16.831 14.140 1.00 0.00 H new ATOM 0 HA SER B 63 18.669 -19.610 14.894 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.590 -19.073 12.612 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.877 -17.917 12.333 1.00 0.00 H new ATOM 0 HG SER B 63 19.368 -20.011 11.434 1.00 0.00 H new