USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 767 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 29 SER OG : rot -180:sc= 1.94 USER MOD Set 1.2: B 44 THR OG1 : rot 71:sc= 1.29 USER MOD Set 2.1: B 8 GLN : amide:sc= 0.361 K(o=0.86,f=0.11) USER MOD Set 2.2: B 30 SER OG : rot 180:sc= 0.496 USER MOD Set 3.1: A 44 THR OG1 : rot 68:sc= 1.22 USER MOD Set 3.2: B 29 SER OG : rot 180:sc= 1.83 USER MOD Set 4.1: B 17 CYS SG : rot -131:sc= -0.032 USER MOD Set 4.2: B 46 SER OG : rot 180:sc= 0 USER MOD Set 5.1: B 16 CYS SG : rot 8:sc= 2.04 USER MOD Set 5.2: B 19 CYS SG : rot 79:sc= -1.85! USER MOD Set 5.3: B 49 CYS SG : rot -55:sc= 0.665 USER MOD Set 5.4: B 52 CYS SG : rot -157:sc= -5.04! USER MOD Set 6.1: A 16 CYS SG : rot 138:sc= 0.131! USER MOD Set 6.2: A 19 CYS SG : rot -49:sc= 1.04 USER MOD Set 6.3: A 49 CYS SG : rot 16:sc= 2.29 USER MOD Set 6.4: A 52 CYS SG : rot -173:sc= 1.53 USER MOD Set 7.1: A 8 GLN : amide:sc= 0.85 X(o=1.6,f=1.6) USER MOD Set 7.2: A 30 SER OG : rot 180:sc= 0.763 USER MOD Single : A 10 HIS : no HE2:sc= -0.274 K(o=-0.27,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 1.27 (180deg=0.801) USER MOD Single : A 14 CYS SG : rot 166:sc= 1.77 USER MOD Single : A 17 CYS SG : rot -141:sc= -0.0445 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 USER MOD Single : A 36 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.18 K(o=1.2,f=-0.076) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 8:sc= 0.773 USER MOD Single : A 54 THR OG1 : rot 90:sc= 1.16 USER MOD Single : A 55 ASN : amide:sc= -0.671 K(o=-0.67,f=-2.4!) USER MOD Single : B 10 HIS : no HE2:sc= -0.422 K(o=-0.42,f=-2) USER MOD Single : B 11 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.18) USER MOD Single : B 14 CYS SG : rot 148:sc= 1.22 USER MOD Single : B 18 LYS NZ :NH3+ -173:sc= 0.923 (180deg=0.673) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 36 THR OG1 : rot 93:sc= 1.33 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.2 K(o=1.2,f=-0.072) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 54 THR OG1 : rot 66:sc= 1.21 USER MOD Single : B 55 ASN : amide:sc= -0.642 K(o=-0.64,f=-2.5!) USER MOD Single : B 56 GLN : amide:sc= 2.2 K(o=2.2,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 -14.625 -3.541 1.015 1.00 0.00 N ATOM 93 CA GLN A 8 -13.380 -3.441 0.279 1.00 0.00 C ATOM 94 C GLN A 8 -12.620 -2.185 0.705 1.00 0.00 C ATOM 95 O GLN A 8 -11.454 -2.314 1.048 1.00 0.00 O ATOM 96 CB GLN A 8 -13.619 -3.486 -1.243 1.00 0.00 C ATOM 97 CG GLN A 8 -13.693 -4.907 -1.839 1.00 0.00 C ATOM 98 CD GLN A 8 -14.894 -5.739 -1.382 1.00 0.00 C ATOM 99 OE1 GLN A 8 -16.006 -5.240 -1.268 1.00 0.00 O ATOM 100 NE2 GLN A 8 -14.716 -7.029 -1.123 1.00 0.00 N ATOM 0 HA GLN A 8 -12.762 -4.306 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.549 -2.963 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.818 -2.939 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.717 -4.828 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.780 -5.442 -1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.790 -7.445 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.506 -7.604 -0.829 1.00 0.00 H new ATOM 109 N ARG A 9 -13.218 -0.982 0.674 1.00 0.00 N ATOM 110 CA ARG A 9 -12.524 0.280 0.982 1.00 0.00 C ATOM 111 C ARG A 9 -11.984 0.259 2.414 1.00 0.00 C ATOM 112 O ARG A 9 -12.714 0.616 3.338 1.00 0.00 O ATOM 113 CB ARG A 9 -13.462 1.478 0.730 1.00 0.00 C ATOM 114 CG ARG A 9 -12.810 2.854 0.817 1.00 0.00 C ATOM 115 CD ARG A 9 -12.715 3.486 2.218 1.00 0.00 C ATOM 116 NE ARG A 9 -12.374 4.923 2.156 1.00 0.00 N ATOM 117 CZ ARG A 9 -13.231 5.921 1.885 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.505 5.663 1.601 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.830 7.193 1.886 1.00 0.00 N ATOM 0 H ARG A 9 -14.201 -0.857 0.433 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.667 0.391 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.905 1.368 -0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.278 1.436 1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.802 2.780 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.366 3.535 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.665 3.361 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.961 2.959 2.803 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.403 5.179 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.840 4.700 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.147 6.429 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.858 7.421 2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.495 7.938 1.678 1.00 0.00 H new ATOM 133 N HIS A 10 -10.725 -0.144 2.616 1.00 0.00 N ATOM 134 CA HIS A 10 -10.183 -0.411 3.938 1.00 0.00 C ATOM 135 C HIS A 10 -8.891 0.372 4.149 1.00 0.00 C ATOM 136 O HIS A 10 -8.344 0.961 3.219 1.00 0.00 O ATOM 137 CB HIS A 10 -9.972 -1.919 4.107 1.00 0.00 C ATOM 138 CG HIS A 10 -11.210 -2.784 4.061 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.270 -4.101 3.671 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.481 -2.410 4.391 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.538 -4.512 3.817 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.321 -3.516 4.255 1.00 0.00 N ATOM 0 H HIS A 10 -10.057 -0.293 1.860 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.888 -0.080 4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.291 -2.257 3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.473 -2.089 5.061 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.490 -4.664 3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.786 -1.423 4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.883 -5.514 3.609 1.00 0.00 H new ATOM 150 N LYS A 11 -8.440 0.443 5.405 1.00 0.00 N ATOM 151 CA LYS A 11 -7.479 1.424 5.871 1.00 0.00 C ATOM 152 C LYS A 11 -6.532 0.768 6.863 1.00 0.00 C ATOM 153 O LYS A 11 -6.840 0.671 8.050 1.00 0.00 O ATOM 154 CB LYS A 11 -8.231 2.594 6.506 1.00 0.00 C ATOM 155 CG LYS A 11 -8.947 3.465 5.458 1.00 0.00 C ATOM 156 CD LYS A 11 -9.891 4.491 6.085 1.00 0.00 C ATOM 157 CE LYS A 11 -9.164 5.221 7.215 1.00 0.00 C ATOM 158 NZ LYS A 11 -9.672 6.575 7.506 1.00 0.00 N ATOM 0 H LYS A 11 -8.746 -0.199 6.136 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.887 1.806 5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.962 2.210 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.531 3.210 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.203 3.984 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.513 2.822 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.224 5.204 5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.782 3.995 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.234 4.620 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.106 5.292 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.974 7.093 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.835 7.084 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.566 6.505 8.033 1.00 0.00 H new ATOM 172 N ILE A 12 -5.386 0.304 6.372 1.00 0.00 N ATOM 173 CA ILE A 12 -4.325 -0.210 7.219 1.00 0.00 C ATOM 174 C ILE A 12 -3.522 1.003 7.686 1.00 0.00 C ATOM 175 O ILE A 12 -2.626 1.472 6.997 1.00 0.00 O ATOM 176 CB ILE A 12 -3.445 -1.240 6.478 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.268 -2.372 5.835 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.397 -1.775 7.479 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.410 -3.261 4.929 1.00 0.00 C ATOM 0 H ILE A 12 -5.171 0.276 5.375 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.735 -0.751 8.072 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.944 -0.752 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.720 -2.981 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.084 -1.942 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.760 -2.506 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.786 -0.949 7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.905 -2.248 8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.030 -4.046 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.979 -2.658 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.610 -3.713 5.515 1.00 0.00 H new ATOM 191 N LEU A 13 -3.832 1.548 8.855 1.00 0.00 N ATOM 192 CA LEU A 13 -2.953 2.505 9.490 1.00 0.00 C ATOM 193 C LEU A 13 -1.653 1.799 9.859 1.00 0.00 C ATOM 194 O LEU A 13 -1.635 0.961 10.759 1.00 0.00 O ATOM 195 CB LEU A 13 -3.633 3.182 10.680 1.00 0.00 C ATOM 196 CG LEU A 13 -2.808 4.395 11.160 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.776 5.472 11.643 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.821 4.053 12.285 1.00 0.00 C ATOM 0 H LEU A 13 -4.684 1.341 9.377 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.716 3.315 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.635 3.506 10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.747 2.468 11.495 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.208 4.741 10.318 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.213 6.339 11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.431 5.767 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.376 5.080 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.274 4.950 12.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.369 3.669 13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.118 3.297 11.935 1.00 0.00 H new ATOM 210 N CYS A 14 -0.580 2.134 9.145 1.00 0.00 N ATOM 211 CA CYS A 14 0.774 1.715 9.462 1.00 0.00 C ATOM 212 C CYS A 14 1.628 2.953 9.767 1.00 0.00 C ATOM 213 O CYS A 14 1.121 4.076 9.864 1.00 0.00 O ATOM 214 CB CYS A 14 1.321 0.869 8.302 1.00 0.00 C ATOM 215 SG CYS A 14 2.611 -0.258 8.903 1.00 0.00 S ATOM 0 H CYS A 14 -0.635 2.719 8.311 1.00 0.00 H new ATOM 0 HA CYS A 14 0.797 1.088 10.353 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.512 0.298 7.846 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.728 1.520 7.528 1.00 0.00 H new ATOM 0 HG CYS A 14 2.858 -1.158 7.998 1.00 0.00 H new ATOM 221 N VAL A 15 2.936 2.745 9.911 1.00 0.00 N ATOM 222 CA VAL A 15 3.920 3.804 10.043 1.00 0.00 C ATOM 223 C VAL A 15 4.932 3.685 8.909 1.00 0.00 C ATOM 224 O VAL A 15 5.121 2.614 8.327 1.00 0.00 O ATOM 225 CB VAL A 15 4.584 3.801 11.434 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.575 4.223 12.510 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.203 2.441 11.795 1.00 0.00 C ATOM 0 H VAL A 15 3.345 1.811 9.939 1.00 0.00 H new ATOM 0 HA VAL A 15 3.422 4.770 9.962 1.00 0.00 H new ATOM 0 HB VAL A 15 5.399 4.523 11.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.060 4.216 13.486 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.211 5.227 12.293 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.737 3.526 12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.656 2.499 12.785 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.426 1.676 11.795 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.966 2.182 11.061 1.00 0.00 H new ATOM 237 N CYS A 16 5.557 4.811 8.577 1.00 0.00 N ATOM 238 CA CYS A 16 6.510 4.904 7.496 1.00 0.00 C ATOM 239 C CYS A 16 7.815 4.226 7.888 1.00 0.00 C ATOM 240 O CYS A 16 8.386 4.520 8.936 1.00 0.00 O ATOM 241 CB CYS A 16 6.762 6.373 7.168 1.00 0.00 C ATOM 242 SG CYS A 16 7.702 6.399 5.633 1.00 0.00 S ATOM 0 H CYS A 16 5.407 5.694 9.065 1.00 0.00 H new ATOM 0 HA CYS A 16 6.107 4.401 6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.822 6.913 7.056 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.316 6.860 7.970 1.00 0.00 H new ATOM 0 HG CYS A 16 7.251 7.345 4.864 1.00 0.00 H new ATOM 247 N CYS A 17 8.325 3.381 7.000 1.00 0.00 N ATOM 248 CA CYS A 17 9.491 2.550 7.262 1.00 0.00 C ATOM 249 C CYS A 17 10.744 3.389 7.557 1.00 0.00 C ATOM 250 O CYS A 17 11.564 2.983 8.377 1.00 0.00 O ATOM 251 CB CYS A 17 9.704 1.648 6.047 1.00 0.00 C ATOM 252 SG CYS A 17 10.862 0.307 6.418 1.00 0.00 S ATOM 0 H CYS A 17 7.935 3.253 6.066 1.00 0.00 H new ATOM 0 HA CYS A 17 9.316 1.950 8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.749 1.229 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.084 2.240 5.214 1.00 0.00 H new ATOM 0 HG CYS A 17 11.635 0.105 5.392 1.00 0.00 H new ATOM 258 N LYS A 18 10.899 4.561 6.914 1.00 0.00 N ATOM 259 CA LYS A 18 12.118 5.356 7.013 1.00 0.00 C ATOM 260 C LYS A 18 11.984 6.583 7.917 1.00 0.00 C ATOM 261 O LYS A 18 13.010 7.147 8.290 1.00 0.00 O ATOM 262 CB LYS A 18 12.597 5.714 5.598 1.00 0.00 C ATOM 263 CG LYS A 18 11.782 6.831 4.914 1.00 0.00 C ATOM 264 CD LYS A 18 12.477 8.203 4.935 1.00 0.00 C ATOM 265 CE LYS A 18 13.732 8.217 4.062 1.00 0.00 C ATOM 266 NZ LYS A 18 14.498 9.472 4.231 1.00 0.00 N ATOM 0 H LYS A 18 10.182 4.974 6.317 1.00 0.00 H new ATOM 0 HA LYS A 18 12.876 4.748 7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.642 6.021 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.557 4.819 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.589 6.547 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.814 6.916 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.783 8.967 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.744 8.459 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.364 7.367 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.450 8.100 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.342 9.448 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.902 10.281 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.788 9.570 5.225 1.00 0.00 H new ATOM 280 N CYS A 19 10.761 7.027 8.246 1.00 0.00 N ATOM 281 CA CYS A 19 10.521 8.235 9.011 1.00 0.00 C ATOM 282 C CYS A 19 9.479 8.069 10.128 1.00 0.00 C ATOM 283 O CYS A 19 9.158 9.060 10.779 1.00 0.00 O ATOM 284 CB CYS A 19 10.155 9.356 8.034 1.00 0.00 C ATOM 285 SG CYS A 19 8.632 9.216 7.051 1.00 0.00 S ATOM 0 H CYS A 19 9.905 6.541 7.978 1.00 0.00 H new ATOM 0 HA CYS A 19 11.436 8.490 9.545 1.00 0.00 H new ATOM 0 HB2 CYS A 19 10.092 10.282 8.606 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.986 9.468 7.337 1.00 0.00 H new ATOM 0 HG CYS A 19 8.585 8.045 6.489 1.00 0.00 H new ATOM 290 N ASP A 20 8.949 6.856 10.352 1.00 0.00 N ATOM 291 CA ASP A 20 7.974 6.496 11.396 1.00 0.00 C ATOM 292 C ASP A 20 6.672 7.315 11.349 1.00 0.00 C ATOM 293 O ASP A 20 5.879 7.313 12.289 1.00 0.00 O ATOM 294 CB ASP A 20 8.655 6.489 12.776 1.00 0.00 C ATOM 295 CG ASP A 20 7.841 5.742 13.840 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.351 4.635 13.518 1.00 0.00 O ATOM 297 OD2 ASP A 20 7.775 6.255 14.980 1.00 0.00 O ATOM 0 H ASP A 20 9.204 6.053 9.776 1.00 0.00 H new ATOM 0 HA ASP A 20 7.634 5.481 11.189 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.638 6.027 12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.814 7.517 13.102 1.00 0.00 H new ATOM 302 N GLY A 21 6.417 8.016 10.237 1.00 0.00 N ATOM 303 CA GLY A 21 5.242 8.868 10.121 1.00 0.00 C ATOM 304 C GLY A 21 3.992 8.015 9.965 1.00 0.00 C ATOM 305 O GLY A 21 4.033 6.958 9.346 1.00 0.00 O ATOM 0 H GLY A 21 7.012 8.005 9.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.153 9.500 11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.348 9.532 9.263 1.00 0.00 H new ATOM 309 N ARG A 22 2.872 8.503 10.489 1.00 0.00 N ATOM 310 CA ARG A 22 1.559 7.860 10.430 1.00 0.00 C ATOM 311 C ARG A 22 1.115 7.756 8.974 1.00 0.00 C ATOM 312 O ARG A 22 0.889 8.795 8.352 1.00 0.00 O ATOM 313 CB ARG A 22 0.588 8.699 11.284 1.00 0.00 C ATOM 314 CG ARG A 22 -0.880 8.232 11.321 1.00 0.00 C ATOM 315 CD ARG A 22 -1.805 9.023 10.376 1.00 0.00 C ATOM 316 NE ARG A 22 -3.226 8.803 10.713 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.290 8.944 9.904 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.176 9.511 8.705 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.479 8.476 10.290 1.00 0.00 N ATOM 0 H ARG A 22 2.851 9.393 10.987 1.00 0.00 H new ATOM 0 HA ARG A 22 1.585 6.846 10.829 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.965 8.719 12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.610 9.725 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.923 7.175 11.057 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.255 8.321 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.573 10.086 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.622 8.720 9.345 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.423 8.510 11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.268 9.848 8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.996 9.608 8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.576 8.014 11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.290 8.580 9.681 1.00 0.00 H new ATOM 333 N ILE A 23 0.952 6.537 8.440 1.00 0.00 N ATOM 334 CA ILE A 23 0.436 6.336 7.091 1.00 0.00 C ATOM 335 C ILE A 23 -0.860 5.537 7.174 1.00 0.00 C ATOM 336 O ILE A 23 -0.869 4.358 7.514 1.00 0.00 O ATOM 337 CB ILE A 23 1.429 5.662 6.116 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.889 6.137 6.236 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.888 5.971 4.701 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.833 5.405 5.272 1.00 0.00 C ATOM 0 H ILE A 23 1.174 5.672 8.933 1.00 0.00 H new ATOM 0 HA ILE A 23 0.260 7.326 6.671 1.00 0.00 H new ATOM 0 HB ILE A 23 1.479 4.598 6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.935 7.208 6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.233 5.986 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.544 5.523 3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.115 5.558 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.854 7.050 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.848 5.781 5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.812 4.336 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.510 5.578 4.245 1.00 0.00 H new ATOM 352 N GLU A 24 -1.967 6.186 6.834 1.00 0.00 N ATOM 353 CA GLU A 24 -3.284 5.585 6.737 1.00 0.00 C ATOM 354 C GLU A 24 -3.443 4.945 5.361 1.00 0.00 C ATOM 355 O GLU A 24 -3.927 5.568 4.410 1.00 0.00 O ATOM 356 CB GLU A 24 -4.267 6.701 7.032 1.00 0.00 C ATOM 357 CG GLU A 24 -5.745 6.331 6.969 1.00 0.00 C ATOM 358 CD GLU A 24 -6.533 7.489 7.603 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.257 8.664 7.277 1.00 0.00 O ATOM 360 OE2 GLU A 24 -7.321 7.252 8.548 1.00 0.00 O ATOM 0 H GLU A 24 -1.968 7.181 6.611 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.456 4.775 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.054 7.091 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.087 7.512 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.058 6.173 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.931 5.400 7.505 1.00 0.00 H new ATOM 367 N LEU A 25 -2.968 3.702 5.248 1.00 0.00 N ATOM 368 CA LEU A 25 -2.875 3.006 3.981 1.00 0.00 C ATOM 369 C LEU A 25 -4.270 2.603 3.538 1.00 0.00 C ATOM 370 O LEU A 25 -4.799 1.571 3.956 1.00 0.00 O ATOM 371 CB LEU A 25 -2.003 1.760 4.063 1.00 0.00 C ATOM 372 CG LEU A 25 -0.628 1.955 4.706 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.017 0.592 4.927 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.266 2.783 3.782 1.00 0.00 C ATOM 0 H LEU A 25 -2.638 3.155 6.043 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.413 3.685 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.542 0.998 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.861 1.371 3.055 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.746 2.474 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.997 0.723 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.613 -0.007 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.129 0.083 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.243 2.918 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.385 2.265 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.192 3.757 3.610 1.00 0.00 H new ATOM 386 N THR A 26 -4.885 3.436 2.715 1.00 0.00 N ATOM 387 CA THR A 26 -6.193 3.139 2.187 1.00 0.00 C ATOM 388 C THR A 26 -5.968 2.172 1.006 1.00 0.00 C ATOM 389 O THR A 26 -5.376 2.540 -0.011 1.00 0.00 O ATOM 390 CB THR A 26 -6.917 4.456 1.895 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.852 5.292 3.041 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.401 4.210 1.605 1.00 0.00 C ATOM 0 H THR A 26 -4.493 4.324 2.401 1.00 0.00 H new ATOM 0 HA THR A 26 -6.868 2.628 2.873 1.00 0.00 H new ATOM 0 HB THR A 26 -6.437 4.917 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.710 5.750 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.894 5.160 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.499 3.556 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.867 3.738 2.470 1.00 0.00 H new ATOM 400 N VAL A 27 -6.354 0.905 1.186 1.00 0.00 N ATOM 401 CA VAL A 27 -6.252 -0.172 0.198 1.00 0.00 C ATOM 402 C VAL A 27 -7.696 -0.703 0.076 1.00 0.00 C ATOM 403 O VAL A 27 -8.311 -1.084 1.077 1.00 0.00 O ATOM 404 CB VAL A 27 -5.120 -1.197 0.573 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.860 -0.467 1.067 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.545 -2.179 1.678 1.00 0.00 C ATOM 0 H VAL A 27 -6.765 0.589 2.064 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.914 0.137 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.918 -1.754 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.092 -1.198 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.490 0.192 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.104 0.123 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.723 -2.862 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.802 -1.623 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.412 -2.749 1.344 1.00 0.00 H new ATOM 416 N GLU A 28 -8.309 -0.608 -1.111 1.00 0.00 N ATOM 417 CA GLU A 28 -9.668 -1.118 -1.328 1.00 0.00 C ATOM 418 C GLU A 28 -9.497 -2.599 -1.686 1.00 0.00 C ATOM 419 O GLU A 28 -9.024 -2.908 -2.782 1.00 0.00 O ATOM 420 CB GLU A 28 -10.526 -0.287 -2.329 1.00 0.00 C ATOM 421 CG GLU A 28 -10.324 1.203 -2.259 1.00 0.00 C ATOM 422 CD GLU A 28 -11.438 2.070 -2.857 1.00 0.00 C ATOM 423 OE1 GLU A 28 -12.375 2.456 -2.124 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.317 2.516 -4.020 1.00 0.00 O ATOM 0 H GLU A 28 -7.885 -0.183 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.271 -1.012 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.300 -0.621 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.579 -0.504 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.198 1.482 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.391 1.446 -2.768 1.00 0.00 H new ATOM 431 N SER A 29 -9.766 -3.506 -0.734 1.00 0.00 N ATOM 432 CA SER A 29 -9.767 -4.950 -0.962 1.00 0.00 C ATOM 433 C SER A 29 -10.484 -5.658 0.177 1.00 0.00 C ATOM 434 O SER A 29 -10.534 -5.144 1.294 1.00 0.00 O ATOM 435 CB SER A 29 -8.346 -5.504 -0.993 1.00 0.00 C ATOM 436 OG SER A 29 -8.291 -6.672 -1.790 1.00 0.00 O ATOM 0 H SER A 29 -9.991 -3.248 0.227 1.00 0.00 H new ATOM 0 HA SER A 29 -10.264 -5.122 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.664 -4.752 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.015 -5.731 0.020 1.00 0.00 H new ATOM 0 HG SER A 29 -7.374 -7.018 -1.801 1.00 0.00 H new ATOM 442 N SER A 30 -10.969 -6.869 -0.090 1.00 0.00 N ATOM 443 CA SER A 30 -11.653 -7.720 0.871 1.00 0.00 C ATOM 444 C SER A 30 -10.809 -7.884 2.141 1.00 0.00 C ATOM 445 O SER A 30 -9.581 -7.962 2.072 1.00 0.00 O ATOM 446 CB SER A 30 -11.911 -9.070 0.195 1.00 0.00 C ATOM 447 OG SER A 30 -12.544 -8.865 -1.060 1.00 0.00 O ATOM 0 H SER A 30 -10.892 -7.296 -1.013 1.00 0.00 H new ATOM 0 HA SER A 30 -12.599 -7.272 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.971 -9.603 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.539 -9.692 0.832 1.00 0.00 H new ATOM 0 HG SER A 30 -12.706 -9.731 -1.490 1.00 0.00 H new ATOM 453 N ALA A 31 -11.464 -7.945 3.307 1.00 0.00 N ATOM 454 CA ALA A 31 -10.783 -7.890 4.598 1.00 0.00 C ATOM 455 C ALA A 31 -9.685 -8.953 4.723 1.00 0.00 C ATOM 456 O ALA A 31 -8.602 -8.660 5.219 1.00 0.00 O ATOM 457 CB ALA A 31 -11.808 -8.023 5.729 1.00 0.00 C ATOM 0 H ALA A 31 -12.478 -8.034 3.378 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.287 -6.922 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.296 -7.982 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.528 -7.207 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.330 -8.975 5.637 1.00 0.00 H new ATOM 463 N GLU A 32 -9.940 -10.174 4.247 1.00 0.00 N ATOM 464 CA GLU A 32 -9.004 -11.291 4.330 1.00 0.00 C ATOM 465 C GLU A 32 -7.807 -11.130 3.388 1.00 0.00 C ATOM 466 O GLU A 32 -6.699 -11.563 3.710 1.00 0.00 O ATOM 467 CB GLU A 32 -9.744 -12.578 3.977 1.00 0.00 C ATOM 468 CG GLU A 32 -10.816 -12.912 5.027 1.00 0.00 C ATOM 469 CD GLU A 32 -11.526 -14.226 4.708 1.00 0.00 C ATOM 470 OE1 GLU A 32 -12.370 -14.203 3.784 1.00 0.00 O ATOM 471 OE2 GLU A 32 -11.222 -15.223 5.398 1.00 0.00 O ATOM 0 H GLU A 32 -10.817 -10.415 3.786 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.616 -11.321 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.211 -12.474 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.033 -13.401 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.353 -12.978 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.547 -12.104 5.071 1.00 0.00 H new ATOM 478 N ASP A 33 -8.012 -10.496 2.233 1.00 0.00 N ATOM 479 CA ASP A 33 -6.966 -10.157 1.282 1.00 0.00 C ATOM 480 C ASP A 33 -6.062 -9.088 1.907 1.00 0.00 C ATOM 481 O ASP A 33 -4.846 -9.261 1.981 1.00 0.00 O ATOM 482 CB ASP A 33 -7.633 -9.718 -0.027 1.00 0.00 C ATOM 483 CG ASP A 33 -6.638 -9.224 -1.067 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.151 -10.065 -1.849 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.446 -7.984 -1.107 1.00 0.00 O ATOM 0 H ASP A 33 -8.939 -10.198 1.929 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.326 -11.007 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.196 -10.555 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.351 -8.926 0.186 1.00 0.00 H new ATOM 490 N LEU A 34 -6.680 -8.054 2.494 1.00 0.00 N ATOM 491 CA LEU A 34 -6.020 -7.008 3.279 1.00 0.00 C ATOM 492 C LEU A 34 -5.203 -7.591 4.432 1.00 0.00 C ATOM 493 O LEU A 34 -4.117 -7.127 4.753 1.00 0.00 O ATOM 494 CB LEU A 34 -7.074 -5.991 3.766 1.00 0.00 C ATOM 495 CG LEU A 34 -6.716 -5.186 5.043 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.367 -3.810 4.944 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.247 -5.812 6.345 1.00 0.00 C ATOM 0 H LEU A 34 -7.689 -7.920 2.432 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.305 -6.487 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.265 -5.284 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.006 -6.526 3.949 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.627 -5.160 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.126 -3.229 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.992 -3.293 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.448 -3.924 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.956 -5.191 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.334 -5.878 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.828 -6.811 6.466 1.00 0.00 H new ATOM 509 N ARG A 35 -5.762 -8.601 5.074 1.00 0.00 N ATOM 510 CA ARG A 35 -5.241 -9.284 6.251 1.00 0.00 C ATOM 511 C ARG A 35 -4.077 -10.152 5.850 1.00 0.00 C ATOM 512 O ARG A 35 -3.074 -10.152 6.547 1.00 0.00 O ATOM 513 CB ARG A 35 -6.313 -10.147 6.924 1.00 0.00 C ATOM 514 CG ARG A 35 -5.839 -10.673 8.285 1.00 0.00 C ATOM 515 CD ARG A 35 -6.967 -11.380 9.039 1.00 0.00 C ATOM 516 NE ARG A 35 -6.491 -11.863 10.347 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.251 -12.340 11.343 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.570 -12.464 11.191 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.683 -12.691 12.497 1.00 0.00 N ATOM 0 H ARG A 35 -6.652 -8.994 4.768 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.920 -8.527 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.223 -9.561 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.565 -10.986 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.009 -11.364 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.463 -9.844 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.803 -10.695 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.338 -12.218 8.448 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.485 -11.831 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.009 -12.195 10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.139 -12.828 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.675 -12.596 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.257 -13.054 13.258 1.00 0.00 H new ATOM 533 N THR A 36 -4.203 -10.869 4.743 1.00 0.00 N ATOM 534 CA THR A 36 -3.104 -11.603 4.129 1.00 0.00 C ATOM 535 C THR A 36 -1.941 -10.626 3.903 1.00 0.00 C ATOM 536 O THR A 36 -0.840 -10.841 4.410 1.00 0.00 O ATOM 537 CB THR A 36 -3.592 -12.295 2.842 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.715 -13.106 3.133 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.512 -13.191 2.229 1.00 0.00 C ATOM 0 H THR A 36 -5.084 -10.959 4.238 1.00 0.00 H new ATOM 0 HA THR A 36 -2.742 -12.401 4.777 1.00 0.00 H new ATOM 0 HB THR A 36 -3.846 -11.509 2.131 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.537 -12.599 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.898 -13.659 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.637 -12.589 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.230 -13.963 2.945 1.00 0.00 H new ATOM 547 N LEU A 37 -2.220 -9.491 3.255 1.00 0.00 N ATOM 548 CA LEU A 37 -1.310 -8.356 3.117 1.00 0.00 C ATOM 549 C LEU A 37 -0.778 -7.873 4.485 1.00 0.00 C ATOM 550 O LEU A 37 0.412 -7.589 4.622 1.00 0.00 O ATOM 551 CB LEU A 37 -2.033 -7.300 2.248 1.00 0.00 C ATOM 552 CG LEU A 37 -1.902 -5.823 2.625 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.484 -5.286 2.340 1.00 0.00 C ATOM 554 CD2 LEU A 37 -2.874 -5.007 1.764 1.00 0.00 C ATOM 0 H LEU A 37 -3.118 -9.334 2.797 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.389 -8.626 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.675 -7.413 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.095 -7.547 2.243 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.116 -5.732 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.430 -4.234 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.244 -5.854 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.262 -5.390 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.791 -3.951 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.629 -5.143 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.894 -5.346 1.946 1.00 0.00 H new ATOM 566 N GLN A 38 -1.599 -7.844 5.536 1.00 0.00 N ATOM 567 CA GLN A 38 -1.160 -7.484 6.874 1.00 0.00 C ATOM 568 C GLN A 38 -0.211 -8.545 7.452 1.00 0.00 C ATOM 569 O GLN A 38 0.676 -8.204 8.231 1.00 0.00 O ATOM 570 CB GLN A 38 -2.386 -7.256 7.758 1.00 0.00 C ATOM 571 CG GLN A 38 -2.058 -6.666 9.129 1.00 0.00 C ATOM 572 CD GLN A 38 -3.369 -6.334 9.829 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.830 -7.069 10.694 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.033 -5.266 9.404 1.00 0.00 N ATOM 0 H GLN A 38 -2.591 -8.072 5.477 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.588 -6.557 6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.076 -6.588 7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.904 -8.205 7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.480 -7.376 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.447 -5.770 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.629 -4.668 8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.947 -5.043 9.799 1.00 0.00 H new ATOM 583 N GLN A 39 -0.337 -9.817 7.053 1.00 0.00 N ATOM 584 CA GLN A 39 0.625 -10.835 7.430 1.00 0.00 C ATOM 585 C GLN A 39 1.942 -10.589 6.695 1.00 0.00 C ATOM 586 O GLN A 39 2.997 -10.780 7.286 1.00 0.00 O ATOM 587 CB GLN A 39 0.134 -12.267 7.192 1.00 0.00 C ATOM 588 CG GLN A 39 -1.279 -12.574 7.703 1.00 0.00 C ATOM 589 CD GLN A 39 -1.617 -11.979 9.073 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.180 -12.460 10.110 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.424 -10.926 9.092 1.00 0.00 N ATOM 0 H GLN A 39 -1.101 -10.156 6.468 1.00 0.00 H new ATOM 0 HA GLN A 39 0.771 -10.749 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.167 -12.470 6.122 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.832 -12.956 7.669 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.001 -12.203 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.404 -13.656 7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.778 -10.539 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.690 -10.503 9.981 1.00 0.00 H new ATOM 600 N LEU A 40 1.898 -10.113 5.441 1.00 0.00 N ATOM 601 CA LEU A 40 3.100 -9.673 4.727 1.00 0.00 C ATOM 602 C LEU A 40 3.780 -8.503 5.465 1.00 0.00 C ATOM 603 O LEU A 40 5.007 -8.486 5.564 1.00 0.00 O ATOM 604 CB LEU A 40 2.797 -9.318 3.257 1.00 0.00 C ATOM 605 CG LEU A 40 2.018 -10.387 2.457 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.784 -9.898 1.027 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.670 -11.774 2.419 1.00 0.00 C ATOM 0 H LEU A 40 1.037 -10.024 4.901 1.00 0.00 H new ATOM 0 HA LEU A 40 3.799 -10.510 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.228 -8.389 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.741 -9.125 2.747 1.00 0.00 H new ATOM 0 HG LEU A 40 1.078 -10.516 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.235 -10.656 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.207 -8.974 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.744 -9.715 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.048 -12.452 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.656 -11.700 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.770 -12.157 3.435 1.00 0.00 H new ATOM 619 N PHE A 41 3.006 -7.573 6.053 1.00 0.00 N ATOM 620 CA PHE A 41 3.536 -6.526 6.943 1.00 0.00 C ATOM 621 C PHE A 41 4.218 -7.158 8.153 1.00 0.00 C ATOM 622 O PHE A 41 5.370 -6.855 8.450 1.00 0.00 O ATOM 623 CB PHE A 41 2.441 -5.547 7.409 1.00 0.00 C ATOM 624 CG PHE A 41 2.265 -4.314 6.551 1.00 0.00 C ATOM 625 CD1 PHE A 41 3.060 -3.178 6.793 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.273 -4.273 5.554 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.894 -2.023 6.012 1.00 0.00 C ATOM 628 CE2 PHE A 41 1.115 -3.117 4.771 1.00 0.00 C ATOM 629 CZ PHE A 41 1.954 -2.012 4.974 1.00 0.00 C ATOM 0 H PHE A 41 1.995 -7.527 5.924 1.00 0.00 H new ATOM 0 HA PHE A 41 4.265 -5.954 6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.492 -6.081 7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.669 -5.231 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.799 -3.195 7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.634 -5.128 5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.490 -1.145 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.347 -3.080 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.875 -1.150 4.328 1.00 0.00 H new ATOM 639 N LEU A 42 3.496 -8.035 8.852 1.00 0.00 N ATOM 640 CA LEU A 42 3.985 -8.710 10.047 1.00 0.00 C ATOM 641 C LEU A 42 5.203 -9.604 9.755 1.00 0.00 C ATOM 642 O LEU A 42 6.008 -9.834 10.654 1.00 0.00 O ATOM 643 CB LEU A 42 2.819 -9.512 10.647 1.00 0.00 C ATOM 644 CG LEU A 42 1.746 -8.637 11.333 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.463 -9.449 11.558 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.231 -8.078 12.678 1.00 0.00 C ATOM 0 H LEU A 42 2.544 -8.297 8.598 1.00 0.00 H new ATOM 0 HA LEU A 42 4.336 -7.969 10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.347 -10.095 9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.215 -10.221 11.374 1.00 0.00 H new ATOM 0 HG LEU A 42 1.546 -7.797 10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.285 -8.821 12.042 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.079 -9.796 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.682 -10.307 12.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.444 -7.469 13.124 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.476 -8.902 13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.118 -7.465 12.519 1.00 0.00 H new ATOM 658 N SER A 43 5.344 -10.088 8.516 1.00 0.00 N ATOM 659 CA SER A 43 6.483 -10.827 7.998 1.00 0.00 C ATOM 660 C SER A 43 7.676 -9.887 7.793 1.00 0.00 C ATOM 661 O SER A 43 8.672 -10.000 8.509 1.00 0.00 O ATOM 662 CB SER A 43 6.064 -11.527 6.693 1.00 0.00 C ATOM 663 OG SER A 43 7.092 -12.335 6.161 1.00 0.00 O ATOM 0 H SER A 43 4.617 -9.962 7.811 1.00 0.00 H new ATOM 0 HA SER A 43 6.800 -11.588 8.711 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.183 -12.141 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.778 -10.776 5.957 1.00 0.00 H new ATOM 0 HG SER A 43 6.780 -12.760 5.335 1.00 0.00 H new ATOM 669 N THR A 44 7.597 -8.983 6.806 1.00 0.00 N ATOM 670 CA THR A 44 8.694 -8.123 6.391 1.00 0.00 C ATOM 671 C THR A 44 8.269 -6.729 5.937 1.00 0.00 C ATOM 672 O THR A 44 9.075 -5.803 6.028 1.00 0.00 O ATOM 673 CB THR A 44 9.522 -8.776 5.262 1.00 0.00 C ATOM 674 OG1 THR A 44 8.729 -9.144 4.148 1.00 0.00 O ATOM 675 CG2 THR A 44 10.253 -10.039 5.716 1.00 0.00 C ATOM 0 H THR A 44 6.744 -8.833 6.267 1.00 0.00 H new ATOM 0 HA THR A 44 9.296 -8.001 7.291 1.00 0.00 H new ATOM 0 HB THR A 44 10.240 -8.005 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.399 -8.337 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.817 -10.453 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.936 -9.792 6.528 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.527 -10.774 6.063 1.00 0.00 H new ATOM 683 N LEU A 45 7.064 -6.585 5.379 1.00 0.00 N ATOM 684 CA LEU A 45 6.718 -5.406 4.602 1.00 0.00 C ATOM 685 C LEU A 45 6.575 -4.174 5.488 1.00 0.00 C ATOM 686 O LEU A 45 6.150 -4.228 6.643 1.00 0.00 O ATOM 687 CB LEU A 45 5.460 -5.686 3.753 1.00 0.00 C ATOM 688 CG LEU A 45 5.195 -4.647 2.643 1.00 0.00 C ATOM 689 CD1 LEU A 45 4.802 -5.337 1.335 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.063 -3.691 3.024 1.00 0.00 C ATOM 0 H LEU A 45 6.316 -7.274 5.455 1.00 0.00 H new ATOM 0 HA LEU A 45 7.534 -5.182 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.557 -6.671 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.593 -5.724 4.412 1.00 0.00 H new ATOM 0 HG LEU A 45 6.121 -4.087 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.620 -4.585 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.609 -5.995 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.896 -5.923 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.905 -2.974 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.147 -4.259 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.329 -3.158 3.937 1.00 0.00 H new ATOM 702 N SER A 46 6.889 -3.014 4.926 1.00 0.00 N ATOM 703 CA SER A 46 6.426 -1.736 5.426 1.00 0.00 C ATOM 704 C SER A 46 6.136 -0.837 4.226 1.00 0.00 C ATOM 705 O SER A 46 6.427 -1.200 3.084 1.00 0.00 O ATOM 706 CB SER A 46 7.446 -1.187 6.424 1.00 0.00 C ATOM 707 OG SER A 46 7.432 -2.020 7.568 1.00 0.00 O ATOM 0 H SER A 46 7.481 -2.939 4.099 1.00 0.00 H new ATOM 0 HA SER A 46 5.494 -1.812 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.441 -1.167 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.198 -0.161 6.697 1.00 0.00 H new ATOM 0 HG SER A 46 6.875 -2.807 7.393 1.00 0.00 H new ATOM 713 N PHE A 47 5.526 0.324 4.461 1.00 0.00 N ATOM 714 CA PHE A 47 5.221 1.290 3.425 1.00 0.00 C ATOM 715 C PHE A 47 6.120 2.489 3.669 1.00 0.00 C ATOM 716 O PHE A 47 6.577 2.726 4.794 1.00 0.00 O ATOM 717 CB PHE A 47 3.733 1.666 3.470 1.00 0.00 C ATOM 718 CG PHE A 47 3.183 2.197 2.155 1.00 0.00 C ATOM 719 CD1 PHE A 47 3.332 3.553 1.806 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.508 1.331 1.272 1.00 0.00 C ATOM 721 CE1 PHE A 47 2.845 4.033 0.578 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.998 1.816 0.054 1.00 0.00 C ATOM 723 CZ PHE A 47 2.175 3.164 -0.300 1.00 0.00 C ATOM 0 H PHE A 47 5.229 0.617 5.392 1.00 0.00 H new ATOM 0 HA PHE A 47 5.404 0.885 2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.157 0.788 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.583 2.419 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.825 4.230 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.382 0.290 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.986 5.070 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.469 1.150 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.798 3.531 -1.243 1.00 0.00 H new ATOM 733 N VAL A 48 6.348 3.259 2.615 1.00 0.00 N ATOM 734 CA VAL A 48 7.140 4.460 2.670 1.00 0.00 C ATOM 735 C VAL A 48 6.381 5.545 1.888 1.00 0.00 C ATOM 736 O VAL A 48 6.167 5.433 0.681 1.00 0.00 O ATOM 737 CB VAL A 48 8.614 4.091 2.351 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.175 4.522 1.011 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.558 4.528 3.470 1.00 0.00 C ATOM 0 H VAL A 48 5.978 3.056 1.686 1.00 0.00 H new ATOM 0 HA VAL A 48 7.262 4.934 3.644 1.00 0.00 H new ATOM 0 HB VAL A 48 8.562 3.005 2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.212 4.196 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.589 4.073 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.129 5.608 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.581 4.253 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.494 5.609 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.274 4.035 4.399 1.00 0.00 H new ATOM 749 N CYS A 49 5.801 6.502 2.632 1.00 0.00 N ATOM 750 CA CYS A 49 4.796 7.461 2.165 1.00 0.00 C ATOM 751 C CYS A 49 5.331 8.272 0.980 1.00 0.00 C ATOM 752 O CYS A 49 6.515 8.604 0.973 1.00 0.00 O ATOM 753 CB CYS A 49 4.394 8.385 3.332 1.00 0.00 C ATOM 754 SG CYS A 49 5.724 8.989 4.424 1.00 0.00 S ATOM 0 H CYS A 49 6.033 6.630 3.617 1.00 0.00 H new ATOM 0 HA CYS A 49 3.914 6.921 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.882 9.252 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.669 7.853 3.948 1.00 0.00 H new ATOM 0 HG CYS A 49 6.874 8.813 3.845 1.00 0.00 H new ATOM 759 N PRO A 50 4.486 8.670 0.008 1.00 0.00 N ATOM 760 CA PRO A 50 4.959 9.308 -1.221 1.00 0.00 C ATOM 761 C PRO A 50 5.701 10.625 -0.958 1.00 0.00 C ATOM 762 O PRO A 50 6.635 10.952 -1.694 1.00 0.00 O ATOM 763 CB PRO A 50 3.719 9.494 -2.103 1.00 0.00 C ATOM 764 CG PRO A 50 2.548 9.442 -1.121 1.00 0.00 C ATOM 765 CD PRO A 50 3.044 8.479 -0.043 1.00 0.00 C ATOM 0 HA PRO A 50 5.702 8.685 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.749 10.444 -2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.644 8.708 -2.855 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.322 10.426 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.637 9.079 -1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.584 8.697 0.921 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.792 7.448 -0.291 1.00 0.00 H new ATOM 773 N TRP A 51 5.339 11.334 0.120 1.00 0.00 N ATOM 774 CA TRP A 51 6.071 12.483 0.637 1.00 0.00 C ATOM 775 C TRP A 51 7.531 12.094 0.877 1.00 0.00 C ATOM 776 O TRP A 51 8.428 12.597 0.194 1.00 0.00 O ATOM 777 CB TRP A 51 5.399 13.011 1.923 1.00 0.00 C ATOM 778 CG TRP A 51 6.292 13.802 2.837 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.204 14.715 2.435 1.00 0.00 C ATOM 780 CD2 TRP A 51 6.474 13.677 4.284 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.973 15.114 3.505 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.555 14.522 4.679 1.00 0.00 C ATOM 783 CE3 TRP A 51 5.856 12.912 5.299 1.00 0.00 C ATOM 784 CZ2 TRP A 51 8.001 14.602 6.007 1.00 0.00 C ATOM 785 CZ3 TRP A 51 6.288 12.993 6.638 1.00 0.00 C ATOM 786 CH2 TRP A 51 7.357 13.835 6.993 1.00 0.00 C ATOM 0 H TRP A 51 4.506 11.113 0.666 1.00 0.00 H new ATOM 0 HA TRP A 51 6.052 13.291 -0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.552 13.636 1.640 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.998 12.163 2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.313 15.078 1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.754 15.766 3.438 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.038 12.254 5.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.829 15.245 6.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.795 12.404 7.397 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.682 13.892 8.021 1.00 0.00 H new ATOM 797 N CYS A 52 7.770 11.206 1.850 1.00 0.00 N ATOM 798 CA CYS A 52 9.124 10.848 2.226 1.00 0.00 C ATOM 799 C CYS A 52 9.817 10.106 1.097 1.00 0.00 C ATOM 800 O CYS A 52 11.027 10.216 0.974 1.00 0.00 O ATOM 801 CB CYS A 52 9.143 10.007 3.497 1.00 0.00 C ATOM 802 SG CYS A 52 8.890 8.236 3.288 1.00 0.00 S ATOM 0 H CYS A 52 7.042 10.730 2.382 1.00 0.00 H new ATOM 0 HA CYS A 52 9.666 11.773 2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.101 10.159 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 52 8.373 10.385 4.169 1.00 0.00 H new ATOM 0 HG CYS A 52 8.785 7.672 4.455 1.00 0.00 H new ATOM 807 N ALA A 53 9.074 9.367 0.266 1.00 0.00 N ATOM 808 CA ALA A 53 9.671 8.626 -0.821 1.00 0.00 C ATOM 809 C ALA A 53 10.228 9.585 -1.881 1.00 0.00 C ATOM 810 O ALA A 53 11.246 9.276 -2.501 1.00 0.00 O ATOM 811 CB ALA A 53 8.651 7.660 -1.436 1.00 0.00 C ATOM 0 H ALA A 53 8.061 9.274 0.335 1.00 0.00 H new ATOM 0 HA ALA A 53 10.500 8.037 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.118 7.110 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.309 6.958 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.800 8.224 -1.818 1.00 0.00 H new ATOM 817 N THR A 54 9.567 10.738 -2.067 1.00 0.00 N ATOM 818 CA THR A 54 10.000 11.817 -2.952 1.00 0.00 C ATOM 819 C THR A 54 11.129 12.637 -2.309 1.00 0.00 C ATOM 820 O THR A 54 12.085 12.988 -2.995 1.00 0.00 O ATOM 821 CB THR A 54 8.794 12.714 -3.302 1.00 0.00 C ATOM 822 OG1 THR A 54 7.713 11.935 -3.771 1.00 0.00 O ATOM 823 CG2 THR A 54 9.125 13.741 -4.390 1.00 0.00 C ATOM 0 H THR A 54 8.690 10.946 -1.589 1.00 0.00 H new ATOM 0 HA THR A 54 10.395 11.383 -3.871 1.00 0.00 H new ATOM 0 HB THR A 54 8.532 13.236 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.150 11.668 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.243 14.347 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.935 14.385 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.433 13.223 -5.298 1.00 0.00 H new ATOM 831 N ASN A 55 11.027 12.967 -1.010 1.00 0.00 N ATOM 832 CA ASN A 55 12.075 13.712 -0.285 1.00 0.00 C ATOM 833 C ASN A 55 13.354 12.882 -0.140 1.00 0.00 C ATOM 834 O ASN A 55 14.456 13.427 -0.150 1.00 0.00 O ATOM 835 CB ASN A 55 11.589 14.110 1.126 1.00 0.00 C ATOM 836 CG ASN A 55 10.553 15.230 1.173 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.341 15.853 2.209 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.866 15.502 0.074 1.00 0.00 N ATOM 0 H ASN A 55 10.220 12.727 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 55 12.290 14.606 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.167 13.228 1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.453 14.413 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.155 16.233 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.048 14.980 -0.783 1.00 0.00 H new ATOM 940 N PRO B 7 17.411 -4.959 -0.864 1.00 0.00 N ATOM 941 CA PRO B 7 16.429 -5.623 -1.709 1.00 0.00 C ATOM 942 C PRO B 7 15.032 -5.561 -1.058 1.00 0.00 C ATOM 943 O PRO B 7 14.316 -6.565 -1.033 1.00 0.00 O ATOM 944 CB PRO B 7 16.998 -7.040 -1.864 1.00 0.00 C ATOM 945 CG PRO B 7 17.675 -7.307 -0.518 1.00 0.00 C ATOM 946 CD PRO B 7 18.139 -5.922 -0.064 1.00 0.00 C ATOM 0 HA PRO B 7 16.278 -5.161 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO B 7 16.212 -7.767 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.709 -7.098 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.983 -7.752 0.197 1.00 0.00 H new ATOM 0 HG3 PRO B 7 18.513 -7.996 -0.621 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.938 -5.775 0.997 1.00 0.00 H new ATOM 0 HD3 PRO B 7 19.214 -5.808 -0.204 1.00 0.00 H new ATOM 954 N GLN B 8 14.651 -4.399 -0.500 1.00 0.00 N ATOM 955 CA GLN B 8 13.384 -4.183 0.191 1.00 0.00 C ATOM 956 C GLN B 8 12.671 -2.955 -0.379 1.00 0.00 C ATOM 957 O GLN B 8 11.575 -3.134 -0.897 1.00 0.00 O ATOM 958 CB GLN B 8 13.555 -4.117 1.721 1.00 0.00 C ATOM 959 CG GLN B 8 13.477 -5.488 2.422 1.00 0.00 C ATOM 960 CD GLN B 8 14.667 -6.407 2.145 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.815 -5.983 2.206 1.00 0.00 O ATOM 962 NE2 GLN B 8 14.443 -7.686 1.866 1.00 0.00 N ATOM 0 H GLN B 8 15.238 -3.565 -0.522 1.00 0.00 H new ATOM 0 HA GLN B 8 12.747 -5.049 0.009 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.517 -3.658 1.949 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.785 -3.465 2.134 1.00 0.00 H new ATOM 0 HG2 GLN B 8 13.399 -5.329 3.497 1.00 0.00 H new ATOM 0 HG3 GLN B 8 12.563 -5.992 2.107 1.00 0.00 H new ATOM 0 HE21 GLN B 8 13.487 -8.037 1.816 1.00 0.00 H new ATOM 0 HE22 GLN B 8 15.227 -8.317 1.702 1.00 0.00 H new ATOM 971 N ARG B 9 13.228 -1.734 -0.286 1.00 0.00 N ATOM 972 CA ARG B 9 12.647 -0.508 -0.862 1.00 0.00 C ATOM 973 C ARG B 9 12.258 -0.692 -2.335 1.00 0.00 C ATOM 974 O ARG B 9 13.102 -0.520 -3.215 1.00 0.00 O ATOM 975 CB ARG B 9 13.613 0.683 -0.667 1.00 0.00 C ATOM 976 CG ARG B 9 13.027 2.055 -0.972 1.00 0.00 C ATOM 977 CD ARG B 9 13.054 2.509 -2.439 1.00 0.00 C ATOM 978 NE ARG B 9 12.717 3.942 -2.565 1.00 0.00 N ATOM 979 CZ ARG B 9 13.587 4.964 -2.520 1.00 0.00 C ATOM 980 NH1 ARG B 9 14.891 4.754 -2.358 1.00 0.00 N ATOM 981 NH2 ARG B 9 13.181 6.228 -2.639 1.00 0.00 N ATOM 0 H ARG B 9 14.110 -1.569 0.200 1.00 0.00 H new ATOM 0 HA ARG B 9 11.723 -0.289 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.965 0.678 0.364 1.00 0.00 H new ATOM 0 HB3 ARG B 9 14.485 0.530 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.991 2.065 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG B 9 13.565 2.794 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG B 9 14.043 2.328 -2.860 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.347 1.915 -3.019 1.00 0.00 H new ATOM 0 HE ARG B 9 11.733 4.177 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG B 9 15.247 3.803 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG B 9 15.535 5.544 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG B 9 12.191 6.436 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG B 9 13.861 6.988 -2.602 1.00 0.00 H new ATOM 995 N HIS B 10 10.988 -0.998 -2.619 1.00 0.00 N ATOM 996 CA HIS B 10 10.501 -1.338 -3.950 1.00 0.00 C ATOM 997 C HIS B 10 9.282 -0.477 -4.305 1.00 0.00 C ATOM 998 O HIS B 10 8.760 0.256 -3.465 1.00 0.00 O ATOM 999 CB HIS B 10 10.180 -2.839 -4.007 1.00 0.00 C ATOM 1000 CG HIS B 10 11.341 -3.795 -3.831 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.281 -5.071 -3.320 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.653 -3.548 -4.118 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.524 -5.580 -3.340 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.398 -4.691 -3.828 1.00 0.00 N ATOM 0 H HIS B 10 10.256 -1.015 -1.909 1.00 0.00 H new ATOM 0 HA HIS B 10 11.271 -1.128 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.441 -3.057 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.710 -3.049 -4.968 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.442 -5.546 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS B 10 13.049 -2.621 -4.506 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.784 -6.574 -3.007 1.00 0.00 H new ATOM 1012 N LYS B 11 8.848 -0.532 -5.571 1.00 0.00 N ATOM 1013 CA LYS B 11 7.892 0.399 -6.167 1.00 0.00 C ATOM 1014 C LYS B 11 6.900 -0.391 -7.014 1.00 0.00 C ATOM 1015 O LYS B 11 7.203 -0.724 -8.159 1.00 0.00 O ATOM 1016 CB LYS B 11 8.611 1.474 -7.008 1.00 0.00 C ATOM 1017 CG LYS B 11 9.451 2.470 -6.182 1.00 0.00 C ATOM 1018 CD LYS B 11 10.959 2.407 -6.481 1.00 0.00 C ATOM 1019 CE LYS B 11 11.342 2.964 -7.863 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.323 4.443 -7.911 1.00 0.00 N ATOM 0 H LYS B 11 9.164 -1.248 -6.225 1.00 0.00 H new ATOM 0 HA LYS B 11 7.355 0.922 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.261 0.979 -7.729 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.867 2.030 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.093 3.481 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.292 2.274 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.496 2.965 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.290 1.371 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.338 2.609 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.653 2.572 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.024 4.777 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.376 4.769 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.556 4.824 -6.972 1.00 0.00 H new ATOM 1034 N ILE B 12 5.728 -0.709 -6.460 1.00 0.00 N ATOM 1035 CA ILE B 12 4.634 -1.285 -7.233 1.00 0.00 C ATOM 1036 C ILE B 12 3.912 -0.105 -7.877 1.00 0.00 C ATOM 1037 O ILE B 12 3.111 0.563 -7.234 1.00 0.00 O ATOM 1038 CB ILE B 12 3.675 -2.146 -6.377 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.441 -3.202 -5.557 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.622 -2.805 -7.295 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.536 -3.947 -4.574 1.00 0.00 C ATOM 0 H ILE B 12 5.515 -0.575 -5.472 1.00 0.00 H new ATOM 0 HA ILE B 12 5.022 -1.977 -7.981 1.00 0.00 H new ATOM 0 HB ILE B 12 3.168 -1.499 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.904 -3.919 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.247 -2.716 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.945 -3.412 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.054 -2.031 -7.811 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.123 -3.437 -8.028 1.00 0.00 H new ATOM 0 HD11 ILE B 12 4.124 -4.679 -4.021 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.093 -3.236 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.745 -4.457 -5.123 1.00 0.00 H new ATOM 1053 N LEU B 13 4.199 0.190 -9.140 1.00 0.00 N ATOM 1054 CA LEU B 13 3.364 1.091 -9.908 1.00 0.00 C ATOM 1055 C LEU B 13 1.988 0.449 -10.059 1.00 0.00 C ATOM 1056 O LEU B 13 1.836 -0.550 -10.759 1.00 0.00 O ATOM 1057 CB LEU B 13 4.016 1.464 -11.242 1.00 0.00 C ATOM 1058 CG LEU B 13 3.252 2.617 -11.931 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.251 3.473 -12.709 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.150 2.137 -12.885 1.00 0.00 C ATOM 0 H LEU B 13 5.001 -0.183 -9.648 1.00 0.00 H new ATOM 0 HA LEU B 13 3.245 2.040 -9.385 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.052 1.759 -11.074 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.035 0.593 -11.897 1.00 0.00 H new ATOM 0 HG LEU B 13 2.759 3.189 -11.145 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.724 4.291 -13.200 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.993 3.880 -12.023 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.749 2.859 -13.460 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.656 2.999 -13.333 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.591 1.523 -13.670 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.420 1.548 -12.330 1.00 0.00 H new ATOM 1072 N CYS B 14 1.004 1.027 -9.376 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.405 0.720 -9.516 1.00 0.00 C ATOM 1074 C CYS B 14 -1.111 1.960 -10.084 1.00 0.00 C ATOM 1075 O CYS B 14 -0.471 2.949 -10.461 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.939 0.290 -8.139 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.479 -0.661 -8.281 1.00 0.00 S ATOM 0 H CYS B 14 1.181 1.753 -8.681 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.589 -0.102 -10.207 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.186 -0.311 -7.629 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.112 1.173 -7.524 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.537 -1.538 -7.323 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.441 1.923 -10.119 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.269 3.091 -10.357 1.00 0.00 C ATOM 1085 C VAL B 15 -4.207 3.254 -9.169 1.00 0.00 C ATOM 1086 O VAL B 15 -4.464 2.298 -8.432 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.026 3.006 -11.698 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.045 3.073 -12.876 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -4.900 1.747 -11.809 1.00 0.00 C ATOM 0 H VAL B 15 -2.976 1.066 -9.980 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.638 3.976 -10.445 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.696 3.865 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.598 3.012 -13.814 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.496 4.014 -12.839 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.344 2.241 -12.813 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.409 1.741 -12.773 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.272 0.860 -11.724 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.640 1.746 -11.009 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.716 4.471 -8.979 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.699 4.713 -7.951 1.00 0.00 C ATOM 1101 C CYS B 16 -7.001 4.018 -8.332 1.00 0.00 C ATOM 1102 O CYS B 16 -7.564 4.301 -9.387 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.937 6.200 -7.703 1.00 0.00 C ATOM 1104 SG CYS B 16 -6.919 6.204 -6.182 1.00 0.00 S ATOM 0 H CYS B 16 -4.459 5.293 -9.525 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.315 4.303 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.001 6.744 -7.581 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.471 6.667 -8.530 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.969 5.000 -5.695 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.508 3.190 -7.422 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.754 2.444 -7.532 1.00 0.00 C ATOM 1111 C CYS B 17 -9.918 3.315 -8.022 1.00 0.00 C ATOM 1112 O CYS B 17 -10.752 2.852 -8.797 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.069 1.878 -6.143 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.443 0.702 -6.236 1.00 0.00 S ATOM 0 H CYS B 17 -7.031 3.013 -6.538 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.633 1.652 -8.271 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.187 1.384 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.323 2.690 -5.462 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.317 0.982 -5.315 1.00 0.00 H new ATOM 1120 N LYS B 18 -9.974 4.576 -7.572 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.106 5.465 -7.788 1.00 0.00 C ATOM 1122 C LYS B 18 -10.767 6.734 -8.576 1.00 0.00 C ATOM 1123 O LYS B 18 -11.685 7.453 -8.961 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.763 5.752 -6.435 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.817 6.310 -5.347 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.609 6.878 -4.157 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.012 5.875 -3.059 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.744 4.683 -3.539 1.00 0.00 N ATOM 0 H LYS B 18 -9.218 5.007 -7.040 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.820 4.957 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.575 6.463 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.212 4.830 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.152 5.519 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.188 7.091 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.014 7.667 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.515 7.345 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.111 5.545 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.631 6.392 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.076 4.128 -2.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.561 4.983 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.111 4.098 -4.122 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.485 7.000 -8.846 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.030 8.116 -9.660 1.00 0.00 C ATOM 1144 C CYS B 19 -8.401 7.676 -10.987 1.00 0.00 C ATOM 1145 O CYS B 19 -8.166 8.529 -11.837 1.00 0.00 O ATOM 1146 CB CYS B 19 -8.044 8.976 -8.881 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.158 9.035 -7.073 1.00 0.00 S ATOM 0 H CYS B 19 -8.720 6.426 -8.492 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.918 8.699 -9.905 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.040 8.636 -9.135 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.138 9.998 -9.249 1.00 0.00 H new ATOM 0 HG CYS B 19 -7.609 7.970 -6.569 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.087 6.380 -11.145 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.339 5.786 -12.260 1.00 0.00 C ATOM 1154 C ASP B 20 -6.019 6.521 -12.562 1.00 0.00 C ATOM 1155 O ASP B 20 -5.525 6.531 -13.687 1.00 0.00 O ATOM 1156 CB ASP B 20 -8.264 5.603 -13.472 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.672 4.670 -14.537 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.022 3.675 -14.140 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -7.936 4.925 -15.734 1.00 0.00 O ATOM 0 H ASP B 20 -8.365 5.680 -10.457 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.006 4.791 -11.965 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.220 5.203 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -8.465 6.576 -13.920 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.431 7.156 -11.539 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.190 7.912 -11.679 1.00 0.00 C ATOM 1166 C GLY B 21 -3.010 7.056 -11.255 1.00 0.00 C ATOM 1167 O GLY B 21 -3.134 6.241 -10.348 1.00 0.00 O ATOM 0 H GLY B 21 -5.808 7.157 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.064 8.232 -12.713 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.233 8.814 -11.069 1.00 0.00 H new ATOM 1171 N ARG B 22 -1.858 7.272 -11.885 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.620 6.520 -11.691 1.00 0.00 C ATOM 1173 C ARG B 22 -0.144 6.694 -10.251 1.00 0.00 C ATOM 1174 O ARG B 22 0.150 7.824 -9.861 1.00 0.00 O ATOM 1175 CB ARG B 22 0.399 7.037 -12.726 1.00 0.00 C ATOM 1176 CG ARG B 22 1.804 6.413 -12.679 1.00 0.00 C ATOM 1177 CD ARG B 22 2.800 7.167 -11.779 1.00 0.00 C ATOM 1178 NE ARG B 22 4.186 6.786 -12.101 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.269 6.991 -11.339 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.250 7.777 -10.267 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.410 6.369 -11.614 1.00 0.00 N ATOM 0 H ARG B 22 -1.757 8.013 -12.579 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.759 5.450 -11.846 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.013 6.873 -13.722 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.500 8.114 -12.596 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.721 5.385 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.205 6.373 -13.692 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.674 8.242 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.591 6.946 -10.732 1.00 0.00 H new ATOM 0 HE ARG B 22 4.337 6.319 -12.995 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.388 8.251 -9.997 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.097 7.906 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.465 5.732 -12.409 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.231 6.529 -11.031 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.019 5.601 -9.485 1.00 0.00 N ATOM 1196 CA ILE B 23 0.570 5.648 -8.152 1.00 0.00 C ATOM 1197 C ILE B 23 1.761 4.694 -8.100 1.00 0.00 C ATOM 1198 O ILE B 23 1.615 3.485 -8.253 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.409 5.321 -7.000 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.836 5.891 -7.119 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.267 5.879 -5.728 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.763 5.338 -6.025 1.00 0.00 C ATOM 0 H ILE B 23 -0.322 4.671 -9.774 1.00 0.00 H new ATOM 0 HA ILE B 23 0.876 6.682 -7.991 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.574 4.244 -7.002 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.800 6.978 -7.050 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.245 5.647 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.368 5.686 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.232 5.392 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.415 6.953 -5.836 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.759 5.764 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.819 4.253 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.368 5.605 -5.045 1.00 0.00 H new ATOM 1214 N GLU B 24 2.944 5.239 -7.840 1.00 0.00 N ATOM 1215 CA GLU B 24 4.160 4.491 -7.570 1.00 0.00 C ATOM 1216 C GLU B 24 4.177 4.082 -6.095 1.00 0.00 C ATOM 1217 O GLU B 24 4.655 4.823 -5.231 1.00 0.00 O ATOM 1218 CB GLU B 24 5.311 5.394 -7.999 1.00 0.00 C ATOM 1219 CG GLU B 24 6.712 4.816 -7.823 1.00 0.00 C ATOM 1220 CD GLU B 24 7.793 5.771 -8.353 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.477 6.643 -9.204 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.961 5.580 -7.952 1.00 0.00 O ATOM 0 H GLU B 24 3.085 6.249 -7.811 1.00 0.00 H new ATOM 0 HA GLU B 24 4.239 3.555 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.174 5.651 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.249 6.323 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.892 4.613 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.781 3.863 -8.347 1.00 0.00 H new ATOM 1229 N LEU B 25 3.592 2.917 -5.796 1.00 0.00 N ATOM 1230 CA LEU B 25 3.422 2.447 -4.429 1.00 0.00 C ATOM 1231 C LEU B 25 4.779 2.019 -3.896 1.00 0.00 C ATOM 1232 O LEU B 25 5.258 0.931 -4.224 1.00 0.00 O ATOM 1233 CB LEU B 25 2.429 1.281 -4.321 1.00 0.00 C ATOM 1234 CG LEU B 25 1.075 1.499 -5.009 1.00 0.00 C ATOM 1235 CD1 LEU B 25 0.218 0.253 -4.807 1.00 0.00 C ATOM 1236 CD2 LEU B 25 0.359 2.703 -4.404 1.00 0.00 C ATOM 0 H LEU B 25 3.225 2.277 -6.500 1.00 0.00 H new ATOM 0 HA LEU B 25 3.008 3.265 -3.839 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.893 0.391 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.251 1.075 -3.266 1.00 0.00 H new ATOM 0 HG LEU B 25 1.236 1.683 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.748 0.394 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.721 -0.609 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU B 25 0.068 0.083 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.600 2.845 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.193 2.531 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.972 3.595 -4.536 1.00 0.00 H new ATOM 1248 N THR B 26 5.420 2.885 -3.113 1.00 0.00 N ATOM 1249 CA THR B 26 6.715 2.569 -2.543 1.00 0.00 C ATOM 1250 C THR B 26 6.484 1.726 -1.281 1.00 0.00 C ATOM 1251 O THR B 26 6.148 2.246 -0.213 1.00 0.00 O ATOM 1252 CB THR B 26 7.567 3.831 -2.379 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.527 4.598 -3.573 1.00 0.00 O ATOM 1254 CG2 THR B 26 9.040 3.458 -2.153 1.00 0.00 C ATOM 0 H THR B 26 5.060 3.806 -2.863 1.00 0.00 H new ATOM 0 HA THR B 26 7.321 1.956 -3.210 1.00 0.00 H new ATOM 0 HB THR B 26 7.170 4.389 -1.531 1.00 0.00 H new ATOM 0 HG1 THR B 26 8.072 5.405 -3.462 1.00 0.00 H new ATOM 0 HG21 THR B 26 9.632 4.366 -2.038 1.00 0.00 H new ATOM 0 HG22 THR B 26 9.128 2.852 -1.251 1.00 0.00 H new ATOM 0 HG23 THR B 26 9.407 2.891 -3.009 1.00 0.00 H new ATOM 1262 N VAL B 27 6.605 0.404 -1.444 1.00 0.00 N ATOM 1263 CA VAL B 27 6.387 -0.605 -0.409 1.00 0.00 C ATOM 1264 C VAL B 27 7.756 -1.261 -0.244 1.00 0.00 C ATOM 1265 O VAL B 27 8.423 -1.591 -1.229 1.00 0.00 O ATOM 1266 CB VAL B 27 5.216 -1.586 -0.750 1.00 0.00 C ATOM 1267 CG1 VAL B 27 4.007 -0.840 -1.333 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.612 -2.679 -1.754 1.00 0.00 C ATOM 0 H VAL B 27 6.869 -0.006 -2.340 1.00 0.00 H new ATOM 0 HA VAL B 27 6.044 -0.182 0.535 1.00 0.00 H new ATOM 0 HB VAL B 27 4.961 -2.054 0.201 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.214 -1.553 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.645 -0.111 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL B 27 4.303 -0.326 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.755 -3.324 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.935 -2.217 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.428 -3.273 -1.342 1.00 0.00 H new ATOM 1278 N GLU B 28 8.228 -1.375 0.989 1.00 0.00 N ATOM 1279 CA GLU B 28 9.578 -1.818 1.271 1.00 0.00 C ATOM 1280 C GLU B 28 9.457 -3.242 1.794 1.00 0.00 C ATOM 1281 O GLU B 28 9.008 -3.442 2.924 1.00 0.00 O ATOM 1282 CB GLU B 28 10.297 -0.841 2.210 1.00 0.00 C ATOM 1283 CG GLU B 28 10.134 0.637 1.841 1.00 0.00 C ATOM 1284 CD GLU B 28 11.244 1.468 2.491 1.00 0.00 C ATOM 1285 OE1 GLU B 28 11.566 1.192 3.666 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.838 2.336 1.820 1.00 0.00 O ATOM 0 H GLU B 28 7.680 -1.161 1.822 1.00 0.00 H new ATOM 0 HA GLU B 28 10.211 -1.826 0.384 1.00 0.00 H new ATOM 0 HB2 GLU B 28 9.925 -0.992 3.223 1.00 0.00 H new ATOM 0 HB3 GLU B 28 11.360 -1.084 2.221 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.168 0.755 0.758 1.00 0.00 H new ATOM 0 HG3 GLU B 28 9.159 0.997 2.171 1.00 0.00 H new ATOM 1293 N SER B 29 9.752 -4.231 0.938 1.00 0.00 N ATOM 1294 CA SER B 29 9.730 -5.641 1.317 1.00 0.00 C ATOM 1295 C SER B 29 10.426 -6.456 0.239 1.00 0.00 C ATOM 1296 O SER B 29 10.524 -6.011 -0.905 1.00 0.00 O ATOM 1297 CB SER B 29 8.296 -6.159 1.436 1.00 0.00 C ATOM 1298 OG SER B 29 8.237 -7.282 2.297 1.00 0.00 O ATOM 0 H SER B 29 10.012 -4.070 -0.035 1.00 0.00 H new ATOM 0 HA SER B 29 10.232 -5.739 2.279 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.649 -5.369 1.817 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.920 -6.431 0.450 1.00 0.00 H new ATOM 0 HG SER B 29 7.310 -7.592 2.367 1.00 0.00 H new ATOM 1304 N SER B 30 10.846 -7.672 0.585 1.00 0.00 N ATOM 1305 CA SER B 30 11.467 -8.616 -0.330 1.00 0.00 C ATOM 1306 C SER B 30 10.594 -8.808 -1.574 1.00 0.00 C ATOM 1307 O SER B 30 9.364 -8.816 -1.483 1.00 0.00 O ATOM 1308 CB SER B 30 11.671 -9.933 0.417 1.00 0.00 C ATOM 1309 OG SER B 30 12.364 -9.682 1.631 1.00 0.00 O ATOM 0 H SER B 30 10.759 -8.033 1.535 1.00 0.00 H new ATOM 0 HA SER B 30 12.431 -8.239 -0.672 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.708 -10.400 0.624 1.00 0.00 H new ATOM 0 HB3 SER B 30 12.237 -10.631 -0.200 1.00 0.00 H new ATOM 0 HG SER B 30 12.495 -10.525 2.113 1.00 0.00 H new ATOM 1315 N ALA B 31 11.227 -8.973 -2.742 1.00 0.00 N ATOM 1316 CA ALA B 31 10.529 -8.945 -4.024 1.00 0.00 C ATOM 1317 C ALA B 31 9.361 -9.938 -4.071 1.00 0.00 C ATOM 1318 O ALA B 31 8.285 -9.590 -4.544 1.00 0.00 O ATOM 1319 CB ALA B 31 11.525 -9.208 -5.158 1.00 0.00 C ATOM 0 H ALA B 31 12.232 -9.129 -2.820 1.00 0.00 H new ATOM 0 HA ALA B 31 10.095 -7.953 -4.151 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.002 -9.187 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.297 -8.439 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.986 -10.186 -5.018 1.00 0.00 H new ATOM 1325 N GLU B 32 9.546 -11.153 -3.550 1.00 0.00 N ATOM 1326 CA GLU B 32 8.525 -12.199 -3.562 1.00 0.00 C ATOM 1327 C GLU B 32 7.347 -11.895 -2.633 1.00 0.00 C ATOM 1328 O GLU B 32 6.218 -12.302 -2.906 1.00 0.00 O ATOM 1329 CB GLU B 32 9.170 -13.526 -3.149 1.00 0.00 C ATOM 1330 CG GLU B 32 9.193 -14.501 -4.334 1.00 0.00 C ATOM 1331 CD GLU B 32 9.970 -15.777 -4.007 1.00 0.00 C ATOM 1332 OE1 GLU B 32 11.217 -15.712 -4.083 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.309 -16.792 -3.701 1.00 0.00 O ATOM 0 H GLU B 32 10.417 -11.440 -3.104 1.00 0.00 H new ATOM 0 HA GLU B 32 8.125 -12.254 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.186 -13.349 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.615 -13.965 -2.320 1.00 0.00 H new ATOM 0 HG2 GLU B 32 8.171 -14.759 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU B 32 9.644 -14.012 -5.198 1.00 0.00 H new ATOM 1340 N ASP B 33 7.597 -11.178 -1.540 1.00 0.00 N ATOM 1341 CA ASP B 33 6.586 -10.737 -0.599 1.00 0.00 C ATOM 1342 C ASP B 33 5.744 -9.640 -1.265 1.00 0.00 C ATOM 1343 O ASP B 33 4.519 -9.743 -1.334 1.00 0.00 O ATOM 1344 CB ASP B 33 7.304 -10.302 0.684 1.00 0.00 C ATOM 1345 CG ASP B 33 6.353 -9.763 1.737 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.778 -10.587 2.477 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.277 -8.513 1.815 1.00 0.00 O ATOM 0 H ASP B 33 8.539 -10.882 -1.282 1.00 0.00 H new ATOM 0 HA ASP B 33 5.886 -11.525 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.850 -11.151 1.095 1.00 0.00 H new ATOM 0 HB3 ASP B 33 8.041 -9.537 0.441 1.00 0.00 H new ATOM 1352 N LEU B 34 6.419 -8.675 -1.905 1.00 0.00 N ATOM 1353 CA LEU B 34 5.843 -7.639 -2.771 1.00 0.00 C ATOM 1354 C LEU B 34 5.004 -8.234 -3.905 1.00 0.00 C ATOM 1355 O LEU B 34 3.993 -7.677 -4.312 1.00 0.00 O ATOM 1356 CB LEU B 34 6.981 -6.733 -3.293 1.00 0.00 C ATOM 1357 CG LEU B 34 6.735 -6.012 -4.645 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.516 -4.699 -4.651 1.00 0.00 C ATOM 1359 CD2 LEU B 34 7.216 -6.797 -5.877 1.00 0.00 C ATOM 0 H LEU B 34 7.433 -8.593 -1.828 1.00 0.00 H new ATOM 0 HA LEU B 34 5.150 -7.033 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.187 -5.976 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.881 -7.340 -3.390 1.00 0.00 H new ATOM 0 HG LEU B 34 5.655 -5.885 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU B 34 7.352 -4.182 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.175 -4.069 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.579 -4.908 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU B 34 7.006 -6.222 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU B 34 8.289 -6.973 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.694 -7.753 -5.926 1.00 0.00 H new ATOM 1371 N ARG B 35 5.454 -9.363 -4.425 1.00 0.00 N ATOM 1372 CA ARG B 35 4.905 -10.093 -5.566 1.00 0.00 C ATOM 1373 C ARG B 35 3.714 -10.909 -5.131 1.00 0.00 C ATOM 1374 O ARG B 35 2.731 -10.963 -5.852 1.00 0.00 O ATOM 1375 CB ARG B 35 5.942 -11.026 -6.196 1.00 0.00 C ATOM 1376 CG ARG B 35 5.487 -11.542 -7.568 1.00 0.00 C ATOM 1377 CD ARG B 35 6.608 -12.300 -8.283 1.00 0.00 C ATOM 1378 NE ARG B 35 6.168 -12.747 -9.616 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.917 -13.384 -10.527 1.00 0.00 C ATOM 1380 NH1 ARG B 35 8.187 -13.698 -10.265 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.389 -13.707 -11.709 1.00 0.00 N ATOM 0 H ARG B 35 6.272 -9.832 -4.036 1.00 0.00 H new ATOM 0 HA ARG B 35 4.607 -9.355 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.889 -10.497 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.122 -11.871 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.625 -12.198 -7.444 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.163 -10.703 -8.184 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.483 -11.658 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.909 -13.161 -7.686 1.00 0.00 H new ATOM 0 HE ARG B 35 5.199 -12.553 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.597 -13.453 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.747 -14.183 -10.966 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.419 -13.469 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.955 -14.192 -12.405 1.00 0.00 H new ATOM 1395 N THR B 36 3.786 -11.520 -3.958 1.00 0.00 N ATOM 1396 CA THR B 36 2.635 -12.132 -3.309 1.00 0.00 C ATOM 1397 C THR B 36 1.542 -11.061 -3.183 1.00 0.00 C ATOM 1398 O THR B 36 0.434 -11.232 -3.693 1.00 0.00 O ATOM 1399 CB THR B 36 3.066 -12.752 -1.967 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.134 -13.656 -2.184 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.924 -13.524 -1.299 1.00 0.00 C ATOM 0 H THR B 36 4.651 -11.606 -3.425 1.00 0.00 H new ATOM 0 HA THR B 36 2.223 -12.955 -3.893 1.00 0.00 H new ATOM 0 HB THR B 36 3.367 -11.932 -1.315 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.987 -13.189 -2.065 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.272 -13.945 -0.356 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.090 -12.848 -1.109 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.596 -14.329 -1.956 1.00 0.00 H new ATOM 1409 N LEU B 37 1.901 -9.899 -2.629 1.00 0.00 N ATOM 1410 CA LEU B 37 1.094 -8.684 -2.614 1.00 0.00 C ATOM 1411 C LEU B 37 0.656 -8.257 -4.035 1.00 0.00 C ATOM 1412 O LEU B 37 -0.480 -7.828 -4.219 1.00 0.00 O ATOM 1413 CB LEU B 37 1.881 -7.640 -1.792 1.00 0.00 C ATOM 1414 CG LEU B 37 1.791 -6.169 -2.192 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.391 -5.568 -1.937 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.774 -5.372 -1.331 1.00 0.00 C ATOM 0 H LEU B 37 2.799 -9.779 -2.161 1.00 0.00 H new ATOM 0 HA LEU B 37 0.131 -8.831 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.553 -7.721 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.933 -7.925 -1.817 1.00 0.00 H new ATOM 0 HG LEU B 37 2.012 -6.111 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.384 -4.521 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.352 -6.118 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.151 -5.641 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.724 -4.318 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.513 -5.488 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.786 -5.742 -1.497 1.00 0.00 H new ATOM 1428 N GLN B 38 1.476 -8.439 -5.075 1.00 0.00 N ATOM 1429 CA GLN B 38 1.085 -8.172 -6.452 1.00 0.00 C ATOM 1430 C GLN B 38 0.025 -9.169 -6.933 1.00 0.00 C ATOM 1431 O GLN B 38 -0.836 -8.797 -7.727 1.00 0.00 O ATOM 1432 CB GLN B 38 2.324 -8.180 -7.344 1.00 0.00 C ATOM 1433 CG GLN B 38 2.082 -7.740 -8.786 1.00 0.00 C ATOM 1434 CD GLN B 38 3.430 -7.757 -9.491 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.789 -8.728 -10.149 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.241 -6.731 -9.271 1.00 0.00 N ATOM 0 H GLN B 38 2.433 -8.778 -4.979 1.00 0.00 H new ATOM 0 HA GLN B 38 0.628 -7.184 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN B 38 3.076 -7.527 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.741 -9.187 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.380 -8.411 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.644 -6.742 -8.816 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.919 -5.935 -8.720 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.187 -6.738 -9.652 1.00 0.00 H new ATOM 1445 N GLN B 39 0.034 -10.413 -6.442 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.022 -11.360 -6.749 1.00 0.00 C ATOM 1447 C GLN B 39 -2.310 -10.922 -6.051 1.00 0.00 C ATOM 1448 O GLN B 39 -3.380 -11.044 -6.637 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.665 -12.808 -6.397 1.00 0.00 C ATOM 1450 CG GLN B 39 0.716 -13.277 -6.876 1.00 0.00 C ATOM 1451 CD GLN B 39 1.120 -12.799 -8.275 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.627 -13.280 -9.286 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.043 -11.847 -8.344 1.00 0.00 N ATOM 0 H GLN B 39 0.764 -10.779 -5.831 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.164 -11.353 -7.830 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.715 -12.924 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.422 -13.466 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.466 -12.935 -6.162 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.737 -14.367 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.441 -11.460 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.354 -11.503 -9.253 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.214 -10.345 -4.843 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.359 -9.702 -4.196 1.00 0.00 C ATOM 1464 C LEU B 40 -3.886 -8.534 -5.052 1.00 0.00 C ATOM 1465 O LEU B 40 -5.102 -8.385 -5.169 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.035 -9.245 -2.760 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.395 -10.304 -1.836 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.167 -9.704 -0.446 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.182 -11.613 -1.703 1.00 0.00 C ATOM 0 H LEU B 40 -1.353 -10.313 -4.297 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.149 -10.449 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.363 -8.388 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.957 -8.897 -2.295 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.454 -10.574 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.715 -10.453 0.204 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.502 -8.844 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.121 -9.387 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.651 -12.290 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.171 -11.403 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.284 -12.077 -2.684 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.006 -7.749 -5.701 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.401 -6.691 -6.646 1.00 0.00 C ATOM 1483 C PHE B 41 -4.128 -7.285 -7.848 1.00 0.00 C ATOM 1484 O PHE B 41 -5.178 -6.790 -8.250 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.207 -5.823 -7.099 1.00 0.00 C ATOM 1486 CG PHE B 41 -1.870 -4.665 -6.176 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.714 -3.541 -6.147 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -0.715 -4.676 -5.373 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.487 -2.500 -5.234 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -0.448 -3.601 -4.508 1.00 0.00 C ATOM 1491 CZ PHE B 41 -1.366 -2.546 -4.392 1.00 0.00 C ATOM 0 H PHE B 41 -1.996 -7.832 -5.583 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.085 -6.030 -6.114 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.328 -6.461 -7.193 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.421 -5.427 -8.092 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -3.545 -3.478 -6.834 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -0.033 -5.512 -5.421 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -3.172 -1.667 -5.180 1.00 0.00 H new ATOM 0 HE2 PHE B 41 0.465 -3.587 -3.932 1.00 0.00 H new ATOM 0 HZ PHE B 41 -1.210 -1.771 -3.656 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.578 -8.358 -8.415 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.186 -9.076 -9.527 1.00 0.00 C ATOM 1503 C LEU B 42 -5.505 -9.762 -9.126 1.00 0.00 C ATOM 1504 O LEU B 42 -6.339 -10.003 -9.996 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.157 -10.083 -10.066 1.00 0.00 C ATOM 1506 CG LEU B 42 -1.986 -9.427 -10.833 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.852 -10.440 -11.036 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.420 -8.880 -12.201 1.00 0.00 C ATOM 0 H LEU B 42 -2.689 -8.755 -8.110 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.454 -8.368 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.756 -10.660 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.663 -10.787 -10.727 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.640 -8.589 -10.227 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -0.033 -9.966 -11.577 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.494 -10.785 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.222 -11.290 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.563 -8.429 -12.701 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.809 -9.695 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.196 -8.128 -12.062 1.00 0.00 H new ATOM 1520 N SER B 43 -5.701 -10.063 -7.836 1.00 0.00 N ATOM 1521 CA SER B 43 -6.919 -10.611 -7.258 1.00 0.00 C ATOM 1522 C SER B 43 -7.988 -9.518 -7.108 1.00 0.00 C ATOM 1523 O SER B 43 -8.985 -9.535 -7.829 1.00 0.00 O ATOM 1524 CB SER B 43 -6.577 -11.287 -5.919 1.00 0.00 C ATOM 1525 OG SER B 43 -7.690 -11.944 -5.353 1.00 0.00 O ATOM 0 H SER B 43 -4.972 -9.921 -7.137 1.00 0.00 H new ATOM 0 HA SER B 43 -7.342 -11.365 -7.922 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.772 -12.006 -6.072 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.206 -10.537 -5.220 1.00 0.00 H new ATOM 0 HG SER B 43 -7.428 -12.360 -4.506 1.00 0.00 H new ATOM 1531 N THR B 44 -7.803 -8.587 -6.162 1.00 0.00 N ATOM 1532 CA THR B 44 -8.769 -7.554 -5.804 1.00 0.00 C ATOM 1533 C THR B 44 -8.124 -6.242 -5.352 1.00 0.00 C ATOM 1534 O THR B 44 -8.711 -5.173 -5.547 1.00 0.00 O ATOM 1535 CB THR B 44 -9.731 -8.040 -4.694 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.047 -8.513 -3.547 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.660 -9.167 -5.150 1.00 0.00 C ATOM 0 H THR B 44 -6.947 -8.536 -5.610 1.00 0.00 H new ATOM 0 HA THR B 44 -9.322 -7.357 -6.722 1.00 0.00 H new ATOM 0 HB THR B 44 -10.315 -7.152 -4.452 1.00 0.00 H new ATOM 0 HG1 THR B 44 -8.635 -7.758 -3.077 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.308 -9.461 -4.324 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.270 -8.821 -5.984 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.065 -10.023 -5.467 1.00 0.00 H new ATOM 1545 N LEU B 45 -6.953 -6.322 -4.710 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.342 -5.207 -4.011 1.00 0.00 C ATOM 1547 C LEU B 45 -6.143 -4.052 -4.972 1.00 0.00 C ATOM 1548 O LEU B 45 -5.652 -4.230 -6.081 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.033 -5.670 -3.358 1.00 0.00 C ATOM 1550 CG LEU B 45 -4.317 -4.643 -2.469 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -5.052 -4.390 -1.154 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -2.928 -5.192 -2.152 1.00 0.00 C ATOM 0 H LEU B 45 -6.402 -7.180 -4.666 1.00 0.00 H new ATOM 0 HA LEU B 45 -6.993 -4.851 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.244 -6.555 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.347 -5.977 -4.147 1.00 0.00 H new ATOM 0 HG LEU B 45 -4.276 -3.696 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.502 -3.656 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.052 -4.011 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.127 -5.322 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -2.392 -4.484 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.024 -6.144 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -2.375 -5.341 -3.080 1.00 0.00 H new ATOM 1564 N SER B 46 -6.551 -2.864 -4.546 1.00 0.00 N ATOM 1565 CA SER B 46 -6.378 -1.632 -5.281 1.00 0.00 C ATOM 1566 C SER B 46 -5.968 -0.573 -4.259 1.00 0.00 C ATOM 1567 O SER B 46 -6.283 -0.700 -3.072 1.00 0.00 O ATOM 1568 CB SER B 46 -7.697 -1.302 -5.980 1.00 0.00 C ATOM 1569 OG SER B 46 -8.193 -2.390 -6.744 1.00 0.00 O ATOM 0 H SER B 46 -7.025 -2.734 -3.652 1.00 0.00 H new ATOM 0 HA SER B 46 -5.612 -1.693 -6.054 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.439 -1.018 -5.234 1.00 0.00 H new ATOM 0 HB3 SER B 46 -7.554 -0.440 -6.631 1.00 0.00 H new ATOM 0 HG SER B 46 -9.037 -2.133 -7.170 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.259 0.468 -4.696 1.00 0.00 N ATOM 1576 CA PHE B 47 -4.672 1.464 -3.815 1.00 0.00 C ATOM 1577 C PHE B 47 -5.338 2.808 -4.060 1.00 0.00 C ATOM 1578 O PHE B 47 -5.942 3.051 -5.103 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.150 1.528 -3.974 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.457 2.065 -2.732 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.283 3.451 -2.537 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.013 1.169 -1.741 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.688 3.935 -1.359 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.403 1.652 -0.570 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.246 3.034 -0.375 1.00 0.00 C ATOM 0 H PHE B 47 -5.077 0.641 -5.685 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.852 1.178 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -2.769 0.531 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -2.903 2.161 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.609 4.145 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.142 0.106 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.571 4.998 -1.210 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.054 0.959 0.181 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.786 3.404 0.530 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.268 3.644 -3.031 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.125 4.778 -2.772 1.00 0.00 C ATOM 1597 C VAL B 48 -5.157 5.814 -2.230 1.00 0.00 C ATOM 1598 O VAL B 48 -4.818 5.813 -1.046 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.287 4.370 -1.818 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.654 5.092 -1.716 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -7.811 3.054 -2.315 1.00 0.00 C ATOM 0 H VAL B 48 -4.557 3.533 -2.308 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.656 5.177 -3.637 1.00 0.00 H new ATOM 0 HB VAL B 48 -6.765 4.530 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.273 4.594 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.496 6.130 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -9.155 5.060 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -8.631 2.724 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.171 3.168 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.012 2.312 -2.292 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.603 6.603 -3.157 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.574 7.599 -2.869 1.00 0.00 C ATOM 1613 C CYS B 49 -4.055 8.487 -1.713 1.00 0.00 C ATOM 1614 O CYS B 49 -5.256 8.753 -1.646 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.290 8.418 -4.142 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.714 8.759 -5.229 1.00 0.00 S ATOM 0 H CYS B 49 -4.863 6.564 -4.142 1.00 0.00 H new ATOM 0 HA CYS B 49 -2.643 7.120 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.854 9.371 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.535 7.890 -4.725 1.00 0.00 H new ATOM 0 HG CYS B 49 -5.287 7.639 -5.557 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.176 9.003 -0.827 1.00 0.00 N ATOM 1622 CA PRO B 50 -3.631 9.766 0.339 1.00 0.00 C ATOM 1623 C PRO B 50 -4.501 10.974 -0.039 1.00 0.00 C ATOM 1624 O PRO B 50 -5.408 11.339 0.713 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.367 10.152 1.116 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.230 9.965 0.110 1.00 0.00 C ATOM 1627 CD PRO B 50 -1.729 8.826 -0.777 1.00 0.00 C ATOM 0 HA PRO B 50 -4.293 9.163 0.961 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.418 11.181 1.471 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.230 9.519 1.992 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.049 10.873 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.293 9.709 0.605 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.289 8.878 -1.773 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.463 7.854 -0.361 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.289 11.532 -1.236 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.181 12.494 -1.863 1.00 0.00 C ATOM 1637 C TRP B 51 -6.606 11.941 -1.992 1.00 0.00 C ATOM 1638 O TRP B 51 -7.531 12.535 -1.435 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.610 12.911 -3.228 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.458 13.859 -4.021 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -6.344 14.741 -3.506 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.543 14.021 -5.471 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.997 15.399 -4.523 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.525 15.016 -5.761 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -4.894 13.419 -6.572 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -6.840 15.399 -7.073 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -5.199 13.799 -7.893 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -6.166 14.789 -8.144 1.00 0.00 C ATOM 0 H TRP B 51 -3.470 11.317 -1.804 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.247 13.377 -1.227 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.634 13.370 -3.069 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.446 12.013 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -6.514 14.905 -2.452 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -7.738 16.085 -4.379 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -4.151 12.654 -6.397 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.591 16.153 -7.257 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -4.687 13.327 -8.719 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -6.390 15.080 -9.160 1.00 0.00 H new ATOM 1659 N CYS B 52 -6.797 10.819 -2.703 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.122 10.241 -2.902 1.00 0.00 C ATOM 1661 C CYS B 52 -8.706 9.728 -1.596 1.00 0.00 C ATOM 1662 O CYS B 52 -9.915 9.789 -1.413 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.124 9.114 -3.942 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.851 7.454 -3.477 1.00 0.00 S ATOM 0 H CYS B 52 -6.043 10.297 -3.149 1.00 0.00 H new ATOM 0 HA CYS B 52 -8.747 11.050 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.089 9.148 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.367 9.365 -4.685 1.00 0.00 H new ATOM 0 HG CYS B 52 -7.429 6.779 -4.505 1.00 0.00 H new ATOM 1669 N ALA B 53 -7.858 9.241 -0.687 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.302 8.777 0.612 1.00 0.00 C ATOM 1671 C ALA B 53 -8.926 9.927 1.409 1.00 0.00 C ATOM 1672 O ALA B 53 -9.941 9.726 2.076 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.117 8.172 1.364 1.00 0.00 C ATOM 0 H ALA B 53 -6.852 9.161 -0.837 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.067 8.012 0.481 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.447 7.822 2.342 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.715 7.334 0.795 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.343 8.928 1.492 1.00 0.00 H new ATOM 1679 N THR B 54 -8.308 11.113 1.329 1.00 0.00 N ATOM 1680 CA THR B 54 -8.723 12.324 2.028 1.00 0.00 C ATOM 1681 C THR B 54 -9.919 12.986 1.332 1.00 0.00 C ATOM 1682 O THR B 54 -10.894 13.326 1.996 1.00 0.00 O ATOM 1683 CB THR B 54 -7.528 13.296 2.119 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.393 12.647 2.652 1.00 0.00 O ATOM 1685 CG2 THR B 54 -7.832 14.502 3.013 1.00 0.00 C ATOM 0 H THR B 54 -7.477 11.254 0.754 1.00 0.00 H new ATOM 0 HA THR B 54 -9.045 12.058 3.035 1.00 0.00 H new ATOM 0 HB THR B 54 -7.337 13.637 1.101 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.091 11.952 2.030 1.00 0.00 H new ATOM 0 HG21 THR B 54 -6.962 15.158 3.047 1.00 0.00 H new ATOM 0 HG22 THR B 54 -8.684 15.049 2.609 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.067 14.158 4.020 1.00 0.00 H new ATOM 1693 N ASN B 55 -9.826 13.237 0.017 1.00 0.00 N ATOM 1694 CA ASN B 55 -10.847 13.969 -0.746 1.00 0.00 C ATOM 1695 C ASN B 55 -12.077 13.096 -0.969 1.00 0.00 C ATOM 1696 O ASN B 55 -13.193 13.539 -0.707 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.294 14.424 -2.115 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.338 15.612 -2.060 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -9.171 16.336 -3.036 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.655 15.820 -0.943 1.00 0.00 N ATOM 0 H ASN B 55 -9.034 12.935 -0.550 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.125 14.848 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -9.779 13.583 -2.580 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.133 14.681 -2.762 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.985 16.587 -0.891 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.800 15.213 -0.136 1.00 0.00 H new ATOM 1707 N GLN B 56 -11.830 11.869 -1.436 1.00 0.00 N ATOM 1708 CA GLN B 56 -12.798 10.871 -1.876 1.00 0.00 C ATOM 1709 C GLN B 56 -13.926 11.500 -2.708 1.00 0.00 C ATOM 1710 O GLN B 56 -15.114 11.270 -2.378 1.00 0.00 O ATOM 1711 CB GLN B 56 -13.238 10.053 -0.651 1.00 0.00 C ATOM 1712 CG GLN B 56 -14.032 8.792 -1.025 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.360 8.748 -0.276 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.521 7.968 0.663 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.296 9.599 -0.659 1.00 0.00 N ATOM 0 H GLN B 56 -10.873 11.525 -1.521 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.350 10.165 -2.576 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -12.357 9.764 -0.078 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -13.848 10.681 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -14.214 8.777 -2.100 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -13.446 7.904 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -16.123 10.229 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.191 9.626 -0.171 1.00 0.00 H new