USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 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 15 THR OG1 : rot 180:sc= -2.37! USER MOD Set 1.2: A 18 GLN : amide:sc= -4.47! C(o=-6.8!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 0.164 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.949! C(o=-0.95!,f=-1.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A 27 GLN : amide:sc=-0.00182 X(o=-0.0018,f=-0.0018) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0774 K(o=-0.077,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0443) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.545) USER MOD Single : A 57 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.4!) USER MOD Single : A 61 LYS NZ :NH3+ 140:sc= -0.643 (180deg=-2.72!) USER MOD Single : A 65 SER OG : rot -55:sc= 0.0525 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.426 16.409 -19.947 1.00 0.00 N ATOM 2 CA GLY A 1 -7.690 16.443 -19.234 1.00 0.00 C ATOM 3 C GLY A 1 -7.713 15.495 -18.051 1.00 0.00 C ATOM 4 O GLY A 1 -8.488 14.538 -18.030 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.460 17.074 -20.746 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.657 16.682 -19.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.254 15.447 -20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.880 17.458 -18.886 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.497 16.184 -19.919 1.00 0.00 H new ATOM 8 N SER A 2 -6.861 15.758 -17.066 1.00 0.00 N ATOM 9 CA SER A 2 -6.783 14.917 -15.877 1.00 0.00 C ATOM 10 C SER A 2 -8.116 14.903 -15.134 1.00 0.00 C ATOM 11 O SER A 2 -8.595 13.849 -14.717 1.00 0.00 O ATOM 12 CB SER A 2 -5.673 15.412 -14.948 1.00 0.00 C ATOM 13 OG SER A 2 -4.433 14.805 -15.266 1.00 0.00 O ATOM 0 H SER A 2 -6.215 16.547 -17.067 1.00 0.00 H new ATOM 0 HA SER A 2 -6.553 13.900 -16.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.583 16.495 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.935 15.191 -13.913 1.00 0.00 H new ATOM 0 HG SER A 2 -3.740 15.139 -14.659 1.00 0.00 H new ATOM 19 N SER A 3 -8.709 16.081 -14.972 1.00 0.00 N ATOM 20 CA SER A 3 -9.984 16.206 -14.276 1.00 0.00 C ATOM 21 C SER A 3 -11.147 15.890 -15.212 1.00 0.00 C ATOM 22 O SER A 3 -12.091 15.197 -14.834 1.00 0.00 O ATOM 23 CB SER A 3 -10.142 17.618 -13.707 1.00 0.00 C ATOM 24 OG SER A 3 -11.280 17.704 -12.867 1.00 0.00 O ATOM 0 H SER A 3 -8.327 16.963 -15.313 1.00 0.00 H new ATOM 0 HA SER A 3 -9.994 15.488 -13.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.249 17.889 -13.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.233 18.334 -14.523 1.00 0.00 H new ATOM 0 HG SER A 3 -11.358 18.615 -12.515 1.00 0.00 H new ATOM 30 N GLY A 4 -11.070 16.403 -16.436 1.00 0.00 N ATOM 31 CA GLY A 4 -12.122 16.165 -17.407 1.00 0.00 C ATOM 32 C GLY A 4 -11.894 14.899 -18.210 1.00 0.00 C ATOM 33 O GLY A 4 -11.410 14.952 -19.340 1.00 0.00 O ATOM 0 H GLY A 4 -10.298 16.979 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.080 16.097 -16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.185 17.016 -18.086 1.00 0.00 H new ATOM 37 N SER A 5 -12.242 13.758 -17.624 1.00 0.00 N ATOM 38 CA SER A 5 -12.067 12.473 -18.289 1.00 0.00 C ATOM 39 C SER A 5 -13.415 11.804 -18.541 1.00 0.00 C ATOM 40 O SER A 5 -14.448 12.257 -18.047 1.00 0.00 O ATOM 41 CB SER A 5 -11.179 11.555 -17.448 1.00 0.00 C ATOM 42 OG SER A 5 -9.813 11.719 -17.784 1.00 0.00 O ATOM 0 H SER A 5 -12.647 13.698 -16.690 1.00 0.00 H new ATOM 0 HA SER A 5 -11.584 12.652 -19.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.325 11.772 -16.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.473 10.517 -17.604 1.00 0.00 H new ATOM 0 HG SER A 5 -9.599 12.674 -17.827 1.00 0.00 H new ATOM 48 N SER A 6 -13.397 10.723 -19.314 1.00 0.00 N ATOM 49 CA SER A 6 -14.618 9.993 -19.636 1.00 0.00 C ATOM 50 C SER A 6 -14.431 8.496 -19.410 1.00 0.00 C ATOM 51 O SER A 6 -13.482 7.894 -19.911 1.00 0.00 O ATOM 52 CB SER A 6 -15.026 10.254 -21.087 1.00 0.00 C ATOM 53 OG SER A 6 -15.783 11.446 -21.198 1.00 0.00 O ATOM 0 H SER A 6 -12.551 10.333 -19.729 1.00 0.00 H new ATOM 0 HA SER A 6 -15.409 10.347 -18.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.135 10.326 -21.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.610 9.413 -21.461 1.00 0.00 H new ATOM 0 HG SER A 6 -16.030 11.591 -22.135 1.00 0.00 H new ATOM 59 N GLY A 7 -15.345 7.900 -18.650 1.00 0.00 N ATOM 60 CA GLY A 7 -15.264 6.478 -18.369 1.00 0.00 C ATOM 61 C GLY A 7 -16.129 6.069 -17.193 1.00 0.00 C ATOM 62 O GLY A 7 -17.219 5.527 -17.375 1.00 0.00 O ATOM 0 H GLY A 7 -16.140 8.376 -18.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.570 5.918 -19.253 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.228 6.210 -18.164 1.00 0.00 H new ATOM 66 N ARG A 8 -15.641 6.327 -15.984 1.00 0.00 N ATOM 67 CA ARG A 8 -16.376 5.979 -14.774 1.00 0.00 C ATOM 68 C ARG A 8 -16.015 6.920 -13.629 1.00 0.00 C ATOM 69 O ARG A 8 -14.862 7.329 -13.488 1.00 0.00 O ATOM 70 CB ARG A 8 -16.082 4.533 -14.371 1.00 0.00 C ATOM 71 CG ARG A 8 -14.622 4.278 -14.037 1.00 0.00 C ATOM 72 CD ARG A 8 -13.790 4.074 -15.294 1.00 0.00 C ATOM 73 NE ARG A 8 -12.409 3.716 -14.984 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.520 3.354 -15.902 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.866 3.302 -17.181 1.00 0.00 N ATOM 76 NH2 ARG A 8 -10.281 3.042 -15.542 1.00 0.00 N ATOM 0 H ARG A 8 -14.740 6.776 -15.816 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.441 6.081 -14.984 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -16.694 4.274 -13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.381 3.871 -15.183 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.225 5.120 -13.469 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.542 3.397 -13.400 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.240 3.290 -15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.803 4.987 -15.889 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.111 3.745 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.817 3.540 -17.462 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.181 3.024 -17.884 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.011 3.080 -14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.599 2.764 -16.248 1.00 0.00 H new ATOM 90 N ARG A 9 -17.008 7.261 -12.813 1.00 0.00 N ATOM 91 CA ARG A 9 -16.795 8.155 -11.682 1.00 0.00 C ATOM 92 C ARG A 9 -16.385 7.371 -10.439 1.00 0.00 C ATOM 93 O ARG A 9 -17.214 6.722 -9.800 1.00 0.00 O ATOM 94 CB ARG A 9 -18.064 8.960 -11.395 1.00 0.00 C ATOM 95 CG ARG A 9 -18.163 10.247 -12.198 1.00 0.00 C ATOM 96 CD ARG A 9 -18.601 9.977 -13.630 1.00 0.00 C ATOM 97 NE ARG A 9 -17.510 9.451 -14.446 1.00 0.00 N ATOM 98 CZ ARG A 9 -16.513 10.197 -14.908 1.00 0.00 C ATOM 99 NH1 ARG A 9 -16.468 11.494 -14.635 1.00 0.00 N ATOM 100 NH2 ARG A 9 -15.556 9.645 -15.644 1.00 0.00 N ATOM 0 H ARG A 9 -17.968 6.931 -12.915 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.988 8.841 -11.940 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.934 8.340 -11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.099 9.201 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.873 10.922 -11.720 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.197 10.751 -12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -19.428 9.266 -13.628 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.974 10.899 -14.075 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.514 8.457 -14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.201 11.922 -14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.701 12.064 -14.991 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.586 8.648 -15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.791 10.218 -15.999 1.00 0.00 H new ATOM 114 N HIS A 10 -15.101 7.435 -10.101 1.00 0.00 N ATOM 115 CA HIS A 10 -14.581 6.731 -8.935 1.00 0.00 C ATOM 116 C HIS A 10 -14.328 7.700 -7.784 1.00 0.00 C ATOM 117 O HIS A 10 -13.401 8.509 -7.832 1.00 0.00 O ATOM 118 CB HIS A 10 -13.288 5.996 -9.290 1.00 0.00 C ATOM 119 CG HIS A 10 -12.097 6.897 -9.402 1.00 0.00 C ATOM 120 ND1 HIS A 10 -11.998 7.899 -10.344 1.00 0.00 N ATOM 121 CD2 HIS A 10 -10.952 6.945 -8.682 1.00 0.00 C ATOM 122 CE1 HIS A 10 -10.842 8.523 -10.200 1.00 0.00 C ATOM 123 NE2 HIS A 10 -10.189 7.963 -9.198 1.00 0.00 N ATOM 0 H HIS A 10 -14.402 7.967 -10.618 1.00 0.00 H new ATOM 0 HA HIS A 10 -15.328 6.004 -8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -13.090 5.239 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -13.426 5.471 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.688 6.302 -7.855 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.491 9.350 -10.800 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.267 8.242 -8.862 1.00 0.00 H new ATOM 132 N ARG A 11 -15.159 7.613 -6.750 1.00 0.00 N ATOM 133 CA ARG A 11 -15.026 8.483 -5.588 1.00 0.00 C ATOM 134 C ARG A 11 -14.184 7.818 -4.503 1.00 0.00 C ATOM 135 O ARG A 11 -13.114 8.309 -4.143 1.00 0.00 O ATOM 136 CB ARG A 11 -16.406 8.839 -5.031 1.00 0.00 C ATOM 137 CG ARG A 11 -16.399 10.054 -4.117 1.00 0.00 C ATOM 138 CD ARG A 11 -17.811 10.515 -3.793 1.00 0.00 C ATOM 139 NE ARG A 11 -17.833 11.871 -3.252 1.00 0.00 N ATOM 140 CZ ARG A 11 -18.899 12.415 -2.674 1.00 0.00 C ATOM 141 NH1 ARG A 11 -20.023 11.721 -2.564 1.00 0.00 N ATOM 142 NH2 ARG A 11 -18.841 13.655 -2.206 1.00 0.00 N ATOM 0 H ARG A 11 -15.931 6.949 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.522 9.396 -5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -17.087 9.024 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.798 7.983 -4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.873 9.813 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.850 10.866 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -18.422 10.475 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.260 9.830 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.984 12.432 -3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.071 10.768 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.840 12.140 -2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.978 14.192 -2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.660 14.072 -1.763 1.00 0.00 H new ATOM 156 N THR A 12 -14.675 6.696 -3.985 1.00 0.00 N ATOM 157 CA THR A 12 -13.970 5.964 -2.940 1.00 0.00 C ATOM 158 C THR A 12 -13.417 4.646 -3.471 1.00 0.00 C ATOM 159 O THR A 12 -14.169 3.786 -3.930 1.00 0.00 O ATOM 160 CB THR A 12 -14.889 5.675 -1.738 1.00 0.00 C ATOM 161 OG1 THR A 12 -15.390 6.903 -1.199 1.00 0.00 O ATOM 162 CG2 THR A 12 -14.141 4.908 -0.658 1.00 0.00 C ATOM 0 H THR A 12 -15.558 6.275 -4.272 1.00 0.00 H new ATOM 0 HA THR A 12 -13.145 6.596 -2.612 1.00 0.00 H new ATOM 0 HB THR A 12 -15.723 5.064 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.975 6.711 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.810 4.715 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.786 3.961 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.291 5.498 -0.316 1.00 0.00 H new ATOM 170 N ILE A 13 -12.098 4.494 -3.404 1.00 0.00 N ATOM 171 CA ILE A 13 -11.445 3.279 -3.876 1.00 0.00 C ATOM 172 C ILE A 13 -11.509 2.177 -2.824 1.00 0.00 C ATOM 173 O ILE A 13 -12.061 1.104 -3.067 1.00 0.00 O ATOM 174 CB ILE A 13 -9.973 3.539 -4.244 1.00 0.00 C ATOM 175 CG1 ILE A 13 -9.875 4.638 -5.304 1.00 0.00 C ATOM 176 CG2 ILE A 13 -9.317 2.258 -4.739 1.00 0.00 C ATOM 177 CD1 ILE A 13 -9.768 6.030 -4.723 1.00 0.00 C ATOM 0 H ILE A 13 -11.461 5.197 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.982 2.957 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.445 3.874 -3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.006 4.448 -5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.752 4.589 -5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.277 2.458 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.359 1.501 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.845 1.896 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.702 6.758 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.649 6.240 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.875 6.097 -4.101 1.00 0.00 H new ATOM 189 N PHE A 14 -10.941 2.450 -1.654 1.00 0.00 N ATOM 190 CA PHE A 14 -10.933 1.481 -0.564 1.00 0.00 C ATOM 191 C PHE A 14 -11.827 1.946 0.582 1.00 0.00 C ATOM 192 O PHE A 14 -12.186 3.120 0.669 1.00 0.00 O ATOM 193 CB PHE A 14 -9.506 1.265 -0.056 1.00 0.00 C ATOM 194 CG PHE A 14 -8.594 0.647 -1.078 1.00 0.00 C ATOM 195 CD1 PHE A 14 -8.787 -0.658 -1.500 1.00 0.00 C ATOM 196 CD2 PHE A 14 -7.542 1.372 -1.615 1.00 0.00 C ATOM 197 CE1 PHE A 14 -7.950 -1.229 -2.440 1.00 0.00 C ATOM 198 CE2 PHE A 14 -6.702 0.807 -2.556 1.00 0.00 C ATOM 199 CZ PHE A 14 -6.905 -0.495 -2.968 1.00 0.00 C ATOM 0 H PHE A 14 -10.480 3.334 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.322 0.537 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.091 2.223 0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.536 0.626 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.601 -1.236 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.377 2.390 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.112 -2.247 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.887 1.384 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.248 -0.939 -3.702 1.00 0.00 H new ATOM 209 N THR A 15 -12.184 1.014 1.461 1.00 0.00 N ATOM 210 CA THR A 15 -13.037 1.325 2.601 1.00 0.00 C ATOM 211 C THR A 15 -12.292 2.165 3.632 1.00 0.00 C ATOM 212 O THR A 15 -11.093 2.409 3.499 1.00 0.00 O ATOM 213 CB THR A 15 -13.559 0.044 3.278 1.00 0.00 C ATOM 214 OG1 THR A 15 -12.516 -0.934 3.347 1.00 0.00 O ATOM 215 CG2 THR A 15 -14.746 -0.525 2.517 1.00 0.00 C ATOM 0 H THR A 15 -11.895 0.037 1.405 1.00 0.00 H new ATOM 0 HA THR A 15 -13.884 1.894 2.217 1.00 0.00 H new ATOM 0 HB THR A 15 -13.883 0.299 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.856 -1.745 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 15 -15.097 -1.429 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.549 0.211 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.443 -0.765 1.498 1.00 0.00 H new ATOM 223 N ASP A 16 -13.010 2.604 4.661 1.00 0.00 N ATOM 224 CA ASP A 16 -12.415 3.415 5.717 1.00 0.00 C ATOM 225 C ASP A 16 -11.350 2.627 6.473 1.00 0.00 C ATOM 226 O ASP A 16 -10.246 3.120 6.701 1.00 0.00 O ATOM 227 CB ASP A 16 -13.495 3.898 6.687 1.00 0.00 C ATOM 228 CG ASP A 16 -14.294 5.060 6.131 1.00 0.00 C ATOM 229 OD1 ASP A 16 -13.712 6.150 5.952 1.00 0.00 O ATOM 230 OD2 ASP A 16 -15.503 4.879 5.875 1.00 0.00 O ATOM 0 H ASP A 16 -14.004 2.412 4.786 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.940 4.280 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.170 3.073 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -13.029 4.197 7.626 1.00 0.00 H new ATOM 235 N GLU A 17 -11.690 1.401 6.859 1.00 0.00 N ATOM 236 CA GLU A 17 -10.763 0.547 7.591 1.00 0.00 C ATOM 237 C GLU A 17 -9.503 0.284 6.771 1.00 0.00 C ATOM 238 O GLU A 17 -8.386 0.458 7.259 1.00 0.00 O ATOM 239 CB GLU A 17 -11.434 -0.779 7.954 1.00 0.00 C ATOM 240 CG GLU A 17 -12.070 -1.484 6.768 1.00 0.00 C ATOM 241 CD GLU A 17 -12.919 -2.671 7.181 1.00 0.00 C ATOM 242 OE1 GLU A 17 -12.357 -3.640 7.732 1.00 0.00 O ATOM 243 OE2 GLU A 17 -14.146 -2.630 6.952 1.00 0.00 O ATOM 0 H GLU A 17 -12.600 0.978 6.677 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.479 1.065 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.693 -1.440 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.198 -0.595 8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.688 -0.775 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.288 -1.821 6.088 1.00 0.00 H new ATOM 250 N GLN A 18 -9.692 -0.137 5.525 1.00 0.00 N ATOM 251 CA GLN A 18 -8.571 -0.425 4.638 1.00 0.00 C ATOM 252 C GLN A 18 -7.614 0.760 4.568 1.00 0.00 C ATOM 253 O GLN A 18 -6.405 0.607 4.747 1.00 0.00 O ATOM 254 CB GLN A 18 -9.077 -0.771 3.237 1.00 0.00 C ATOM 255 CG GLN A 18 -9.857 -2.075 3.176 1.00 0.00 C ATOM 256 CD GLN A 18 -10.665 -2.213 1.902 1.00 0.00 C ATOM 257 OE1 GLN A 18 -10.564 -1.385 0.996 1.00 0.00 O ATOM 258 NE2 GLN A 18 -11.474 -3.263 1.824 1.00 0.00 N ATOM 0 H GLN A 18 -10.610 -0.286 5.107 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.031 -1.281 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.712 0.039 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.227 -0.834 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.164 -2.912 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.526 -2.134 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.527 -3.925 2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.043 -3.408 0.990 1.00 0.00 H new ATOM 267 N LEU A 19 -8.162 1.942 4.305 1.00 0.00 N ATOM 268 CA LEU A 19 -7.356 3.154 4.210 1.00 0.00 C ATOM 269 C LEU A 19 -6.707 3.483 5.551 1.00 0.00 C ATOM 270 O LEU A 19 -5.501 3.716 5.626 1.00 0.00 O ATOM 271 CB LEU A 19 -8.220 4.329 3.747 1.00 0.00 C ATOM 272 CG LEU A 19 -8.544 4.376 2.253 1.00 0.00 C ATOM 273 CD1 LEU A 19 -9.568 5.462 1.963 1.00 0.00 C ATOM 274 CD2 LEU A 19 -7.278 4.603 1.440 1.00 0.00 C ATOM 0 H LEU A 19 -9.160 2.086 4.154 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.567 2.980 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.158 4.305 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.714 5.255 4.018 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.971 3.416 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.786 5.481 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.484 5.256 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.169 6.429 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.527 4.634 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.822 5.549 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.576 3.789 1.624 1.00 0.00 H new ATOM 286 N GLU A 20 -7.515 3.498 6.606 1.00 0.00 N ATOM 287 CA GLU A 20 -7.018 3.797 7.944 1.00 0.00 C ATOM 288 C GLU A 20 -5.820 2.917 8.289 1.00 0.00 C ATOM 289 O GLU A 20 -4.751 3.415 8.639 1.00 0.00 O ATOM 290 CB GLU A 20 -8.126 3.598 8.980 1.00 0.00 C ATOM 291 CG GLU A 20 -7.728 4.015 10.386 1.00 0.00 C ATOM 292 CD GLU A 20 -8.914 4.452 11.223 1.00 0.00 C ATOM 293 OE1 GLU A 20 -9.541 3.581 11.862 1.00 0.00 O ATOM 294 OE2 GLU A 20 -9.215 5.664 11.240 1.00 0.00 O ATOM 0 H GLU A 20 -8.516 3.307 6.560 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.698 4.839 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.003 4.169 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.417 2.548 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.227 3.182 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.008 4.831 10.329 1.00 0.00 H new ATOM 301 N ALA A 21 -6.009 1.605 8.187 1.00 0.00 N ATOM 302 CA ALA A 21 -4.945 0.655 8.486 1.00 0.00 C ATOM 303 C ALA A 21 -3.749 0.861 7.562 1.00 0.00 C ATOM 304 O ALA A 21 -2.642 1.152 8.017 1.00 0.00 O ATOM 305 CB ALA A 21 -5.463 -0.771 8.372 1.00 0.00 C ATOM 0 H ALA A 21 -6.889 1.176 7.900 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.614 0.829 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.658 -1.470 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.280 -0.919 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.823 -0.947 7.358 1.00 0.00 H new ATOM 311 N LEU A 22 -3.979 0.708 6.262 1.00 0.00 N ATOM 312 CA LEU A 22 -2.920 0.876 5.273 1.00 0.00 C ATOM 313 C LEU A 22 -2.084 2.115 5.576 1.00 0.00 C ATOM 314 O LEU A 22 -0.855 2.056 5.598 1.00 0.00 O ATOM 315 CB LEU A 22 -3.519 0.982 3.869 1.00 0.00 C ATOM 316 CG LEU A 22 -4.129 -0.300 3.302 1.00 0.00 C ATOM 317 CD1 LEU A 22 -4.939 0.002 2.051 1.00 0.00 C ATOM 318 CD2 LEU A 22 -3.042 -1.321 3.001 1.00 0.00 C ATOM 0 H LEU A 22 -4.889 0.468 5.869 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.271 0.002 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.290 1.753 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.739 1.322 3.188 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.799 -0.722 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.365 -0.922 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.742 0.697 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.291 0.448 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.495 -2.227 2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.347 -0.907 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.504 -1.561 3.918 1.00 0.00 H new ATOM 330 N GLU A 23 -2.759 3.236 5.812 1.00 0.00 N ATOM 331 CA GLU A 23 -2.077 4.488 6.115 1.00 0.00 C ATOM 332 C GLU A 23 -1.409 4.426 7.486 1.00 0.00 C ATOM 333 O GLU A 23 -0.313 4.951 7.678 1.00 0.00 O ATOM 334 CB GLU A 23 -3.065 5.656 6.071 1.00 0.00 C ATOM 335 CG GLU A 23 -3.211 6.278 4.692 1.00 0.00 C ATOM 336 CD GLU A 23 -4.352 7.273 4.618 1.00 0.00 C ATOM 337 OE1 GLU A 23 -4.349 8.238 5.411 1.00 0.00 O ATOM 338 OE2 GLU A 23 -5.248 7.087 3.769 1.00 0.00 O ATOM 0 H GLU A 23 -3.777 3.302 5.799 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.306 4.644 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.041 5.308 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.739 6.423 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.280 6.778 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.374 5.489 3.957 1.00 0.00 H new ATOM 345 N ASN A 24 -2.078 3.780 8.435 1.00 0.00 N ATOM 346 CA ASN A 24 -1.550 3.649 9.788 1.00 0.00 C ATOM 347 C ASN A 24 -0.273 2.814 9.795 1.00 0.00 C ATOM 348 O ASN A 24 0.618 3.029 10.620 1.00 0.00 O ATOM 349 CB ASN A 24 -2.594 3.011 10.706 1.00 0.00 C ATOM 350 CG ASN A 24 -3.663 3.996 11.139 1.00 0.00 C ATOM 351 OD1 ASN A 24 -3.508 5.207 10.979 1.00 0.00 O ATOM 352 ND2 ASN A 24 -4.754 3.480 11.692 1.00 0.00 N ATOM 0 H ASN A 24 -2.987 3.339 8.292 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.313 4.647 10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.063 2.173 10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.099 2.606 11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.507 4.094 12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.840 2.470 11.805 1.00 0.00 H new ATOM 359 N LEU A 25 -0.189 1.863 8.872 1.00 0.00 N ATOM 360 CA LEU A 25 0.980 0.996 8.770 1.00 0.00 C ATOM 361 C LEU A 25 2.068 1.646 7.922 1.00 0.00 C ATOM 362 O LEU A 25 3.240 1.655 8.298 1.00 0.00 O ATOM 363 CB LEU A 25 0.587 -0.354 8.169 1.00 0.00 C ATOM 364 CG LEU A 25 1.714 -1.378 8.023 1.00 0.00 C ATOM 365 CD1 LEU A 25 2.248 -1.782 9.388 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.229 -2.599 7.255 1.00 0.00 C ATOM 0 H LEU A 25 -0.917 1.672 8.183 1.00 0.00 H new ATOM 0 HA LEU A 25 1.374 0.839 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.196 -0.791 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.153 -0.178 7.185 1.00 0.00 H new ATOM 0 HG LEU A 25 2.526 -0.918 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.049 -2.511 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.634 -0.902 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.444 -2.223 9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.044 -3.317 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.399 -3.060 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.896 -2.296 6.262 1.00 0.00 H new ATOM 378 N PHE A 26 1.672 2.191 6.776 1.00 0.00 N ATOM 379 CA PHE A 26 2.613 2.844 5.874 1.00 0.00 C ATOM 380 C PHE A 26 3.285 4.032 6.557 1.00 0.00 C ATOM 381 O PHE A 26 4.473 4.283 6.359 1.00 0.00 O ATOM 382 CB PHE A 26 1.896 3.310 4.605 1.00 0.00 C ATOM 383 CG PHE A 26 2.744 4.182 3.724 1.00 0.00 C ATOM 384 CD1 PHE A 26 3.752 3.634 2.947 1.00 0.00 C ATOM 385 CD2 PHE A 26 2.532 5.551 3.672 1.00 0.00 C ATOM 386 CE1 PHE A 26 4.533 4.435 2.137 1.00 0.00 C ATOM 387 CE2 PHE A 26 3.310 6.357 2.863 1.00 0.00 C ATOM 388 CZ PHE A 26 4.312 5.798 2.093 1.00 0.00 C ATOM 0 H PHE A 26 0.705 2.193 6.450 1.00 0.00 H new ATOM 0 HA PHE A 26 3.381 2.120 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.575 2.437 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.996 3.857 4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.929 2.569 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.749 5.993 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.317 3.996 1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.135 7.422 2.833 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.921 6.425 1.458 1.00 0.00 H new ATOM 398 N GLN A 27 2.515 4.758 7.361 1.00 0.00 N ATOM 399 CA GLN A 27 3.035 5.920 8.072 1.00 0.00 C ATOM 400 C GLN A 27 4.156 5.517 9.026 1.00 0.00 C ATOM 401 O GLN A 27 5.268 6.037 8.945 1.00 0.00 O ATOM 402 CB GLN A 27 1.914 6.614 8.848 1.00 0.00 C ATOM 403 CG GLN A 27 1.048 7.518 7.986 1.00 0.00 C ATOM 404 CD GLN A 27 1.700 8.857 7.706 1.00 0.00 C ATOM 405 OE1 GLN A 27 1.834 9.694 8.599 1.00 0.00 O ATOM 406 NE2 GLN A 27 2.109 9.068 6.461 1.00 0.00 N ATOM 0 H GLN A 27 1.529 4.562 7.536 1.00 0.00 H new ATOM 0 HA GLN A 27 3.440 6.614 7.335 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.283 5.857 9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.352 7.204 9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.835 7.017 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.092 7.681 8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.978 8.347 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.554 9.952 6.213 1.00 0.00 H new ATOM 415 N GLU A 28 3.854 4.589 9.928 1.00 0.00 N ATOM 416 CA GLU A 28 4.836 4.119 10.898 1.00 0.00 C ATOM 417 C GLU A 28 6.025 3.469 10.196 1.00 0.00 C ATOM 418 O GLU A 28 7.180 3.741 10.525 1.00 0.00 O ATOM 419 CB GLU A 28 4.194 3.123 11.866 1.00 0.00 C ATOM 420 CG GLU A 28 3.571 1.920 11.177 1.00 0.00 C ATOM 421 CD GLU A 28 2.931 0.954 12.155 1.00 0.00 C ATOM 422 OE1 GLU A 28 3.640 0.052 12.649 1.00 0.00 O ATOM 423 OE2 GLU A 28 1.721 1.101 12.427 1.00 0.00 O ATOM 0 H GLU A 28 2.938 4.148 10.007 1.00 0.00 H new ATOM 0 HA GLU A 28 5.195 4.981 11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.949 2.776 12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.427 3.636 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.819 2.262 10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.337 1.397 10.604 1.00 0.00 H new ATOM 430 N THR A 29 5.733 2.606 9.228 1.00 0.00 N ATOM 431 CA THR A 29 6.777 1.915 8.480 1.00 0.00 C ATOM 432 C THR A 29 6.532 2.010 6.979 1.00 0.00 C ATOM 433 O THR A 29 5.422 1.769 6.503 1.00 0.00 O ATOM 434 CB THR A 29 6.865 0.430 8.881 1.00 0.00 C ATOM 435 OG1 THR A 29 7.982 -0.187 8.231 1.00 0.00 O ATOM 436 CG2 THR A 29 5.587 -0.307 8.513 1.00 0.00 C ATOM 0 H THR A 29 4.783 2.369 8.943 1.00 0.00 H new ATOM 0 HA THR A 29 7.719 2.407 8.723 1.00 0.00 H new ATOM 0 HB THR A 29 6.998 0.375 9.961 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.032 -1.130 8.492 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.673 -1.353 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.743 0.147 9.032 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.427 -0.244 7.437 1.00 0.00 H new ATOM 444 N LYS A 30 7.575 2.363 6.235 1.00 0.00 N ATOM 445 CA LYS A 30 7.475 2.488 4.786 1.00 0.00 C ATOM 446 C LYS A 30 7.250 1.127 4.136 1.00 0.00 C ATOM 447 O LYS A 30 6.452 0.996 3.208 1.00 0.00 O ATOM 448 CB LYS A 30 8.743 3.132 4.220 1.00 0.00 C ATOM 449 CG LYS A 30 8.906 4.593 4.602 1.00 0.00 C ATOM 450 CD LYS A 30 7.870 5.468 3.916 1.00 0.00 C ATOM 451 CE LYS A 30 7.979 6.917 4.365 1.00 0.00 C ATOM 452 NZ LYS A 30 7.167 7.181 5.586 1.00 0.00 N ATOM 0 H LYS A 30 8.500 2.568 6.612 1.00 0.00 H new ATOM 0 HA LYS A 30 6.619 3.124 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.611 2.574 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.729 3.049 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.815 4.700 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.906 4.931 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.001 5.410 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.871 5.092 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.023 7.158 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.648 7.573 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.267 8.179 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.167 6.975 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.499 6.573 6.362 1.00 0.00 H new ATOM 466 N TYR A 31 7.957 0.117 4.631 1.00 0.00 N ATOM 467 CA TYR A 31 7.835 -1.235 4.097 1.00 0.00 C ATOM 468 C TYR A 31 7.678 -2.253 5.223 1.00 0.00 C ATOM 469 O TYR A 31 8.641 -2.633 5.890 1.00 0.00 O ATOM 470 CB TYR A 31 9.058 -1.583 3.247 1.00 0.00 C ATOM 471 CG TYR A 31 9.177 -0.751 1.990 1.00 0.00 C ATOM 472 CD1 TYR A 31 9.702 0.535 2.031 1.00 0.00 C ATOM 473 CD2 TYR A 31 8.766 -1.251 0.761 1.00 0.00 C ATOM 474 CE1 TYR A 31 9.813 1.299 0.886 1.00 0.00 C ATOM 475 CE2 TYR A 31 8.874 -0.495 -0.391 1.00 0.00 C ATOM 476 CZ TYR A 31 9.398 0.779 -0.323 1.00 0.00 C ATOM 477 OH TYR A 31 9.507 1.536 -1.467 1.00 0.00 O ATOM 0 H TYR A 31 8.620 0.209 5.401 1.00 0.00 H new ATOM 0 HA TYR A 31 6.944 -1.272 3.471 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.958 -1.450 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.011 -2.637 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.029 0.944 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.355 -2.248 0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.222 2.297 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.550 -0.899 -1.339 1.00 0.00 H new ATOM 0 HH TYR A 31 9.172 1.023 -2.232 1.00 0.00 H new ATOM 487 N PRO A 32 6.434 -2.706 5.441 1.00 0.00 N ATOM 488 CA PRO A 32 6.121 -3.687 6.484 1.00 0.00 C ATOM 489 C PRO A 32 6.675 -5.071 6.164 1.00 0.00 C ATOM 490 O PRO A 32 7.207 -5.301 5.078 1.00 0.00 O ATOM 491 CB PRO A 32 4.590 -3.713 6.497 1.00 0.00 C ATOM 492 CG PRO A 32 4.192 -3.280 5.128 1.00 0.00 C ATOM 493 CD PRO A 32 5.239 -2.296 4.684 1.00 0.00 C ATOM 0 HA PRO A 32 6.565 -3.419 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.213 -4.711 6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.189 -3.042 7.257 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.143 -4.131 4.448 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.203 -2.821 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.408 -2.346 3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.950 -1.270 4.914 1.00 0.00 H new ATOM 501 N ASP A 33 6.546 -5.989 7.115 1.00 0.00 N ATOM 502 CA ASP A 33 7.032 -7.352 6.934 1.00 0.00 C ATOM 503 C ASP A 33 5.890 -8.291 6.560 1.00 0.00 C ATOM 504 O ASP A 33 4.733 -8.048 6.906 1.00 0.00 O ATOM 505 CB ASP A 33 7.718 -7.845 8.208 1.00 0.00 C ATOM 506 CG ASP A 33 8.854 -6.939 8.642 1.00 0.00 C ATOM 507 OD1 ASP A 33 9.980 -7.111 8.128 1.00 0.00 O ATOM 508 OD2 ASP A 33 8.618 -6.058 9.495 1.00 0.00 O ATOM 0 H ASP A 33 6.109 -5.814 8.020 1.00 0.00 H new ATOM 0 HA ASP A 33 7.756 -7.348 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.983 -7.911 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.102 -8.852 8.044 1.00 0.00 H new ATOM 513 N VAL A 34 6.222 -9.366 5.851 1.00 0.00 N ATOM 514 CA VAL A 34 5.224 -10.342 5.430 1.00 0.00 C ATOM 515 C VAL A 34 4.272 -10.681 6.572 1.00 0.00 C ATOM 516 O VAL A 34 3.059 -10.764 6.379 1.00 0.00 O ATOM 517 CB VAL A 34 5.885 -11.638 4.926 1.00 0.00 C ATOM 518 CG1 VAL A 34 6.748 -12.257 6.015 1.00 0.00 C ATOM 519 CG2 VAL A 34 4.829 -12.623 4.447 1.00 0.00 C ATOM 0 H VAL A 34 7.174 -9.583 5.556 1.00 0.00 H new ATOM 0 HA VAL A 34 4.662 -9.889 4.614 1.00 0.00 H new ATOM 0 HB VAL A 34 6.529 -11.392 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.207 -13.172 5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.528 -11.553 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.129 -12.490 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.314 -13.533 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.157 -12.865 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.258 -12.177 3.633 1.00 0.00 H new ATOM 529 N GLY A 35 4.830 -10.877 7.763 1.00 0.00 N ATOM 530 CA GLY A 35 4.015 -11.205 8.918 1.00 0.00 C ATOM 531 C GLY A 35 2.960 -10.155 9.201 1.00 0.00 C ATOM 532 O GLY A 35 1.799 -10.481 9.452 1.00 0.00 O ATOM 0 H GLY A 35 5.831 -10.815 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.530 -12.168 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.657 -11.315 9.792 1.00 0.00 H new ATOM 536 N THR A 36 3.363 -8.888 9.163 1.00 0.00 N ATOM 537 CA THR A 36 2.444 -7.786 9.420 1.00 0.00 C ATOM 538 C THR A 36 1.457 -7.614 8.271 1.00 0.00 C ATOM 539 O THR A 36 0.257 -7.448 8.491 1.00 0.00 O ATOM 540 CB THR A 36 3.202 -6.462 9.634 1.00 0.00 C ATOM 541 OG1 THR A 36 4.195 -6.625 10.653 1.00 0.00 O ATOM 542 CG2 THR A 36 2.243 -5.348 10.026 1.00 0.00 C ATOM 0 H THR A 36 4.320 -8.600 8.957 1.00 0.00 H new ATOM 0 HA THR A 36 1.898 -8.035 10.330 1.00 0.00 H new ATOM 0 HB THR A 36 3.687 -6.190 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.673 -5.779 10.782 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.800 -4.423 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.506 -5.207 9.235 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.734 -5.615 10.952 1.00 0.00 H new ATOM 550 N ARG A 37 1.970 -7.655 7.046 1.00 0.00 N ATOM 551 CA ARG A 37 1.132 -7.503 5.862 1.00 0.00 C ATOM 552 C ARG A 37 0.060 -8.587 5.811 1.00 0.00 C ATOM 553 O ARG A 37 -1.111 -8.304 5.560 1.00 0.00 O ATOM 554 CB ARG A 37 1.988 -7.557 4.595 1.00 0.00 C ATOM 555 CG ARG A 37 3.162 -6.592 4.611 1.00 0.00 C ATOM 556 CD ARG A 37 3.536 -6.145 3.207 1.00 0.00 C ATOM 557 NE ARG A 37 4.957 -5.830 3.092 1.00 0.00 N ATOM 558 CZ ARG A 37 5.456 -5.008 2.176 1.00 0.00 C ATOM 559 NH1 ARG A 37 4.653 -4.423 1.298 1.00 0.00 N ATOM 560 NH2 ARG A 37 6.761 -4.771 2.135 1.00 0.00 N ATOM 0 H ARG A 37 2.961 -7.792 6.847 1.00 0.00 H new ATOM 0 HA ARG A 37 0.640 -6.532 5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.364 -8.572 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.359 -7.337 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.910 -5.721 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.021 -7.070 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.281 -6.931 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.948 -5.268 2.937 1.00 0.00 H new ATOM 0 HE ARG A 37 5.602 -6.265 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.650 -4.604 1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.039 -3.792 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.382 -5.220 2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.143 -4.139 1.431 1.00 0.00 H new ATOM 574 N GLU A 38 0.470 -9.829 6.052 1.00 0.00 N ATOM 575 CA GLU A 38 -0.456 -10.956 6.032 1.00 0.00 C ATOM 576 C GLU A 38 -1.640 -10.703 6.961 1.00 0.00 C ATOM 577 O GLU A 38 -2.795 -10.875 6.571 1.00 0.00 O ATOM 578 CB GLU A 38 0.263 -12.242 6.442 1.00 0.00 C ATOM 579 CG GLU A 38 0.939 -12.958 5.285 1.00 0.00 C ATOM 580 CD GLU A 38 -0.055 -13.552 4.306 1.00 0.00 C ATOM 581 OE1 GLU A 38 -0.851 -14.419 4.723 1.00 0.00 O ATOM 582 OE2 GLU A 38 -0.037 -13.151 3.124 1.00 0.00 O ATOM 0 H GLU A 38 1.436 -10.080 6.263 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.832 -11.067 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.011 -12.004 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.456 -12.918 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.588 -12.258 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.576 -13.751 5.676 1.00 0.00 H new ATOM 589 N GLN A 39 -1.343 -10.294 8.190 1.00 0.00 N ATOM 590 CA GLN A 39 -2.383 -10.020 9.175 1.00 0.00 C ATOM 591 C GLN A 39 -3.228 -8.822 8.754 1.00 0.00 C ATOM 592 O GLN A 39 -4.458 -8.891 8.738 1.00 0.00 O ATOM 593 CB GLN A 39 -1.760 -9.762 10.548 1.00 0.00 C ATOM 594 CG GLN A 39 -1.571 -11.023 11.376 1.00 0.00 C ATOM 595 CD GLN A 39 -1.425 -10.732 12.857 1.00 0.00 C ATOM 596 OE1 GLN A 39 -1.809 -9.663 13.332 1.00 0.00 O ATOM 597 NE2 GLN A 39 -0.867 -11.684 13.595 1.00 0.00 N ATOM 0 H GLN A 39 -0.392 -10.145 8.527 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.030 -10.895 9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.793 -9.277 10.414 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.392 -9.066 11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.423 -11.685 11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.686 -11.554 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.563 -12.555 13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.742 -11.545 14.598 1.00 0.00 H new ATOM 606 N LEU A 40 -2.562 -7.724 8.414 1.00 0.00 N ATOM 607 CA LEU A 40 -3.252 -6.510 7.993 1.00 0.00 C ATOM 608 C LEU A 40 -4.300 -6.819 6.929 1.00 0.00 C ATOM 609 O LEU A 40 -5.432 -6.345 7.003 1.00 0.00 O ATOM 610 CB LEU A 40 -2.247 -5.490 7.454 1.00 0.00 C ATOM 611 CG LEU A 40 -2.801 -4.097 7.153 1.00 0.00 C ATOM 612 CD1 LEU A 40 -2.697 -3.204 8.379 1.00 0.00 C ATOM 613 CD2 LEU A 40 -2.067 -3.475 5.974 1.00 0.00 C ATOM 0 H LEU A 40 -1.545 -7.650 8.422 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.758 -6.089 8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.438 -5.389 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.808 -5.890 6.540 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.854 -4.195 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.096 -2.217 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.268 -3.642 9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.652 -3.112 8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.474 -2.484 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.006 -3.391 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.194 -4.104 5.093 1.00 0.00 H new ATOM 625 N ALA A 41 -3.914 -7.621 5.942 1.00 0.00 N ATOM 626 CA ALA A 41 -4.821 -7.998 4.865 1.00 0.00 C ATOM 627 C ALA A 41 -6.149 -8.503 5.418 1.00 0.00 C ATOM 628 O ALA A 41 -7.188 -7.866 5.245 1.00 0.00 O ATOM 629 CB ALA A 41 -4.179 -9.055 3.980 1.00 0.00 C ATOM 0 H ALA A 41 -2.979 -8.022 5.866 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.021 -7.111 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.868 -9.327 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.260 -8.659 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.949 -9.938 4.576 1.00 0.00 H new ATOM 635 N ARG A 42 -6.108 -9.653 6.083 1.00 0.00 N ATOM 636 CA ARG A 42 -7.309 -10.245 6.660 1.00 0.00 C ATOM 637 C ARG A 42 -8.018 -9.253 7.578 1.00 0.00 C ATOM 638 O ARG A 42 -9.241 -9.279 7.711 1.00 0.00 O ATOM 639 CB ARG A 42 -6.955 -11.513 7.439 1.00 0.00 C ATOM 640 CG ARG A 42 -6.935 -12.769 6.582 1.00 0.00 C ATOM 641 CD ARG A 42 -8.331 -13.348 6.409 1.00 0.00 C ATOM 642 NE ARG A 42 -8.753 -14.116 7.578 1.00 0.00 N ATOM 643 CZ ARG A 42 -8.412 -15.382 7.787 1.00 0.00 C ATOM 644 NH1 ARG A 42 -7.647 -16.020 6.912 1.00 0.00 N ATOM 645 NH2 ARG A 42 -8.835 -16.013 8.875 1.00 0.00 N ATOM 0 H ARG A 42 -5.256 -10.193 6.236 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.983 -10.504 5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.977 -11.384 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.675 -11.646 8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.512 -12.537 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.285 -13.514 7.041 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.040 -12.539 6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.351 -13.989 5.527 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.342 -13.654 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.319 -15.538 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.387 -16.993 7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.423 -15.525 9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.573 -16.986 9.035 1.00 0.00 H new ATOM 659 N LYS A 43 -7.240 -8.380 8.209 1.00 0.00 N ATOM 660 CA LYS A 43 -7.791 -7.379 9.114 1.00 0.00 C ATOM 661 C LYS A 43 -8.635 -6.362 8.351 1.00 0.00 C ATOM 662 O LYS A 43 -9.684 -5.929 8.828 1.00 0.00 O ATOM 663 CB LYS A 43 -6.665 -6.663 9.863 1.00 0.00 C ATOM 664 CG LYS A 43 -7.130 -5.442 10.638 1.00 0.00 C ATOM 665 CD LYS A 43 -5.994 -4.457 10.860 1.00 0.00 C ATOM 666 CE LYS A 43 -5.044 -4.937 11.947 1.00 0.00 C ATOM 667 NZ LYS A 43 -5.630 -4.775 13.306 1.00 0.00 N ATOM 0 H LYS A 43 -6.225 -8.346 8.110 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.431 -7.889 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.196 -7.364 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.900 -6.360 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.938 -4.951 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.536 -5.754 11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.444 -4.319 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.403 -3.485 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.800 -5.986 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.110 -4.379 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.902 -4.968 14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.979 -3.802 13.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.419 -5.442 13.426 1.00 0.00 H new ATOM 681 N VAL A 44 -8.171 -5.986 7.164 1.00 0.00 N ATOM 682 CA VAL A 44 -8.884 -5.022 6.334 1.00 0.00 C ATOM 683 C VAL A 44 -9.684 -5.724 5.242 1.00 0.00 C ATOM 684 O VAL A 44 -10.209 -5.081 4.332 1.00 0.00 O ATOM 685 CB VAL A 44 -7.916 -4.018 5.682 1.00 0.00 C ATOM 686 CG1 VAL A 44 -7.152 -3.245 6.745 1.00 0.00 C ATOM 687 CG2 VAL A 44 -6.959 -4.735 4.741 1.00 0.00 C ATOM 0 H VAL A 44 -7.304 -6.334 6.755 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.566 -4.482 6.990 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.498 -3.306 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.473 -2.540 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.855 -2.700 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.579 -3.940 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.282 -4.010 4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.382 -5.471 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.527 -5.238 3.958 1.00 0.00 H new ATOM 697 N HIS A 45 -9.775 -7.046 5.339 1.00 0.00 N ATOM 698 CA HIS A 45 -10.512 -7.836 4.359 1.00 0.00 C ATOM 699 C HIS A 45 -9.928 -7.652 2.962 1.00 0.00 C ATOM 700 O HIS A 45 -10.659 -7.427 1.996 1.00 0.00 O ATOM 701 CB HIS A 45 -11.989 -7.441 4.362 1.00 0.00 C ATOM 702 CG HIS A 45 -12.715 -7.848 5.608 1.00 0.00 C ATOM 703 ND1 HIS A 45 -13.545 -8.947 5.671 1.00 0.00 N ATOM 704 CD2 HIS A 45 -12.730 -7.296 6.844 1.00 0.00 C ATOM 705 CE1 HIS A 45 -14.041 -9.053 6.890 1.00 0.00 C ATOM 706 NE2 HIS A 45 -13.562 -8.063 7.622 1.00 0.00 N ATOM 0 H HIS A 45 -9.348 -7.593 6.086 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.423 -8.887 4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.068 -6.361 4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.480 -7.894 3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.189 -6.416 7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -14.722 -9.819 7.231 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -13.775 -7.896 8.605 1.00 0.00 H new ATOM 715 N LEU A 46 -8.607 -7.748 2.861 1.00 0.00 N ATOM 716 CA LEU A 46 -7.923 -7.591 1.582 1.00 0.00 C ATOM 717 C LEU A 46 -6.841 -8.652 1.409 1.00 0.00 C ATOM 718 O LEU A 46 -6.539 -9.401 2.338 1.00 0.00 O ATOM 719 CB LEU A 46 -7.306 -6.196 1.479 1.00 0.00 C ATOM 720 CG LEU A 46 -8.287 -5.023 1.512 1.00 0.00 C ATOM 721 CD1 LEU A 46 -7.538 -3.700 1.540 1.00 0.00 C ATOM 722 CD2 LEU A 46 -9.228 -5.081 0.317 1.00 0.00 C ATOM 0 H LEU A 46 -7.988 -7.934 3.650 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.659 -7.716 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.597 -6.073 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.736 -6.141 0.552 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.882 -5.098 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.253 -2.878 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.907 -3.658 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.916 -3.615 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.919 -4.239 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.649 -5.032 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.791 -6.014 0.342 1.00 0.00 H new ATOM 734 N ARG A 47 -6.260 -8.709 0.215 1.00 0.00 N ATOM 735 CA ARG A 47 -5.211 -9.678 -0.079 1.00 0.00 C ATOM 736 C ARG A 47 -3.831 -9.071 0.154 1.00 0.00 C ATOM 737 O ARG A 47 -3.564 -7.940 -0.250 1.00 0.00 O ATOM 738 CB ARG A 47 -5.329 -10.166 -1.524 1.00 0.00 C ATOM 739 CG ARG A 47 -6.591 -10.967 -1.795 1.00 0.00 C ATOM 740 CD ARG A 47 -6.936 -10.979 -3.276 1.00 0.00 C ATOM 741 NE ARG A 47 -8.228 -11.609 -3.533 1.00 0.00 N ATOM 742 CZ ARG A 47 -8.781 -11.688 -4.738 1.00 0.00 C ATOM 743 NH1 ARG A 47 -8.158 -11.180 -5.792 1.00 0.00 N ATOM 744 NH2 ARG A 47 -9.960 -12.277 -4.891 1.00 0.00 N ATOM 0 H ARG A 47 -6.498 -8.096 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.334 -10.526 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.305 -9.305 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.461 -10.780 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.457 -11.990 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.421 -10.542 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.950 -9.956 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.158 -11.510 -3.825 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.734 -12.011 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.251 -10.727 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.585 -11.242 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.443 -12.670 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.384 -12.337 -5.817 1.00 0.00 H new ATOM 758 N GLU A 48 -2.958 -9.831 0.808 1.00 0.00 N ATOM 759 CA GLU A 48 -1.606 -9.367 1.095 1.00 0.00 C ATOM 760 C GLU A 48 -1.004 -8.662 -0.118 1.00 0.00 C ATOM 761 O GLU A 48 -0.435 -7.578 0.002 1.00 0.00 O ATOM 762 CB GLU A 48 -0.717 -10.541 1.510 1.00 0.00 C ATOM 763 CG GLU A 48 0.398 -10.152 2.466 1.00 0.00 C ATOM 764 CD GLU A 48 1.661 -9.721 1.745 1.00 0.00 C ATOM 765 OE1 GLU A 48 1.568 -8.854 0.852 1.00 0.00 O ATOM 766 OE2 GLU A 48 2.742 -10.252 2.075 1.00 0.00 O ATOM 0 H GLU A 48 -3.163 -10.770 1.149 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.661 -8.654 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.336 -11.306 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.279 -10.988 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.055 -9.340 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.625 -10.997 3.116 1.00 0.00 H new ATOM 773 N GLU A 49 -1.133 -9.289 -1.283 1.00 0.00 N ATOM 774 CA GLU A 49 -0.600 -8.723 -2.517 1.00 0.00 C ATOM 775 C GLU A 49 -1.063 -7.280 -2.697 1.00 0.00 C ATOM 776 O GLU A 49 -0.260 -6.389 -2.977 1.00 0.00 O ATOM 777 CB GLU A 49 -1.034 -9.563 -3.719 1.00 0.00 C ATOM 778 CG GLU A 49 -2.540 -9.734 -3.830 1.00 0.00 C ATOM 779 CD GLU A 49 -2.932 -11.040 -4.494 1.00 0.00 C ATOM 780 OE1 GLU A 49 -2.180 -11.508 -5.374 1.00 0.00 O ATOM 781 OE2 GLU A 49 -3.991 -11.595 -4.132 1.00 0.00 O ATOM 0 H GLU A 49 -1.601 -10.188 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 49 0.488 -8.732 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.662 -9.097 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.569 -10.547 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.981 -9.690 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.955 -8.902 -4.399 1.00 0.00 H new ATOM 788 N LYS A 50 -2.362 -7.057 -2.537 1.00 0.00 N ATOM 789 CA LYS A 50 -2.934 -5.723 -2.681 1.00 0.00 C ATOM 790 C LYS A 50 -2.315 -4.755 -1.679 1.00 0.00 C ATOM 791 O LYS A 50 -1.984 -3.619 -2.020 1.00 0.00 O ATOM 792 CB LYS A 50 -4.452 -5.773 -2.488 1.00 0.00 C ATOM 793 CG LYS A 50 -5.174 -6.582 -3.551 1.00 0.00 C ATOM 794 CD LYS A 50 -5.573 -5.718 -4.735 1.00 0.00 C ATOM 795 CE LYS A 50 -5.919 -6.563 -5.951 1.00 0.00 C ATOM 796 NZ LYS A 50 -6.342 -5.725 -7.107 1.00 0.00 N ATOM 0 H LYS A 50 -3.040 -7.783 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.713 -5.367 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.671 -6.198 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.844 -4.756 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.530 -7.393 -3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.063 -7.041 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.430 -5.101 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.757 -5.039 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.054 -7.163 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.719 -7.258 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.569 -6.338 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.183 -5.171 -6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.570 -5.079 -7.369 1.00 0.00 H new ATOM 810 N VAL A 51 -2.159 -5.211 -0.440 1.00 0.00 N ATOM 811 CA VAL A 51 -1.577 -4.385 0.612 1.00 0.00 C ATOM 812 C VAL A 51 -0.262 -3.763 0.157 1.00 0.00 C ATOM 813 O VAL A 51 -0.041 -2.564 0.325 1.00 0.00 O ATOM 814 CB VAL A 51 -1.330 -5.202 1.894 1.00 0.00 C ATOM 815 CG1 VAL A 51 -0.589 -4.365 2.926 1.00 0.00 C ATOM 816 CG2 VAL A 51 -2.645 -5.718 2.458 1.00 0.00 C ATOM 0 H VAL A 51 -2.428 -6.148 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.295 -3.593 0.827 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.707 -6.061 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.423 -4.959 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.371 -4.050 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.183 -3.486 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.452 -6.293 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.295 -4.876 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.132 -6.356 1.720 1.00 0.00 H new ATOM 826 N GLU A 52 0.608 -4.587 -0.421 1.00 0.00 N ATOM 827 CA GLU A 52 1.902 -4.116 -0.900 1.00 0.00 C ATOM 828 C GLU A 52 1.729 -3.039 -1.967 1.00 0.00 C ATOM 829 O GLU A 52 2.433 -2.030 -1.967 1.00 0.00 O ATOM 830 CB GLU A 52 2.717 -5.282 -1.464 1.00 0.00 C ATOM 831 CG GLU A 52 4.059 -4.864 -2.039 1.00 0.00 C ATOM 832 CD GLU A 52 4.732 -5.978 -2.819 1.00 0.00 C ATOM 833 OE1 GLU A 52 4.095 -6.521 -3.746 1.00 0.00 O ATOM 834 OE2 GLU A 52 5.894 -6.306 -2.502 1.00 0.00 O ATOM 0 H GLU A 52 0.440 -5.582 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 52 2.437 -3.683 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.882 -6.015 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.136 -5.777 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.918 -4.002 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.714 -4.546 -1.228 1.00 0.00 H new ATOM 841 N VAL A 53 0.785 -3.262 -2.876 1.00 0.00 N ATOM 842 CA VAL A 53 0.518 -2.312 -3.949 1.00 0.00 C ATOM 843 C VAL A 53 0.214 -0.926 -3.393 1.00 0.00 C ATOM 844 O VAL A 53 0.913 0.042 -3.694 1.00 0.00 O ATOM 845 CB VAL A 53 -0.664 -2.772 -4.825 1.00 0.00 C ATOM 846 CG1 VAL A 53 -0.943 -1.755 -5.921 1.00 0.00 C ATOM 847 CG2 VAL A 53 -0.385 -4.145 -5.417 1.00 0.00 C ATOM 0 H VAL A 53 0.193 -4.092 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 53 1.418 -2.265 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.552 -2.847 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.780 -2.096 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.190 -0.793 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.059 -1.645 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.230 -4.454 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.514 -4.101 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.239 -4.866 -4.612 1.00 0.00 H new ATOM 857 N TRP A 54 -0.832 -0.837 -2.579 1.00 0.00 N ATOM 858 CA TRP A 54 -1.228 0.432 -1.979 1.00 0.00 C ATOM 859 C TRP A 54 -0.008 1.216 -1.508 1.00 0.00 C ATOM 860 O TRP A 54 0.105 2.416 -1.757 1.00 0.00 O ATOM 861 CB TRP A 54 -2.178 0.190 -0.805 1.00 0.00 C ATOM 862 CG TRP A 54 -2.784 1.449 -0.262 1.00 0.00 C ATOM 863 CD1 TRP A 54 -3.972 2.013 -0.631 1.00 0.00 C ATOM 864 CD2 TRP A 54 -2.230 2.301 0.746 1.00 0.00 C ATOM 865 NE1 TRP A 54 -4.189 3.164 0.087 1.00 0.00 N ATOM 866 CE2 TRP A 54 -3.136 3.362 0.939 1.00 0.00 C ATOM 867 CE3 TRP A 54 -1.057 2.269 1.506 1.00 0.00 C ATOM 868 CZ2 TRP A 54 -2.903 4.381 1.860 1.00 0.00 C ATOM 869 CZ3 TRP A 54 -0.828 3.281 2.419 1.00 0.00 C ATOM 870 CH2 TRP A 54 -1.747 4.325 2.590 1.00 0.00 C ATOM 0 H TRP A 54 -1.421 -1.628 -2.319 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.743 1.020 -2.739 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.976 -0.480 -1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -1.636 -0.317 -0.007 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.642 1.613 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.003 3.772 -0.001 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.343 1.468 1.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.610 5.187 1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.075 3.267 3.011 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.539 5.101 3.312 1.00 0.00 H new ATOM 881 N PHE A 55 0.904 0.530 -0.826 1.00 0.00 N ATOM 882 CA PHE A 55 2.116 1.163 -0.319 1.00 0.00 C ATOM 883 C PHE A 55 2.948 1.737 -1.462 1.00 0.00 C ATOM 884 O PHE A 55 3.382 2.888 -1.413 1.00 0.00 O ATOM 885 CB PHE A 55 2.948 0.156 0.477 1.00 0.00 C ATOM 886 CG PHE A 55 2.466 -0.039 1.886 1.00 0.00 C ATOM 887 CD1 PHE A 55 1.168 -0.455 2.137 1.00 0.00 C ATOM 888 CD2 PHE A 55 3.311 0.194 2.959 1.00 0.00 C ATOM 889 CE1 PHE A 55 0.722 -0.635 3.433 1.00 0.00 C ATOM 890 CE2 PHE A 55 2.870 0.015 4.257 1.00 0.00 C ATOM 891 CZ PHE A 55 1.574 -0.399 4.494 1.00 0.00 C ATOM 0 H PHE A 55 0.826 -0.464 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 55 1.821 1.981 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.934 -0.804 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.985 0.491 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.498 -0.641 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.325 0.519 2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.292 -0.960 3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.539 0.199 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.227 -0.538 5.507 1.00 0.00 H new ATOM 901 N LYS A 56 3.167 0.926 -2.492 1.00 0.00 N ATOM 902 CA LYS A 56 3.947 1.351 -3.648 1.00 0.00 C ATOM 903 C LYS A 56 3.338 2.595 -4.287 1.00 0.00 C ATOM 904 O LYS A 56 4.020 3.599 -4.484 1.00 0.00 O ATOM 905 CB LYS A 56 4.025 0.222 -4.679 1.00 0.00 C ATOM 906 CG LYS A 56 4.920 -0.929 -4.253 1.00 0.00 C ATOM 907 CD LYS A 56 4.484 -2.239 -4.889 1.00 0.00 C ATOM 908 CE LYS A 56 5.124 -2.435 -6.255 1.00 0.00 C ATOM 909 NZ LYS A 56 4.437 -1.638 -7.309 1.00 0.00 N ATOM 0 H LYS A 56 2.815 -0.030 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 56 4.953 1.594 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.021 -0.159 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.392 0.627 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.951 -0.713 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.898 -1.025 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.755 -3.069 -4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.399 -2.253 -4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.174 -2.147 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.095 -3.491 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.603 -2.075 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.415 -1.614 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.812 -0.668 -7.311 1.00 0.00 H new ATOM 923 N ASN A 57 2.050 2.521 -4.607 1.00 0.00 N ATOM 924 CA ASN A 57 1.350 3.642 -5.223 1.00 0.00 C ATOM 925 C ASN A 57 1.379 4.867 -4.314 1.00 0.00 C ATOM 926 O ASN A 57 1.640 5.982 -4.765 1.00 0.00 O ATOM 927 CB ASN A 57 -0.098 3.258 -5.533 1.00 0.00 C ATOM 928 CG ASN A 57 -0.223 2.470 -6.824 1.00 0.00 C ATOM 929 OD1 ASN A 57 0.561 2.654 -7.754 1.00 0.00 O ATOM 930 ND2 ASN A 57 -1.213 1.588 -6.884 1.00 0.00 N ATOM 0 H ASN A 57 1.470 1.697 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 57 1.861 3.890 -6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.499 2.667 -4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.704 4.161 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.348 1.029 -7.726 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.839 1.469 -6.088 1.00 0.00 H new ATOM 937 N ARG A 58 1.109 4.651 -3.030 1.00 0.00 N ATOM 938 CA ARG A 58 1.103 5.736 -2.057 1.00 0.00 C ATOM 939 C ARG A 58 2.465 6.423 -2.000 1.00 0.00 C ATOM 940 O ARG A 58 2.576 7.624 -2.243 1.00 0.00 O ATOM 941 CB ARG A 58 0.729 5.206 -0.672 1.00 0.00 C ATOM 942 CG ARG A 58 -0.770 5.116 -0.439 1.00 0.00 C ATOM 943 CD ARG A 58 -1.343 6.445 0.027 1.00 0.00 C ATOM 944 NE ARG A 58 -2.747 6.597 -0.345 1.00 0.00 N ATOM 945 CZ ARG A 58 -3.364 7.771 -0.424 1.00 0.00 C ATOM 946 NH1 ARG A 58 -2.703 8.889 -0.160 1.00 0.00 N ATOM 947 NH2 ARG A 58 -4.644 7.827 -0.769 1.00 0.00 N ATOM 0 H ARG A 58 0.892 3.734 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 58 0.359 6.468 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.169 4.217 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.168 5.854 0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.265 4.809 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.978 4.348 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.245 6.522 1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.763 7.261 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.284 5.755 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.719 8.849 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.179 9.789 -0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.155 6.968 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.117 8.729 -0.829 1.00 0.00 H new ATOM 961 N ARG A 59 3.498 5.651 -1.678 1.00 0.00 N ATOM 962 CA ARG A 59 4.852 6.184 -1.587 1.00 0.00 C ATOM 963 C ARG A 59 5.165 7.079 -2.783 1.00 0.00 C ATOM 964 O ARG A 59 5.777 8.136 -2.637 1.00 0.00 O ATOM 965 CB ARG A 59 5.868 5.044 -1.510 1.00 0.00 C ATOM 966 CG ARG A 59 7.140 5.411 -0.763 1.00 0.00 C ATOM 967 CD ARG A 59 8.294 4.498 -1.147 1.00 0.00 C ATOM 968 NE ARG A 59 9.570 4.982 -0.626 1.00 0.00 N ATOM 969 CZ ARG A 59 10.751 4.559 -1.066 1.00 0.00 C ATOM 970 NH1 ARG A 59 10.817 3.650 -2.028 1.00 0.00 N ATOM 971 NH2 ARG A 59 11.868 5.047 -0.542 1.00 0.00 N ATOM 0 H ARG A 59 3.423 4.654 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 59 4.919 6.783 -0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.404 4.187 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.128 4.731 -2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.405 6.446 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.965 5.346 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.104 3.494 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.351 4.422 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 59 9.554 5.682 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.960 3.273 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.725 3.327 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.821 5.747 0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.774 4.722 -0.880 1.00 0.00 H new ATOM 985 N ALA A 60 4.740 6.647 -3.966 1.00 0.00 N ATOM 986 CA ALA A 60 4.973 7.409 -5.187 1.00 0.00 C ATOM 987 C ALA A 60 4.603 8.876 -4.997 1.00 0.00 C ATOM 988 O ALA A 60 5.264 9.768 -5.530 1.00 0.00 O ATOM 989 CB ALA A 60 4.186 6.808 -6.342 1.00 0.00 C ATOM 0 H ALA A 60 4.232 5.773 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 60 6.036 7.358 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.369 7.387 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.502 5.777 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.122 6.829 -6.107 1.00 0.00 H new ATOM 995 N LYS A 61 3.541 9.120 -4.236 1.00 0.00 N ATOM 996 CA LYS A 61 3.082 10.479 -3.975 1.00 0.00 C ATOM 997 C LYS A 61 3.940 11.147 -2.905 1.00 0.00 C ATOM 998 O LYS A 61 4.231 12.340 -2.986 1.00 0.00 O ATOM 999 CB LYS A 61 1.616 10.469 -3.536 1.00 0.00 C ATOM 1000 CG LYS A 61 1.020 11.856 -3.376 1.00 0.00 C ATOM 1001 CD LYS A 61 -0.234 11.828 -2.518 1.00 0.00 C ATOM 1002 CE LYS A 61 -1.434 11.319 -3.301 1.00 0.00 C ATOM 1003 NZ LYS A 61 -1.381 9.845 -3.501 1.00 0.00 N ATOM 0 H LYS A 61 2.982 8.393 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 61 3.174 11.051 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.030 9.913 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.533 9.935 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.757 12.520 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.782 12.266 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.068 11.190 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.442 12.830 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.350 11.581 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.472 11.816 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.334 9.444 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.032 9.637 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.740 9.422 -2.799 1.00 0.00 H new ATOM 1017 N TRP A 62 4.342 10.370 -1.906 1.00 0.00 N ATOM 1018 CA TRP A 62 5.168 10.887 -0.821 1.00 0.00 C ATOM 1019 C TRP A 62 6.461 11.489 -1.360 1.00 0.00 C ATOM 1020 O TRP A 62 6.849 12.593 -0.977 1.00 0.00 O ATOM 1021 CB TRP A 62 5.487 9.775 0.180 1.00 0.00 C ATOM 1022 CG TRP A 62 6.681 10.070 1.035 1.00 0.00 C ATOM 1023 CD1 TRP A 62 6.699 10.786 2.199 1.00 0.00 C ATOM 1024 CD2 TRP A 62 8.031 9.659 0.794 1.00 0.00 C ATOM 1025 NE1 TRP A 62 7.980 10.844 2.695 1.00 0.00 N ATOM 1026 CE2 TRP A 62 8.815 10.160 1.852 1.00 0.00 C ATOM 1027 CE3 TRP A 62 8.654 8.915 -0.211 1.00 0.00 C ATOM 1028 CZ2 TRP A 62 10.188 9.941 1.930 1.00 0.00 C ATOM 1029 CZ3 TRP A 62 10.017 8.698 -0.133 1.00 0.00 C ATOM 1030 CH2 TRP A 62 10.771 9.209 0.932 1.00 0.00 C ATOM 0 H TRP A 62 4.110 9.380 -1.825 1.00 0.00 H new ATOM 0 HA TRP A 62 4.607 11.672 -0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 62 4.621 9.614 0.822 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.659 8.846 -0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 62 5.834 11.239 2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 62 8.263 11.319 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 62 8.081 8.516 -1.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 10.772 10.335 2.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 10.509 8.125 -0.905 1.00 0.00 H new ATOM 0 HH2 TRP A 62 11.834 9.021 0.966 1.00 0.00 H new ATOM 1041 N ARG A 63 7.123 10.757 -2.250 1.00 0.00 N ATOM 1042 CA ARG A 63 8.373 11.220 -2.841 1.00 0.00 C ATOM 1043 C ARG A 63 8.123 12.370 -3.811 1.00 0.00 C ATOM 1044 O ARG A 63 8.908 13.316 -3.884 1.00 0.00 O ATOM 1045 CB ARG A 63 9.075 10.070 -3.566 1.00 0.00 C ATOM 1046 CG ARG A 63 8.503 9.780 -4.944 1.00 0.00 C ATOM 1047 CD ARG A 63 8.868 8.381 -5.415 1.00 0.00 C ATOM 1048 NE ARG A 63 10.312 8.211 -5.558 1.00 0.00 N ATOM 1049 CZ ARG A 63 10.872 7.192 -6.200 1.00 0.00 C ATOM 1050 NH1 ARG A 63 10.114 6.257 -6.755 1.00 0.00 N ATOM 1051 NH2 ARG A 63 12.194 7.107 -6.287 1.00 0.00 N ATOM 0 H ARG A 63 6.815 9.841 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 63 9.015 11.580 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.135 10.306 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.004 9.170 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.418 9.885 -4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.878 10.515 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.485 7.648 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.383 8.182 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 63 10.924 8.913 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.098 6.319 -6.690 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.547 5.476 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.780 7.825 -5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.623 6.324 -6.780 1.00 0.00 H new ATOM 1065 N ARG A 64 7.025 12.283 -4.554 1.00 0.00 N ATOM 1066 CA ARG A 64 6.672 13.315 -5.521 1.00 0.00 C ATOM 1067 C ARG A 64 6.595 14.684 -4.851 1.00 0.00 C ATOM 1068 O ARG A 64 7.250 15.634 -5.279 1.00 0.00 O ATOM 1069 CB ARG A 64 5.335 12.985 -6.187 1.00 0.00 C ATOM 1070 CG ARG A 64 5.174 13.599 -7.568 1.00 0.00 C ATOM 1071 CD ARG A 64 4.245 12.771 -8.441 1.00 0.00 C ATOM 1072 NE ARG A 64 3.845 13.488 -9.649 1.00 0.00 N ATOM 1073 CZ ARG A 64 3.225 12.913 -10.673 1.00 0.00 C ATOM 1074 NH1 ARG A 64 2.934 11.620 -10.636 1.00 0.00 N ATOM 1075 NH2 ARG A 64 2.893 13.633 -11.738 1.00 0.00 N ATOM 0 H ARG A 64 6.364 11.508 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 64 7.451 13.345 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.236 11.902 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.524 13.333 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.780 14.611 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.150 13.680 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.742 11.841 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.357 12.500 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 64 4.053 14.485 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.186 11.064 -9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.458 11.182 -11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.114 14.628 -11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.417 13.191 -12.524 1.00 0.00 H new ATOM 1089 N SER A 65 5.789 14.777 -3.798 1.00 0.00 N ATOM 1090 CA SER A 65 5.623 16.030 -3.071 1.00 0.00 C ATOM 1091 C SER A 65 4.939 17.078 -3.945 1.00 0.00 C ATOM 1092 O SER A 65 5.308 18.252 -3.929 1.00 0.00 O ATOM 1093 CB SER A 65 6.979 16.553 -2.596 1.00 0.00 C ATOM 1094 OG SER A 65 6.824 17.502 -1.555 1.00 0.00 O ATOM 0 H SER A 65 5.241 14.000 -3.429 1.00 0.00 H new ATOM 0 HA SER A 65 4.992 15.837 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.591 15.721 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.509 17.009 -3.432 1.00 0.00 H new ATOM 0 HG SER A 65 6.232 18.223 -1.855 1.00 0.00 H new ATOM 1100 N GLY A 66 3.940 16.644 -4.707 1.00 0.00 N ATOM 1101 CA GLY A 66 3.221 17.556 -5.577 1.00 0.00 C ATOM 1102 C GLY A 66 1.722 17.333 -5.538 1.00 0.00 C ATOM 1103 O GLY A 66 1.236 16.325 -5.024 1.00 0.00 O ATOM 0 H GLY A 66 3.616 15.677 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.440 18.583 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.577 17.434 -6.600 1.00 0.00 H new ATOM 1107 N PRO A 67 0.963 18.292 -6.089 1.00 0.00 N ATOM 1108 CA PRO A 67 -0.501 18.219 -6.126 1.00 0.00 C ATOM 1109 C PRO A 67 -1.004 17.137 -7.077 1.00 0.00 C ATOM 1110 O PRO A 67 -0.534 17.025 -8.209 1.00 0.00 O ATOM 1111 CB PRO A 67 -0.912 19.605 -6.628 1.00 0.00 C ATOM 1112 CG PRO A 67 0.263 20.092 -7.402 1.00 0.00 C ATOM 1113 CD PRO A 67 1.475 19.520 -6.719 1.00 0.00 C ATOM 0 HA PRO A 67 -0.921 17.960 -5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.803 19.551 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.144 20.273 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.209 19.765 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.299 21.181 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.273 19.305 -7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.884 20.210 -5.981 1.00 0.00 H new ATOM 1121 N SER A 68 -1.962 16.344 -6.609 1.00 0.00 N ATOM 1122 CA SER A 68 -2.526 15.269 -7.417 1.00 0.00 C ATOM 1123 C SER A 68 -3.914 14.883 -6.914 1.00 0.00 C ATOM 1124 O SER A 68 -4.253 15.116 -5.754 1.00 0.00 O ATOM 1125 CB SER A 68 -1.605 14.048 -7.393 1.00 0.00 C ATOM 1126 OG SER A 68 -2.038 13.065 -8.318 1.00 0.00 O ATOM 0 H SER A 68 -2.364 16.425 -5.675 1.00 0.00 H new ATOM 0 HA SER A 68 -2.616 15.627 -8.443 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.586 14.352 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.584 13.624 -6.389 1.00 0.00 H new ATOM 0 HG SER A 68 -1.432 12.295 -8.285 1.00 0.00 H new ATOM 1132 N SER A 69 -4.713 14.292 -7.797 1.00 0.00 N ATOM 1133 CA SER A 69 -6.066 13.877 -7.446 1.00 0.00 C ATOM 1134 C SER A 69 -6.348 12.464 -7.948 1.00 0.00 C ATOM 1135 O SER A 69 -6.281 12.194 -9.146 1.00 0.00 O ATOM 1136 CB SER A 69 -7.090 14.852 -8.031 1.00 0.00 C ATOM 1137 OG SER A 69 -8.303 14.818 -7.300 1.00 0.00 O ATOM 0 H SER A 69 -4.447 14.090 -8.761 1.00 0.00 H new ATOM 0 HA SER A 69 -6.150 13.882 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.683 15.863 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.283 14.599 -9.074 1.00 0.00 H new ATOM 0 HG SER A 69 -8.940 15.451 -7.693 1.00 0.00 H new ATOM 1143 N GLY A 70 -6.665 11.566 -7.020 1.00 0.00 N ATOM 1144 CA GLY A 70 -6.953 10.191 -7.386 1.00 0.00 C ATOM 1145 C GLY A 70 -5.753 9.489 -7.990 1.00 0.00 C ATOM 1146 O GLY A 70 -5.777 9.096 -9.156 1.00 0.00 O ATOM 0 H GLY A 70 -6.728 11.766 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.283 9.645 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.778 10.173 -8.099 1.00 0.00 H new TER 1150 GLY A 70