USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 758 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 33 TYR OH : rot -45:sc= -5.03! USER MOD Set 1.2: A 70 HIS : no HE2:sc= -6.6! C(o=-12!,f=-18!) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.138 (180deg=-0.581) USER MOD Single : A 11 HIS : no HD1:sc= -4.78! C(o=-4.8!,f=-5.5!) USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00654) USER MOD Single : A 19 ASN : amide:sc= 0.225 K(o=0.23,f=-4.9!) USER MOD Single : A 23 LYS NZ :NH3+ -136:sc= -0.969 (180deg=-3.11!) USER MOD Single : A 25 TYR OH : rot -72:sc= 0.457 USER MOD Single : A 27 TYR OH : rot -108:sc= 1.18 USER MOD Single : A 32 MET CE :methyl -167:sc= -1.89 (180deg=-2.75!) USER MOD Single : A 34 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -92:sc= 0.74 USER MOD Single : A 37 MET CE :methyl 168:sc= -3.04 (180deg=-3.43!) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0881) USER MOD Single : A 51 ASN : amide:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.41) USER MOD Single : A 74 TYR OH : rot -110:sc= -1.24 USER MOD Single : A 76 GLN : amide:sc=-0.00785 K(o=-0.0079,f=-1.2) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.029) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.172 3.527 2.075 1.00 0.00 N ATOM 33 CA ARG A 3 -16.597 2.143 2.229 1.00 0.00 C ATOM 34 C ARG A 3 -16.263 1.329 0.982 1.00 0.00 C ATOM 35 O ARG A 3 -15.707 0.236 1.074 1.00 0.00 O ATOM 36 CB ARG A 3 -18.101 2.077 2.510 1.00 0.00 C ATOM 37 CG ARG A 3 -18.461 1.170 3.674 1.00 0.00 C ATOM 38 CD ARG A 3 -19.964 0.953 3.766 1.00 0.00 C ATOM 39 NE ARG A 3 -20.362 0.426 5.068 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.626 0.203 5.422 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.615 0.461 4.577 1.00 0.00 N ATOM 42 NH2 ARG A 3 -21.899 -0.277 6.628 1.00 0.00 N ATOM 0 HA ARG A 3 -16.058 1.715 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.468 3.082 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.615 1.727 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.960 0.209 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.098 1.608 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.478 1.897 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.279 0.262 2.984 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.629 0.216 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.410 0.833 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.581 0.288 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.141 -0.474 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.867 -0.449 6.902 1.00 0.00 H new ATOM 56 N LYS A 4 -16.605 1.873 -0.180 1.00 0.00 N ATOM 57 CA LYS A 4 -16.342 1.200 -1.448 1.00 0.00 C ATOM 58 C LYS A 4 -14.849 0.981 -1.646 1.00 0.00 C ATOM 59 O LYS A 4 -14.435 -0.002 -2.259 1.00 0.00 O ATOM 60 CB LYS A 4 -16.915 2.009 -2.613 1.00 0.00 C ATOM 61 CG LYS A 4 -18.382 2.371 -2.440 1.00 0.00 C ATOM 62 CD LYS A 4 -18.651 3.817 -2.827 1.00 0.00 C ATOM 63 CE LYS A 4 -20.102 4.198 -2.583 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.571 3.767 -1.239 1.00 0.00 N ATOM 0 H LYS A 4 -17.065 2.779 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.832 0.227 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.335 2.924 -2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.797 1.438 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.995 1.710 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.677 2.210 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.999 4.476 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.407 3.965 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.214 5.278 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.730 3.744 -3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.486 4.216 -1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.682 2.733 -1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.874 4.050 -0.521 1.00 0.00 H new ATOM 78 N VAL A 5 -14.040 1.896 -1.121 1.00 0.00 N ATOM 79 CA VAL A 5 -12.593 1.785 -1.241 1.00 0.00 C ATOM 80 C VAL A 5 -12.129 0.414 -0.767 1.00 0.00 C ATOM 81 O VAL A 5 -11.172 -0.151 -1.298 1.00 0.00 O ATOM 82 CB VAL A 5 -11.872 2.876 -0.427 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.375 2.844 -0.696 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.449 4.247 -0.747 1.00 0.00 C ATOM 0 H VAL A 5 -14.361 2.719 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.341 1.917 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.030 2.677 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.884 3.622 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.975 1.870 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.192 3.017 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.928 5.006 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.323 4.456 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.510 4.262 -0.498 1.00 0.00 H new ATOM 94 N ALA A 6 -12.828 -0.121 0.227 1.00 0.00 N ATOM 95 CA ALA A 6 -12.511 -1.434 0.768 1.00 0.00 C ATOM 96 C ALA A 6 -12.914 -2.531 -0.211 1.00 0.00 C ATOM 97 O ALA A 6 -12.185 -3.504 -0.406 1.00 0.00 O ATOM 98 CB ALA A 6 -13.199 -1.637 2.109 1.00 0.00 C ATOM 0 H ALA A 6 -13.621 0.338 0.675 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.433 -1.491 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.951 -2.624 2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.861 -0.874 2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.278 -1.559 1.980 1.00 0.00 H new ATOM 104 N ARG A 7 -14.082 -2.364 -0.826 1.00 0.00 N ATOM 105 CA ARG A 7 -14.586 -3.338 -1.788 1.00 0.00 C ATOM 106 C ARG A 7 -13.730 -3.352 -3.047 1.00 0.00 C ATOM 107 O ARG A 7 -13.475 -4.408 -3.619 1.00 0.00 O ATOM 108 CB ARG A 7 -16.043 -3.036 -2.145 1.00 0.00 C ATOM 109 CG ARG A 7 -16.647 -4.024 -3.130 1.00 0.00 C ATOM 110 CD ARG A 7 -18.072 -4.391 -2.752 1.00 0.00 C ATOM 111 NE ARG A 7 -18.981 -3.253 -2.867 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.305 -3.367 -2.946 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.879 -4.564 -2.924 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.059 -2.281 -3.049 1.00 0.00 N ATOM 0 H ARG A 7 -14.696 -1.564 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.535 -4.324 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.639 -3.036 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.104 -2.033 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.635 -3.594 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.035 -4.925 -3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.420 -5.199 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.090 -4.767 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.578 -2.316 -2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.305 -5.404 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.894 -4.644 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.624 -1.358 -3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -22.073 -2.368 -3.110 1.00 0.00 H new ATOM 128 N GLU A 8 -13.286 -2.178 -3.471 1.00 0.00 N ATOM 129 CA GLU A 8 -12.455 -2.072 -4.661 1.00 0.00 C ATOM 130 C GLU A 8 -11.073 -2.650 -4.398 1.00 0.00 C ATOM 131 O GLU A 8 -10.562 -3.446 -5.187 1.00 0.00 O ATOM 132 CB GLU A 8 -12.341 -0.614 -5.108 1.00 0.00 C ATOM 133 CG GLU A 8 -13.679 0.105 -5.186 1.00 0.00 C ATOM 134 CD GLU A 8 -14.032 0.533 -6.597 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.107 0.878 -7.362 1.00 0.00 O ATOM 136 OE2 GLU A 8 -15.234 0.521 -6.937 1.00 0.00 O ATOM 0 H GLU A 8 -13.486 -1.290 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.926 -2.645 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.691 -0.080 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.862 -0.579 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.462 -0.550 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.653 0.983 -4.540 1.00 0.00 H new ATOM 143 N PHE A 9 -10.475 -2.258 -3.279 1.00 0.00 N ATOM 144 CA PHE A 9 -9.156 -2.752 -2.909 1.00 0.00 C ATOM 145 C PHE A 9 -9.198 -4.262 -2.707 1.00 0.00 C ATOM 146 O PHE A 9 -8.273 -4.978 -3.096 1.00 0.00 O ATOM 147 CB PHE A 9 -8.667 -2.066 -1.634 1.00 0.00 C ATOM 148 CG PHE A 9 -7.231 -2.360 -1.309 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.235 -2.141 -2.247 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.876 -2.852 -0.063 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.913 -2.410 -1.951 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.555 -3.123 0.240 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.572 -2.901 -0.705 1.00 0.00 C ATOM 0 H PHE A 9 -10.882 -1.601 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.461 -2.522 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.794 -0.989 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.292 -2.381 -0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.496 -1.755 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.640 -3.026 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.147 -2.237 -2.692 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.292 -3.508 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.539 -3.111 -0.470 1.00 0.00 H new ATOM 163 N ARG A 10 -10.280 -4.739 -2.099 1.00 0.00 N ATOM 164 CA ARG A 10 -10.449 -6.163 -1.847 1.00 0.00 C ATOM 165 C ARG A 10 -10.727 -6.916 -3.143 1.00 0.00 C ATOM 166 O ARG A 10 -10.094 -7.933 -3.427 1.00 0.00 O ATOM 167 CB ARG A 10 -11.587 -6.399 -0.853 1.00 0.00 C ATOM 168 CG ARG A 10 -11.600 -7.802 -0.267 1.00 0.00 C ATOM 169 CD ARG A 10 -12.672 -7.956 0.800 1.00 0.00 C ATOM 170 NE ARG A 10 -12.691 -6.827 1.730 1.00 0.00 N ATOM 171 CZ ARG A 10 -13.485 -5.766 1.598 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.323 -5.670 0.573 1.00 0.00 N ATOM 173 NH2 ARG A 10 -13.437 -4.791 2.496 1.00 0.00 N ATOM 0 H ARG A 10 -11.052 -4.158 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.520 -6.541 -1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.506 -5.676 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.538 -6.213 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.772 -8.527 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.624 -8.026 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.647 -8.048 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.501 -8.879 1.354 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.057 -6.854 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.364 -6.414 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.926 -4.853 0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.793 -4.855 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.044 -3.977 2.398 1.00 0.00 H new ATOM 187 N HIS A 11 -11.679 -6.415 -3.927 1.00 0.00 N ATOM 188 CA HIS A 11 -12.030 -7.056 -5.191 1.00 0.00 C ATOM 189 C HIS A 11 -10.825 -7.127 -6.123 1.00 0.00 C ATOM 190 O HIS A 11 -10.575 -8.157 -6.749 1.00 0.00 O ATOM 191 CB HIS A 11 -13.177 -6.307 -5.873 1.00 0.00 C ATOM 192 CG HIS A 11 -14.011 -7.176 -6.763 1.00 0.00 C ATOM 193 ND1 HIS A 11 -15.287 -6.839 -7.165 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.747 -8.378 -7.328 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.771 -7.796 -7.936 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.857 -8.740 -8.051 1.00 0.00 N ATOM 0 H HIS A 11 -12.216 -5.575 -3.712 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.354 -8.073 -4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -13.816 -5.863 -5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.766 -5.486 -6.461 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.834 -8.946 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.749 -7.804 -8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.958 -9.600 -8.590 1.00 0.00 H new ATOM 205 N LYS A 12 -10.077 -6.032 -6.211 1.00 0.00 N ATOM 206 CA LYS A 12 -8.895 -5.983 -7.067 1.00 0.00 C ATOM 207 C LYS A 12 -7.892 -7.052 -6.652 1.00 0.00 C ATOM 208 O LYS A 12 -7.457 -7.865 -7.471 1.00 0.00 O ATOM 209 CB LYS A 12 -8.245 -4.598 -7.005 1.00 0.00 C ATOM 210 CG LYS A 12 -8.376 -3.806 -8.295 1.00 0.00 C ATOM 211 CD LYS A 12 -7.136 -3.946 -9.164 1.00 0.00 C ATOM 212 CE LYS A 12 -7.182 -3.003 -10.355 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.873 -1.600 -9.964 1.00 0.00 N ATOM 0 H LYS A 12 -10.267 -5.169 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.207 -6.176 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.697 -4.030 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.188 -4.712 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.250 -4.151 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.541 -2.754 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.247 -3.738 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.051 -4.974 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.469 -3.335 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.171 -3.043 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.881 -0.994 -10.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.588 -1.262 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.933 -1.562 -9.520 1.00 0.00 H new ATOM 227 N VAL A 13 -7.529 -7.050 -5.373 1.00 0.00 N ATOM 228 CA VAL A 13 -6.581 -8.025 -4.849 1.00 0.00 C ATOM 229 C VAL A 13 -7.084 -9.445 -5.079 1.00 0.00 C ATOM 230 O VAL A 13 -6.311 -10.343 -5.415 1.00 0.00 O ATOM 231 CB VAL A 13 -6.332 -7.812 -3.342 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.271 -8.775 -2.830 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.928 -6.371 -3.067 1.00 0.00 C ATOM 0 H VAL A 13 -7.877 -6.385 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.642 -7.882 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.261 -8.016 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.111 -8.607 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.603 -9.801 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.338 -8.608 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.756 -6.239 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.014 -6.139 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.724 -5.701 -3.392 1.00 0.00 H new ATOM 243 N ASP A 14 -8.386 -9.640 -4.900 1.00 0.00 N ATOM 244 CA ASP A 14 -8.998 -10.948 -5.090 1.00 0.00 C ATOM 245 C ASP A 14 -9.082 -11.307 -6.572 1.00 0.00 C ATOM 246 O ASP A 14 -9.162 -12.481 -6.929 1.00 0.00 O ATOM 247 CB ASP A 14 -10.394 -10.979 -4.468 1.00 0.00 C ATOM 248 CG ASP A 14 -11.044 -12.345 -4.567 1.00 0.00 C ATOM 249 OD1 ASP A 14 -10.428 -13.330 -4.107 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.167 -12.431 -5.106 1.00 0.00 O ATOM 0 H ASP A 14 -9.038 -8.906 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.369 -11.686 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.328 -10.687 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.026 -10.243 -4.965 1.00 0.00 H new ATOM 255 N PHE A 15 -9.058 -10.294 -7.430 1.00 0.00 N ATOM 256 CA PHE A 15 -9.123 -10.517 -8.868 1.00 0.00 C ATOM 257 C PHE A 15 -7.838 -11.167 -9.354 1.00 0.00 C ATOM 258 O PHE A 15 -7.856 -12.222 -9.989 1.00 0.00 O ATOM 259 CB PHE A 15 -9.358 -9.196 -9.606 1.00 0.00 C ATOM 260 CG PHE A 15 -10.801 -8.934 -9.926 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.601 -9.934 -10.455 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.360 -7.685 -9.698 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.929 -9.696 -10.751 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.688 -7.441 -9.992 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.474 -8.447 -10.520 1.00 0.00 C ATOM 0 H PHE A 15 -8.994 -9.314 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.959 -11.184 -9.078 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.975 -8.377 -8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.784 -9.200 -10.533 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.181 -10.912 -10.638 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.750 -6.894 -9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -13.541 -10.485 -11.163 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.111 -6.464 -9.809 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.512 -8.258 -10.752 1.00 0.00 H new ATOM 275 N LEU A 16 -6.723 -10.519 -9.047 1.00 0.00 N ATOM 276 CA LEU A 16 -5.408 -11.014 -9.443 1.00 0.00 C ATOM 277 C LEU A 16 -5.080 -12.340 -8.761 1.00 0.00 C ATOM 278 O LEU A 16 -4.539 -13.250 -9.389 1.00 0.00 O ATOM 279 CB LEU A 16 -4.326 -9.983 -9.124 1.00 0.00 C ATOM 280 CG LEU A 16 -4.551 -9.226 -7.823 1.00 0.00 C ATOM 281 CD1 LEU A 16 -3.385 -9.437 -6.869 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.765 -7.744 -8.091 1.00 0.00 C ATOM 0 H LEU A 16 -6.701 -9.645 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.434 -11.183 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.361 -10.488 -9.075 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.270 -9.266 -9.943 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.452 -9.620 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.566 -8.887 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.286 -10.499 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.466 -9.076 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.924 -7.223 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.886 -7.334 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.638 -7.612 -8.730 1.00 0.00 H new ATOM 294 N ILE A 17 -5.404 -12.441 -7.477 1.00 0.00 N ATOM 295 CA ILE A 17 -5.136 -13.653 -6.716 1.00 0.00 C ATOM 296 C ILE A 17 -6.280 -14.639 -6.815 1.00 0.00 C ATOM 297 O ILE A 17 -6.116 -15.754 -7.309 1.00 0.00 O ATOM 298 CB ILE A 17 -4.895 -13.345 -5.226 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.810 -12.295 -5.077 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.505 -14.608 -4.473 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.991 -11.398 -3.871 1.00 0.00 C ATOM 0 H ILE A 17 -5.853 -11.697 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.237 -14.090 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.822 -12.960 -4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.843 -12.793 -5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.787 -11.679 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.339 -14.369 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.306 -15.343 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.590 -15.019 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.178 -10.673 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.942 -10.872 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.984 -12.002 -2.964 1.00 0.00 H new ATOM 313 N GLU A 18 -7.429 -14.231 -6.300 1.00 0.00 N ATOM 314 CA GLU A 18 -8.596 -15.081 -6.281 1.00 0.00 C ATOM 315 C GLU A 18 -8.380 -16.247 -5.331 1.00 0.00 C ATOM 316 O GLU A 18 -9.218 -17.137 -5.200 1.00 0.00 O ATOM 317 CB GLU A 18 -8.940 -15.574 -7.680 1.00 0.00 C ATOM 318 CG GLU A 18 -10.127 -16.502 -7.684 1.00 0.00 C ATOM 319 CD GLU A 18 -10.730 -16.687 -9.063 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.936 -15.671 -9.762 1.00 0.00 O ATOM 321 OE2 GLU A 18 -10.999 -17.845 -9.443 1.00 0.00 O ATOM 0 H GLU A 18 -7.573 -13.309 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.442 -14.494 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.148 -14.719 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.078 -16.089 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.823 -17.473 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.889 -16.111 -7.010 1.00 0.00 H new ATOM 328 N ASN A 19 -7.238 -16.216 -4.670 1.00 0.00 N ATOM 329 CA ASN A 19 -6.868 -17.250 -3.714 1.00 0.00 C ATOM 330 C ASN A 19 -7.064 -16.759 -2.283 1.00 0.00 C ATOM 331 O ASN A 19 -7.191 -15.558 -2.041 1.00 0.00 O ATOM 332 CB ASN A 19 -5.414 -17.677 -3.927 1.00 0.00 C ATOM 333 CG ASN A 19 -5.223 -19.173 -3.778 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.666 -19.773 -2.799 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.561 -19.785 -4.753 1.00 0.00 N ATOM 0 H ASN A 19 -6.542 -15.478 -4.778 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.517 -18.111 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.090 -17.369 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.777 -17.159 -3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.403 -20.792 -4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.211 -19.248 -5.547 1.00 0.00 H new ATOM 342 N ASP A 20 -7.090 -17.692 -1.338 1.00 0.00 N ATOM 343 CA ASP A 20 -7.274 -17.350 0.066 1.00 0.00 C ATOM 344 C ASP A 20 -5.938 -17.296 0.799 1.00 0.00 C ATOM 345 O ASP A 20 -5.677 -16.369 1.564 1.00 0.00 O ATOM 346 CB ASP A 20 -8.200 -18.363 0.743 1.00 0.00 C ATOM 347 CG ASP A 20 -9.664 -18.001 0.590 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.022 -16.840 0.880 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.453 -18.880 0.182 1.00 0.00 O ATOM 0 H ASP A 20 -6.986 -18.690 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.730 -16.361 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.027 -19.351 0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.953 -18.425 1.803 1.00 0.00 H new ATOM 354 N ALA A 21 -5.096 -18.297 0.563 1.00 0.00 N ATOM 355 CA ALA A 21 -3.788 -18.360 1.205 1.00 0.00 C ATOM 356 C ALA A 21 -2.971 -17.109 0.908 1.00 0.00 C ATOM 357 O ALA A 21 -2.415 -16.488 1.813 1.00 0.00 O ATOM 358 CB ALA A 21 -3.036 -19.604 0.756 1.00 0.00 C ATOM 0 H ALA A 21 -5.296 -19.074 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.943 -18.414 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.062 -19.636 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.607 -20.492 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.899 -19.576 -0.325 1.00 0.00 H new ATOM 364 N GLU A 22 -2.910 -16.745 -0.364 1.00 0.00 N ATOM 365 CA GLU A 22 -2.167 -15.564 -0.785 1.00 0.00 C ATOM 366 C GLU A 22 -2.795 -14.304 -0.202 1.00 0.00 C ATOM 367 O GLU A 22 -2.095 -13.433 0.318 1.00 0.00 O ATOM 368 CB GLU A 22 -2.126 -15.474 -2.310 1.00 0.00 C ATOM 369 CG GLU A 22 -1.023 -16.311 -2.939 1.00 0.00 C ATOM 370 CD GLU A 22 -0.618 -15.806 -4.310 1.00 0.00 C ATOM 371 OE1 GLU A 22 -0.442 -14.579 -4.463 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.477 -16.638 -5.231 1.00 0.00 O ATOM 0 H GLU A 22 -3.366 -17.250 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.146 -15.650 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.088 -15.795 -2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.991 -14.432 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.152 -16.310 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.358 -17.345 -3.021 1.00 0.00 H new ATOM 379 N LYS A 23 -4.119 -14.217 -0.277 1.00 0.00 N ATOM 380 CA LYS A 23 -4.838 -13.067 0.255 1.00 0.00 C ATOM 381 C LYS A 23 -4.673 -12.999 1.764 1.00 0.00 C ATOM 382 O LYS A 23 -4.620 -11.915 2.341 1.00 0.00 O ATOM 383 CB LYS A 23 -6.321 -13.145 -0.110 1.00 0.00 C ATOM 384 CG LYS A 23 -6.981 -11.787 -0.274 1.00 0.00 C ATOM 385 CD LYS A 23 -8.493 -11.885 -0.155 1.00 0.00 C ATOM 386 CE LYS A 23 -9.159 -11.957 -1.519 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.644 -12.007 -1.411 1.00 0.00 N ATOM 0 H LYS A 23 -4.714 -14.929 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.420 -12.163 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.429 -13.706 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.848 -13.704 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.599 -11.102 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.718 -11.368 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.756 -12.769 0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.872 -11.021 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.867 -11.090 -2.112 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.804 -12.840 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.016 -12.725 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.913 -12.253 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.041 -11.078 -1.656 1.00 0.00 H new ATOM 401 N ASP A 24 -4.574 -14.164 2.396 1.00 0.00 N ATOM 402 CA ASP A 24 -4.395 -14.224 3.837 1.00 0.00 C ATOM 403 C ASP A 24 -3.089 -13.542 4.228 1.00 0.00 C ATOM 404 O ASP A 24 -3.054 -12.722 5.146 1.00 0.00 O ATOM 405 CB ASP A 24 -4.396 -15.679 4.317 1.00 0.00 C ATOM 406 CG ASP A 24 -5.549 -15.976 5.255 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.656 -15.448 5.023 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.343 -16.738 6.224 1.00 0.00 O ATOM 0 H ASP A 24 -4.615 -15.072 1.934 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.225 -13.702 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.452 -16.343 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.455 -15.893 4.823 1.00 0.00 H new ATOM 413 N TYR A 25 -2.019 -13.879 3.513 1.00 0.00 N ATOM 414 CA TYR A 25 -0.713 -13.293 3.775 1.00 0.00 C ATOM 415 C TYR A 25 -0.700 -11.814 3.433 1.00 0.00 C ATOM 416 O TYR A 25 -0.266 -10.993 4.238 1.00 0.00 O ATOM 417 CB TYR A 25 0.378 -14.032 2.995 1.00 0.00 C ATOM 418 CG TYR A 25 1.769 -13.487 3.232 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.405 -13.660 4.453 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.445 -12.803 2.230 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.677 -13.164 4.672 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.716 -12.304 2.441 1.00 0.00 C ATOM 423 CZ TYR A 25 4.328 -12.488 3.662 1.00 0.00 C ATOM 424 OH TYR A 25 5.595 -11.994 3.876 1.00 0.00 O ATOM 0 H TYR A 25 -2.033 -14.554 2.749 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.508 -13.397 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.359 -15.086 3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.152 -13.977 1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.898 -14.191 5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.970 -12.659 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.158 -13.305 5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.228 -11.772 1.653 1.00 0.00 H new ATOM 0 HH TYR A 25 5.547 -11.220 4.475 1.00 0.00 H new ATOM 434 N LEU A 26 -1.192 -11.463 2.246 1.00 0.00 N ATOM 435 CA LEU A 26 -1.234 -10.062 1.855 1.00 0.00 C ATOM 436 C LEU A 26 -2.028 -9.295 2.890 1.00 0.00 C ATOM 437 O LEU A 26 -1.622 -8.219 3.331 1.00 0.00 O ATOM 438 CB LEU A 26 -1.851 -9.888 0.465 1.00 0.00 C ATOM 439 CG LEU A 26 -1.560 -8.538 -0.200 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.925 -8.739 -1.569 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.833 -7.710 -0.316 1.00 0.00 C ATOM 0 H LEU A 26 -1.559 -12.116 1.554 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.216 -9.675 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.483 -10.684 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.931 -10.014 0.543 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.854 -7.994 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.726 -7.769 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.011 -9.287 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.604 -9.306 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.604 -6.756 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.564 -8.249 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.243 -7.532 0.678 1.00 0.00 H new ATOM 453 N TYR A 27 -3.139 -9.883 3.321 1.00 0.00 N ATOM 454 CA TYR A 27 -3.948 -9.269 4.358 1.00 0.00 C ATOM 455 C TYR A 27 -3.097 -9.124 5.615 1.00 0.00 C ATOM 456 O TYR A 27 -3.218 -8.148 6.354 1.00 0.00 O ATOM 457 CB TYR A 27 -5.196 -10.104 4.654 1.00 0.00 C ATOM 458 CG TYR A 27 -6.464 -9.521 4.074 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.787 -8.183 4.267 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.337 -10.305 3.331 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.945 -7.645 3.738 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.496 -9.774 2.798 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.796 -8.445 3.005 1.00 0.00 C ATOM 464 OH TYR A 27 -9.950 -7.912 2.478 1.00 0.00 O ATOM 0 H TYR A 27 -3.494 -10.773 2.971 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.284 -8.290 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.053 -11.109 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.311 -10.201 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.122 -7.553 4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.106 -11.347 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.182 -6.604 3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.164 -10.398 2.222 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.724 -8.255 2.972 1.00 0.00 H new ATOM 474 N ASP A 28 -2.210 -10.103 5.834 1.00 0.00 N ATOM 475 CA ASP A 28 -1.318 -10.077 6.981 1.00 0.00 C ATOM 476 C ASP A 28 -0.239 -9.017 6.785 1.00 0.00 C ATOM 477 O ASP A 28 0.243 -8.422 7.750 1.00 0.00 O ATOM 478 CB ASP A 28 -0.678 -11.451 7.191 1.00 0.00 C ATOM 479 CG ASP A 28 -1.235 -12.167 8.405 1.00 0.00 C ATOM 480 OD1 ASP A 28 -2.349 -12.724 8.308 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.557 -12.172 9.454 1.00 0.00 O ATOM 0 H ASP A 28 -2.097 -10.917 5.229 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.900 -9.826 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.840 -12.064 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.400 -11.334 7.304 1.00 0.00 H new ATOM 486 N VAL A 29 0.139 -8.782 5.525 1.00 0.00 N ATOM 487 CA VAL A 29 1.160 -7.791 5.211 1.00 0.00 C ATOM 488 C VAL A 29 0.647 -6.379 5.472 1.00 0.00 C ATOM 489 O VAL A 29 1.264 -5.610 6.211 1.00 0.00 O ATOM 490 CB VAL A 29 1.620 -7.899 3.743 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.732 -6.903 3.449 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.071 -9.319 3.430 1.00 0.00 C ATOM 0 H VAL A 29 -0.247 -9.264 4.713 1.00 0.00 H new ATOM 0 HA VAL A 29 2.011 -7.993 5.862 1.00 0.00 H new ATOM 0 HB VAL A 29 0.773 -7.657 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.040 -6.998 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.371 -5.891 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.583 -7.106 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.392 -9.378 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.901 -9.589 4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.242 -10.008 3.593 1.00 0.00 H new ATOM 502 N LEU A 30 -0.490 -6.043 4.869 1.00 0.00 N ATOM 503 CA LEU A 30 -1.085 -4.725 5.048 1.00 0.00 C ATOM 504 C LEU A 30 -1.400 -4.479 6.519 1.00 0.00 C ATOM 505 O LEU A 30 -1.246 -3.366 7.022 1.00 0.00 O ATOM 506 CB LEU A 30 -2.363 -4.600 4.213 1.00 0.00 C ATOM 507 CG LEU A 30 -2.198 -4.902 2.724 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.546 -5.212 2.092 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.531 -3.733 2.015 1.00 0.00 C ATOM 0 H LEU A 30 -1.016 -6.664 4.254 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.368 -3.976 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.114 -5.275 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.751 -3.587 4.321 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.559 -5.778 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.410 -5.425 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.987 -6.080 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.208 -4.354 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.421 -3.965 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.145 -2.840 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.548 -3.556 2.451 1.00 0.00 H new ATOM 521 N ARG A 31 -1.837 -5.531 7.204 1.00 0.00 N ATOM 522 CA ARG A 31 -2.170 -5.439 8.619 1.00 0.00 C ATOM 523 C ARG A 31 -0.929 -5.127 9.448 1.00 0.00 C ATOM 524 O ARG A 31 -0.963 -4.276 10.338 1.00 0.00 O ATOM 525 CB ARG A 31 -2.811 -6.742 9.101 1.00 0.00 C ATOM 526 CG ARG A 31 -4.326 -6.674 9.204 1.00 0.00 C ATOM 527 CD ARG A 31 -4.940 -8.055 9.354 1.00 0.00 C ATOM 528 NE ARG A 31 -5.227 -8.381 10.750 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.338 -8.913 11.587 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.101 -9.170 11.184 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.690 -9.186 12.837 1.00 0.00 N ATOM 0 H ARG A 31 -1.969 -6.458 6.800 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.884 -4.626 8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.538 -7.546 8.418 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.400 -7.000 10.077 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.606 -6.056 10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.730 -6.190 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.861 -8.107 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.260 -8.800 8.941 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.164 -8.190 11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.823 -8.960 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.428 -9.577 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.639 -8.988 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.012 -9.593 13.480 1.00 0.00 H new ATOM 545 N MET A 32 0.169 -5.816 9.149 1.00 0.00 N ATOM 546 CA MET A 32 1.419 -5.600 9.868 1.00 0.00 C ATOM 547 C MET A 32 2.054 -4.278 9.454 1.00 0.00 C ATOM 548 O MET A 32 2.739 -3.630 10.247 1.00 0.00 O ATOM 549 CB MET A 32 2.389 -6.759 9.614 1.00 0.00 C ATOM 550 CG MET A 32 2.909 -6.827 8.187 1.00 0.00 C ATOM 551 SD MET A 32 4.491 -7.681 8.066 1.00 0.00 S ATOM 552 CE MET A 32 5.473 -6.733 9.226 1.00 0.00 C ATOM 0 H MET A 32 0.218 -6.525 8.417 1.00 0.00 H new ATOM 0 HA MET A 32 1.199 -5.558 10.935 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.235 -6.667 10.295 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.889 -7.697 9.853 1.00 0.00 H new ATOM 0 HG2 MET A 32 2.176 -7.337 7.561 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.015 -5.816 7.794 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.527 -6.982 9.099 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.327 -5.669 9.042 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.164 -6.971 10.244 1.00 0.00 H new ATOM 562 N TYR A 33 1.815 -3.880 8.208 1.00 0.00 N ATOM 563 CA TYR A 33 2.356 -2.631 7.686 1.00 0.00 C ATOM 564 C TYR A 33 1.806 -1.443 8.468 1.00 0.00 C ATOM 565 O TYR A 33 2.534 -0.504 8.785 1.00 0.00 O ATOM 566 CB TYR A 33 2.019 -2.488 6.199 1.00 0.00 C ATOM 567 CG TYR A 33 2.322 -1.118 5.634 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.503 -0.459 5.956 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.427 -0.481 4.784 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.784 0.794 5.446 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.700 0.772 4.271 1.00 0.00 C ATOM 572 CZ TYR A 33 2.878 1.405 4.605 1.00 0.00 C ATOM 573 OH TYR A 33 3.152 2.654 4.097 1.00 0.00 O ATOM 0 H TYR A 33 1.250 -4.405 7.541 1.00 0.00 H new ATOM 0 HA TYR A 33 3.440 -2.649 7.800 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.578 -3.235 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.961 -2.705 6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.213 -0.935 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.503 -0.973 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.707 1.292 5.704 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.994 1.254 3.611 1.00 0.00 H new ATOM 0 HH TYR A 33 3.485 3.233 4.814 1.00 0.00 H new ATOM 583 N HIS A 34 0.514 -1.491 8.775 1.00 0.00 N ATOM 584 CA HIS A 34 -0.135 -0.418 9.519 1.00 0.00 C ATOM 585 C HIS A 34 0.379 -0.363 10.956 1.00 0.00 C ATOM 586 O HIS A 34 0.418 0.703 11.570 1.00 0.00 O ATOM 587 CB HIS A 34 -1.653 -0.610 9.510 1.00 0.00 C ATOM 588 CG HIS A 34 -2.407 0.612 9.082 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.187 1.249 7.879 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.384 1.314 9.705 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.993 2.291 7.782 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.730 2.351 8.875 1.00 0.00 N ATOM 0 H HIS A 34 -0.104 -2.261 8.520 1.00 0.00 H new ATOM 0 HA HIS A 34 0.106 0.527 9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.903 -1.434 8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.981 -0.898 10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.811 1.098 10.673 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.041 2.977 6.949 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.442 3.055 9.071 1.00 0.00 H new ATOM 601 N GLN A 35 0.768 -1.517 11.486 1.00 0.00 N ATOM 602 CA GLN A 35 1.275 -1.601 12.850 1.00 0.00 C ATOM 603 C GLN A 35 2.702 -1.075 12.940 1.00 0.00 C ATOM 604 O GLN A 35 2.982 -0.128 13.674 1.00 0.00 O ATOM 605 CB GLN A 35 1.221 -3.046 13.347 1.00 0.00 C ATOM 606 CG GLN A 35 1.247 -3.171 14.862 1.00 0.00 C ATOM 607 CD GLN A 35 1.854 -4.480 15.329 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.888 -4.495 15.996 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.212 -5.587 14.977 1.00 0.00 N ATOM 0 H GLN A 35 0.742 -2.408 10.991 1.00 0.00 H new ATOM 0 HA GLN A 35 0.641 -0.980 13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.315 -3.518 12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.065 -3.596 12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.816 -2.341 15.282 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.231 -3.088 15.247 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.358 -5.527 14.423 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.573 -6.498 15.260 1.00 0.00 H new ATOM 618 N THR A 36 3.598 -1.700 12.191 1.00 0.00 N ATOM 619 CA THR A 36 5.003 -1.305 12.183 1.00 0.00 C ATOM 620 C THR A 36 5.211 -0.016 11.395 1.00 0.00 C ATOM 621 O THR A 36 6.168 0.721 11.635 1.00 0.00 O ATOM 622 CB THR A 36 5.862 -2.422 11.587 1.00 0.00 C ATOM 623 OG1 THR A 36 7.210 -2.009 11.465 1.00 0.00 O ATOM 624 CG2 THR A 36 5.394 -2.871 10.218 1.00 0.00 C ATOM 0 H THR A 36 3.379 -2.485 11.578 1.00 0.00 H new ATOM 0 HA THR A 36 5.306 -1.127 13.215 1.00 0.00 H new ATOM 0 HB THR A 36 5.767 -3.259 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.356 -1.626 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.046 -3.664 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.372 -3.244 10.287 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.427 -2.028 9.528 1.00 0.00 H new ATOM 632 N MET A 37 4.313 0.251 10.450 1.00 0.00 N ATOM 633 CA MET A 37 4.402 1.451 9.626 1.00 0.00 C ATOM 634 C MET A 37 5.683 1.446 8.795 1.00 0.00 C ATOM 635 O MET A 37 6.420 2.432 8.762 1.00 0.00 O ATOM 636 CB MET A 37 4.345 2.705 10.501 1.00 0.00 C ATOM 637 CG MET A 37 2.999 2.916 11.174 1.00 0.00 C ATOM 638 SD MET A 37 1.913 4.005 10.231 1.00 0.00 S ATOM 639 CE MET A 37 0.329 3.210 10.489 1.00 0.00 C ATOM 0 H MET A 37 3.516 -0.348 10.237 1.00 0.00 H new ATOM 0 HA MET A 37 3.551 1.459 8.945 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.118 2.639 11.266 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.576 3.576 9.888 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.510 1.951 11.310 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.156 3.337 12.167 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.469 3.872 10.153 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.292 2.280 9.922 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.199 2.994 11.549 1.00 0.00 H new ATOM 649 N ASP A 38 5.940 0.328 8.123 1.00 0.00 N ATOM 650 CA ASP A 38 7.130 0.191 7.289 1.00 0.00 C ATOM 651 C ASP A 38 6.751 -0.117 5.844 1.00 0.00 C ATOM 652 O ASP A 38 6.307 -1.220 5.528 1.00 0.00 O ATOM 653 CB ASP A 38 8.035 -0.915 7.836 1.00 0.00 C ATOM 654 CG ASP A 38 8.952 -0.420 8.936 1.00 0.00 C ATOM 655 OD1 ASP A 38 9.625 0.612 8.728 1.00 0.00 O ATOM 656 OD2 ASP A 38 8.999 -1.063 10.007 1.00 0.00 O ATOM 0 H ASP A 38 5.340 -0.497 8.140 1.00 0.00 H new ATOM 0 HA ASP A 38 7.669 1.138 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.419 -1.729 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.635 -1.325 7.023 1.00 0.00 H new ATOM 661 N VAL A 39 6.929 0.870 4.970 1.00 0.00 N ATOM 662 CA VAL A 39 6.605 0.709 3.558 1.00 0.00 C ATOM 663 C VAL A 39 7.574 -0.251 2.872 1.00 0.00 C ATOM 664 O VAL A 39 7.232 -0.883 1.873 1.00 0.00 O ATOM 665 CB VAL A 39 6.634 2.060 2.817 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.095 1.908 1.401 1.00 0.00 C ATOM 667 CG2 VAL A 39 5.844 3.111 3.587 1.00 0.00 C ATOM 0 H VAL A 39 7.296 1.789 5.216 1.00 0.00 H new ATOM 0 HA VAL A 39 5.597 0.297 3.514 1.00 0.00 H new ATOM 0 HB VAL A 39 7.670 2.393 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.124 2.873 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.708 1.192 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.066 1.550 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.876 4.058 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.808 2.786 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.281 3.242 4.577 1.00 0.00 H new ATOM 677 N ALA A 40 8.781 -0.360 3.418 1.00 0.00 N ATOM 678 CA ALA A 40 9.790 -1.246 2.857 1.00 0.00 C ATOM 679 C ALA A 40 9.441 -2.698 3.145 1.00 0.00 C ATOM 680 O ALA A 40 9.850 -3.603 2.416 1.00 0.00 O ATOM 681 CB ALA A 40 11.163 -0.907 3.417 1.00 0.00 C ATOM 0 H ALA A 40 9.082 0.154 4.246 1.00 0.00 H new ATOM 0 HA ALA A 40 9.813 -1.105 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.907 -1.578 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.415 0.123 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.153 -1.022 4.501 1.00 0.00 H new ATOM 687 N VAL A 41 8.683 -2.916 4.213 1.00 0.00 N ATOM 688 CA VAL A 41 8.278 -4.255 4.594 1.00 0.00 C ATOM 689 C VAL A 41 7.115 -4.740 3.734 1.00 0.00 C ATOM 690 O VAL A 41 7.101 -5.885 3.281 1.00 0.00 O ATOM 691 CB VAL A 41 7.875 -4.323 6.079 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.530 -5.751 6.479 1.00 0.00 C ATOM 693 CG2 VAL A 41 8.988 -3.772 6.958 1.00 0.00 C ATOM 0 H VAL A 41 8.338 -2.179 4.828 1.00 0.00 H new ATOM 0 HA VAL A 41 9.139 -4.904 4.435 1.00 0.00 H new ATOM 0 HB VAL A 41 6.987 -3.707 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.248 -5.776 7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.698 -6.108 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.397 -6.393 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.687 -3.827 8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.894 -4.360 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.182 -2.733 6.691 1.00 0.00 H new ATOM 703 N LEU A 42 6.144 -3.861 3.507 1.00 0.00 N ATOM 704 CA LEU A 42 4.982 -4.206 2.698 1.00 0.00 C ATOM 705 C LEU A 42 5.392 -4.465 1.251 1.00 0.00 C ATOM 706 O LEU A 42 4.864 -5.365 0.599 1.00 0.00 O ATOM 707 CB LEU A 42 3.927 -3.094 2.767 1.00 0.00 C ATOM 708 CG LEU A 42 4.135 -1.921 1.805 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.495 -2.219 0.457 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.565 -0.640 2.398 1.00 0.00 C ATOM 0 H LEU A 42 6.139 -2.908 3.871 1.00 0.00 H new ATOM 0 HA LEU A 42 4.545 -5.120 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.949 -3.533 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.902 -2.705 3.785 1.00 0.00 H new ATOM 0 HG LEU A 42 5.205 -1.783 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.652 -1.375 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.948 -3.113 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.426 -2.383 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.721 0.184 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.497 -0.766 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.068 -0.420 3.340 1.00 0.00 H new ATOM 722 N VAL A 43 6.346 -3.678 0.758 1.00 0.00 N ATOM 723 CA VAL A 43 6.831 -3.837 -0.606 1.00 0.00 C ATOM 724 C VAL A 43 7.542 -5.176 -0.771 1.00 0.00 C ATOM 725 O VAL A 43 7.352 -5.873 -1.767 1.00 0.00 O ATOM 726 CB VAL A 43 7.792 -2.697 -1.004 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.261 -2.861 -2.442 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.122 -1.346 -0.808 1.00 0.00 C ATOM 0 H VAL A 43 6.795 -2.927 1.282 1.00 0.00 H new ATOM 0 HA VAL A 43 5.961 -3.802 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 43 8.668 -2.746 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.937 -2.046 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.782 -3.812 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.400 -2.843 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.813 -0.553 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.228 -1.290 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.844 -1.226 0.239 1.00 0.00 H new ATOM 738 N GLY A 44 8.358 -5.533 0.218 1.00 0.00 N ATOM 739 CA GLY A 44 9.077 -6.791 0.164 1.00 0.00 C ATOM 740 C GLY A 44 8.144 -7.979 0.046 1.00 0.00 C ATOM 741 O GLY A 44 8.275 -8.793 -0.869 1.00 0.00 O ATOM 0 H GLY A 44 8.533 -4.974 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.759 -6.781 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.687 -6.898 1.061 1.00 0.00 H new ATOM 745 N ASP A 45 7.191 -8.071 0.969 1.00 0.00 N ATOM 746 CA ASP A 45 6.226 -9.162 0.957 1.00 0.00 C ATOM 747 C ASP A 45 5.412 -9.144 -0.332 1.00 0.00 C ATOM 748 O ASP A 45 5.198 -10.182 -0.961 1.00 0.00 O ATOM 749 CB ASP A 45 5.294 -9.062 2.166 1.00 0.00 C ATOM 750 CG ASP A 45 6.044 -9.142 3.481 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.249 -8.817 3.497 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.424 -9.531 4.495 1.00 0.00 O ATOM 0 H ASP A 45 7.068 -7.405 1.732 1.00 0.00 H new ATOM 0 HA ASP A 45 6.773 -10.103 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.744 -8.122 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.558 -9.864 2.121 1.00 0.00 H new ATOM 757 N LEU A 46 4.963 -7.953 -0.727 1.00 0.00 N ATOM 758 CA LEU A 46 4.179 -7.798 -1.947 1.00 0.00 C ATOM 759 C LEU A 46 4.872 -8.478 -3.122 1.00 0.00 C ATOM 760 O LEU A 46 4.226 -9.104 -3.959 1.00 0.00 O ATOM 761 CB LEU A 46 3.956 -6.314 -2.255 1.00 0.00 C ATOM 762 CG LEU A 46 2.643 -5.728 -1.729 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.533 -4.257 -2.101 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.449 -6.504 -2.271 1.00 0.00 C ATOM 0 H LEU A 46 5.130 -7.084 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 46 3.211 -8.274 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.784 -5.744 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.990 -6.175 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 46 2.641 -5.814 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.594 -3.855 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.367 -3.708 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.559 -4.153 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.527 -6.070 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.445 -6.452 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.519 -7.546 -1.957 1.00 0.00 H new ATOM 776 N LYS A 47 6.196 -8.358 -3.172 1.00 0.00 N ATOM 777 CA LYS A 47 6.976 -8.970 -4.238 1.00 0.00 C ATOM 778 C LYS A 47 6.947 -10.489 -4.113 1.00 0.00 C ATOM 779 O LYS A 47 6.667 -11.201 -5.082 1.00 0.00 O ATOM 780 CB LYS A 47 8.420 -8.467 -4.199 1.00 0.00 C ATOM 781 CG LYS A 47 8.649 -7.215 -5.030 1.00 0.00 C ATOM 782 CD LYS A 47 9.664 -6.292 -4.378 1.00 0.00 C ATOM 783 CE LYS A 47 10.177 -5.248 -5.356 1.00 0.00 C ATOM 784 NZ LYS A 47 11.114 -5.835 -6.355 1.00 0.00 N ATOM 0 H LYS A 47 6.748 -7.843 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 47 6.533 -8.689 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.697 -8.263 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.081 -9.257 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.997 -7.496 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.705 -6.686 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.208 -5.796 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.501 -6.879 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.334 -4.791 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.683 -4.454 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.608 -5.071 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.810 -6.435 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.579 -6.409 -7.037 1.00 0.00 H new ATOM 798 N LEU A 48 7.228 -10.982 -2.908 1.00 0.00 N ATOM 799 CA LEU A 48 7.227 -12.417 -2.648 1.00 0.00 C ATOM 800 C LEU A 48 5.917 -13.047 -3.115 1.00 0.00 C ATOM 801 O LEU A 48 5.871 -14.229 -3.455 1.00 0.00 O ATOM 802 CB LEU A 48 7.432 -12.689 -1.157 1.00 0.00 C ATOM 803 CG LEU A 48 8.877 -12.561 -0.669 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.913 -12.346 0.836 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.677 -13.795 -1.052 1.00 0.00 C ATOM 0 H LEU A 48 7.459 -10.407 -2.098 1.00 0.00 H new ATOM 0 HA LEU A 48 8.049 -12.864 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.810 -11.998 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.077 -13.695 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 48 9.330 -11.694 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.948 -12.257 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.373 -11.433 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.444 -13.194 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.702 -13.688 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.226 -14.677 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.677 -13.906 -2.136 1.00 0.00 H new ATOM 817 N VAL A 49 4.857 -12.243 -3.141 1.00 0.00 N ATOM 818 CA VAL A 49 3.552 -12.713 -3.577 1.00 0.00 C ATOM 819 C VAL A 49 3.284 -12.286 -5.015 1.00 0.00 C ATOM 820 O VAL A 49 2.546 -12.948 -5.745 1.00 0.00 O ATOM 821 CB VAL A 49 2.428 -12.171 -2.673 1.00 0.00 C ATOM 822 CG1 VAL A 49 1.086 -12.764 -3.072 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.735 -12.460 -1.212 1.00 0.00 C ATOM 0 H VAL A 49 4.880 -11.262 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 49 3.561 -13.801 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 49 2.371 -11.090 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.306 -12.369 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.865 -12.500 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.124 -13.849 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.931 -12.071 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.820 -13.537 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.674 -11.980 -0.936 1.00 0.00 H new ATOM 833 N ILE A 50 3.894 -11.174 -5.415 1.00 0.00 N ATOM 834 CA ILE A 50 3.729 -10.652 -6.764 1.00 0.00 C ATOM 835 C ILE A 50 4.948 -10.961 -7.629 1.00 0.00 C ATOM 836 O ILE A 50 5.215 -10.284 -8.622 1.00 0.00 O ATOM 837 CB ILE A 50 3.480 -9.131 -6.746 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.290 -8.800 -5.845 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.241 -8.605 -8.151 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.315 -7.387 -5.309 1.00 0.00 C ATOM 0 H ILE A 50 4.508 -10.617 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 50 2.858 -11.146 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 50 4.370 -8.644 -6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.367 -8.952 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.273 -9.498 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.068 -7.530 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.115 -8.810 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.369 -9.098 -8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.442 -7.222 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.221 -7.237 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.301 -6.682 -6.140 1.00 0.00 H new ATOM 852 N ASN A 51 5.679 -11.996 -7.247 1.00 0.00 N ATOM 853 CA ASN A 51 6.869 -12.412 -7.982 1.00 0.00 C ATOM 854 C ASN A 51 6.572 -12.540 -9.476 1.00 0.00 C ATOM 855 O ASN A 51 7.462 -12.382 -10.311 1.00 0.00 O ATOM 856 CB ASN A 51 7.392 -13.743 -7.436 1.00 0.00 C ATOM 857 CG ASN A 51 8.871 -13.695 -7.111 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.285 -14.019 -5.998 1.00 0.00 O ATOM 859 ND2 ASN A 51 9.678 -13.288 -8.083 1.00 0.00 N ATOM 0 H ASN A 51 5.470 -12.568 -6.428 1.00 0.00 H new ATOM 0 HA ASN A 51 7.634 -11.647 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.834 -14.008 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.209 -14.529 -8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.684 -13.234 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.292 -13.029 -8.991 1.00 0.00 H new ATOM 866 N GLU A 52 5.314 -12.827 -9.804 1.00 0.00 N ATOM 867 CA GLU A 52 4.901 -12.972 -11.194 1.00 0.00 C ATOM 868 C GLU A 52 4.211 -11.703 -11.693 1.00 0.00 C ATOM 869 O GLU A 52 3.497 -11.040 -10.939 1.00 0.00 O ATOM 870 CB GLU A 52 3.961 -14.171 -11.346 1.00 0.00 C ATOM 871 CG GLU A 52 4.435 -15.411 -10.603 1.00 0.00 C ATOM 872 CD GLU A 52 4.497 -16.638 -11.493 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.686 -16.727 -12.439 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.357 -17.509 -11.245 1.00 0.00 O ATOM 0 H GLU A 52 4.565 -12.963 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 52 5.794 -13.140 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.971 -13.895 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.857 -14.409 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.423 -15.222 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.764 -15.607 -9.767 1.00 0.00 H new ATOM 881 N PRO A 53 4.417 -11.342 -12.973 1.00 0.00 N ATOM 882 CA PRO A 53 3.810 -10.141 -13.562 1.00 0.00 C ATOM 883 C PRO A 53 2.287 -10.144 -13.462 1.00 0.00 C ATOM 884 O PRO A 53 1.654 -9.089 -13.477 1.00 0.00 O ATOM 885 CB PRO A 53 4.244 -10.200 -15.030 1.00 0.00 C ATOM 886 CG PRO A 53 5.458 -11.064 -15.040 1.00 0.00 C ATOM 887 CD PRO A 53 5.256 -12.069 -13.943 1.00 0.00 C ATOM 0 HA PRO A 53 4.128 -9.236 -13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.457 -10.618 -15.658 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.465 -9.205 -15.416 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.579 -11.557 -16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.359 -10.474 -14.869 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.762 -12.970 -14.308 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.203 -12.381 -13.503 1.00 0.00 H new ATOM 895 N SER A 54 1.705 -11.335 -13.366 1.00 0.00 N ATOM 896 CA SER A 54 0.255 -11.474 -13.271 1.00 0.00 C ATOM 897 C SER A 54 -0.303 -10.687 -12.088 1.00 0.00 C ATOM 898 O SER A 54 -1.378 -10.093 -12.180 1.00 0.00 O ATOM 899 CB SER A 54 -0.126 -12.950 -13.138 1.00 0.00 C ATOM 900 OG SER A 54 -0.360 -13.535 -14.407 1.00 0.00 O ATOM 0 H SER A 54 2.215 -12.218 -13.352 1.00 0.00 H new ATOM 0 HA SER A 54 -0.179 -11.068 -14.185 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.672 -13.490 -12.627 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.020 -13.043 -12.521 1.00 0.00 H new ATOM 0 HG SER A 54 -0.600 -14.478 -14.293 1.00 0.00 H new ATOM 906 N ARG A 55 0.428 -10.691 -10.979 1.00 0.00 N ATOM 907 CA ARG A 55 0.001 -9.980 -9.776 1.00 0.00 C ATOM 908 C ARG A 55 0.477 -8.526 -9.778 1.00 0.00 C ATOM 909 O ARG A 55 0.461 -7.861 -8.743 1.00 0.00 O ATOM 910 CB ARG A 55 0.522 -10.698 -8.531 1.00 0.00 C ATOM 911 CG ARG A 55 -0.198 -12.004 -8.234 1.00 0.00 C ATOM 912 CD ARG A 55 0.775 -13.166 -8.108 1.00 0.00 C ATOM 913 NE ARG A 55 0.771 -14.017 -9.295 1.00 0.00 N ATOM 914 CZ ARG A 55 1.236 -15.264 -9.317 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.746 -15.808 -8.218 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.192 -15.968 -10.439 1.00 0.00 N ATOM 0 H ARG A 55 1.319 -11.178 -10.886 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.089 -9.973 -9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.586 -10.900 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.423 -10.035 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.767 -11.904 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.914 -12.214 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.781 -12.780 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.515 -13.763 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 55 0.389 -13.633 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.783 -15.270 -7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.101 -16.764 -8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.802 -15.554 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.548 -16.924 -10.456 1.00 0.00 H new ATOM 930 N LEU A 56 0.898 -8.034 -10.941 1.00 0.00 N ATOM 931 CA LEU A 56 1.374 -6.659 -11.068 1.00 0.00 C ATOM 932 C LEU A 56 0.352 -5.649 -10.539 1.00 0.00 C ATOM 933 O LEU A 56 0.708 -4.731 -9.800 1.00 0.00 O ATOM 934 CB LEU A 56 1.697 -6.348 -12.532 1.00 0.00 C ATOM 935 CG LEU A 56 3.146 -6.612 -12.943 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.247 -6.809 -14.448 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.044 -5.469 -12.492 1.00 0.00 C ATOM 0 H LEU A 56 0.919 -8.568 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 56 2.277 -6.568 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.041 -6.942 -13.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.465 -5.301 -12.725 1.00 0.00 H new ATOM 0 HG LEU A 56 3.481 -7.527 -12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.285 -6.996 -14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.635 -7.660 -14.745 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.893 -5.912 -14.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.072 -5.673 -12.793 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.709 -4.540 -12.953 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.995 -5.374 -11.407 1.00 0.00 H new ATOM 949 N PRO A 57 -0.933 -5.794 -10.918 1.00 0.00 N ATOM 950 CA PRO A 57 -1.995 -4.880 -10.484 1.00 0.00 C ATOM 951 C PRO A 57 -1.903 -4.502 -9.007 1.00 0.00 C ATOM 952 O PRO A 57 -2.329 -3.418 -8.612 1.00 0.00 O ATOM 953 CB PRO A 57 -3.263 -5.682 -10.758 1.00 0.00 C ATOM 954 CG PRO A 57 -2.921 -6.519 -11.941 1.00 0.00 C ATOM 955 CD PRO A 57 -1.456 -6.853 -11.809 1.00 0.00 C ATOM 0 HA PRO A 57 -1.945 -3.924 -11.005 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.537 -6.298 -9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.110 -5.028 -10.965 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.526 -7.425 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.116 -5.981 -12.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.308 -7.845 -11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.955 -6.845 -12.777 1.00 0.00 H new ATOM 963 N LEU A 58 -1.351 -5.396 -8.194 1.00 0.00 N ATOM 964 CA LEU A 58 -1.213 -5.140 -6.763 1.00 0.00 C ATOM 965 C LEU A 58 -0.351 -3.907 -6.505 1.00 0.00 C ATOM 966 O LEU A 58 -0.662 -3.093 -5.638 1.00 0.00 O ATOM 967 CB LEU A 58 -0.611 -6.360 -6.060 1.00 0.00 C ATOM 968 CG LEU A 58 -1.556 -7.074 -5.094 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.989 -8.425 -4.692 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.811 -6.212 -3.868 1.00 0.00 C ATOM 0 H LEU A 58 -0.993 -6.301 -8.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.207 -4.951 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.282 -7.072 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.276 -6.044 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.507 -7.241 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.676 -8.918 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.859 -9.044 -5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.025 -8.284 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.486 -6.734 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.867 -6.014 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.263 -5.269 -4.174 1.00 0.00 H new ATOM 982 N PHE A 59 0.733 -3.777 -7.261 1.00 0.00 N ATOM 983 CA PHE A 59 1.636 -2.642 -7.108 1.00 0.00 C ATOM 984 C PHE A 59 0.909 -1.326 -7.366 1.00 0.00 C ATOM 985 O PHE A 59 0.980 -0.397 -6.560 1.00 0.00 O ATOM 986 CB PHE A 59 2.822 -2.777 -8.066 1.00 0.00 C ATOM 987 CG PHE A 59 3.749 -3.907 -7.720 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.302 -4.003 -6.452 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.065 -4.875 -8.661 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.155 -5.042 -6.130 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.916 -5.916 -8.344 1.00 0.00 C ATOM 992 CZ PHE A 59 5.463 -5.999 -7.077 1.00 0.00 C ATOM 0 H PHE A 59 1.008 -4.442 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 59 2.002 -2.638 -6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.446 -2.924 -9.078 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.385 -1.844 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.064 -3.258 -5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.641 -4.815 -9.653 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.580 -5.105 -5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.154 -6.664 -9.085 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.130 -6.811 -6.828 1.00 0.00 H new ATOM 1002 N ASP A 60 0.209 -1.253 -8.493 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.531 -0.051 -8.860 1.00 0.00 C ATOM 1004 C ASP A 60 -1.805 0.072 -8.031 1.00 0.00 C ATOM 1005 O ASP A 60 -2.308 1.169 -7.810 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.879 -0.077 -10.349 1.00 0.00 C ATOM 1007 CG ASP A 60 -1.404 1.257 -10.842 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -2.512 1.652 -10.420 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -0.707 1.909 -11.648 1.00 0.00 O ATOM 0 H ASP A 60 0.139 -2.013 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 60 0.101 0.814 -8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.007 -0.350 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.627 -0.849 -10.531 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.323 -1.066 -7.591 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.541 -1.103 -6.792 1.00 0.00 C ATOM 1016 C ALA A 61 -3.334 -0.487 -5.408 1.00 0.00 C ATOM 1017 O ALA A 61 -4.097 0.380 -4.983 1.00 0.00 O ATOM 1018 CB ALA A 61 -4.025 -2.537 -6.665 1.00 0.00 C ATOM 0 H ALA A 61 -1.915 -1.983 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.297 -0.506 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.936 -2.562 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.231 -2.941 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.256 -3.139 -6.180 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.310 -0.961 -4.705 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.006 -0.484 -3.358 1.00 0.00 C ATOM 1026 C ILE A 62 -1.363 0.905 -3.366 1.00 0.00 C ATOM 1027 O ILE A 62 -1.580 1.705 -2.457 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.075 -1.463 -2.615 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.583 -2.899 -2.760 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.972 -1.087 -1.145 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.548 -3.942 -2.403 1.00 0.00 C ATOM 0 H ILE A 62 -1.672 -1.680 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.961 -0.421 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.082 -1.399 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.457 -3.033 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.909 -3.059 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.311 -1.788 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.569 -0.078 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.962 -1.125 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.976 -4.937 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.318 -3.834 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.239 -3.808 -1.366 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.551 1.172 -4.380 1.00 0.00 N ATOM 1044 CA ARG A 63 0.155 2.452 -4.497 1.00 0.00 C ATOM 1045 C ARG A 63 -0.730 3.667 -4.172 1.00 0.00 C ATOM 1046 O ARG A 63 -0.358 4.498 -3.345 1.00 0.00 O ATOM 1047 CB ARG A 63 0.729 2.598 -5.907 1.00 0.00 C ATOM 1048 CG ARG A 63 2.228 2.358 -5.982 1.00 0.00 C ATOM 1049 CD ARG A 63 2.939 3.476 -6.726 1.00 0.00 C ATOM 1050 NE ARG A 63 3.127 3.159 -8.139 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.387 4.071 -9.075 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.489 5.353 -8.752 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.545 3.697 -10.338 1.00 0.00 N ATOM 0 H ARG A 63 -0.361 0.519 -5.140 1.00 0.00 H new ATOM 0 HA ARG A 63 0.955 2.437 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.224 1.896 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.511 3.600 -6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.634 2.276 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.420 1.409 -6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.362 4.396 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.909 3.660 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 63 3.055 2.183 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.368 5.646 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.688 6.046 -9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.467 2.712 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.744 4.394 -11.055 1.00 0.00 H new ATOM 1067 N PRO A 64 -1.894 3.811 -4.831 1.00 0.00 N ATOM 1068 CA PRO A 64 -2.793 4.954 -4.618 1.00 0.00 C ATOM 1069 C PRO A 64 -3.148 5.202 -3.152 1.00 0.00 C ATOM 1070 O PRO A 64 -2.999 6.318 -2.655 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.055 4.594 -5.419 1.00 0.00 C ATOM 1072 CG PRO A 64 -3.896 3.160 -5.798 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.420 2.904 -5.857 1.00 0.00 C ATOM 0 HA PRO A 64 -2.313 5.879 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.954 4.744 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.151 5.224 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.375 2.509 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.365 2.958 -6.761 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.181 1.863 -5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.010 3.126 -6.842 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.636 4.173 -2.465 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.025 4.319 -1.064 1.00 0.00 C ATOM 1083 C LEU A 65 -2.819 4.559 -0.156 1.00 0.00 C ATOM 1084 O LEU A 65 -2.980 4.895 1.018 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.805 3.091 -0.585 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.133 1.743 -0.851 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.356 0.795 0.318 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.657 1.136 -2.144 1.00 0.00 C ATOM 0 H LEU A 65 -3.771 3.238 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.668 5.197 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.978 3.187 0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.783 3.092 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.060 1.905 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.871 -0.159 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.932 1.228 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.425 0.635 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.169 0.177 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.734 0.986 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.444 1.809 -2.974 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.613 4.391 -0.691 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.403 4.601 0.094 1.00 0.00 C ATOM 1102 C ILE A 66 0.004 6.077 0.093 1.00 0.00 C ATOM 1103 O ILE A 66 -0.104 6.757 -0.926 1.00 0.00 O ATOM 1104 CB ILE A 66 0.766 3.723 -0.424 1.00 0.00 C ATOM 1105 CG1 ILE A 66 1.531 3.115 0.752 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.715 4.514 -1.319 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.999 1.700 0.496 1.00 0.00 C ATOM 0 H ILE A 66 -1.449 4.112 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.625 4.303 1.119 1.00 0.00 H new ATOM 0 HB ILE A 66 0.336 2.922 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.395 3.741 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.892 3.125 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.520 3.863 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.168 4.898 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.136 5.347 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.534 1.330 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.137 1.062 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.663 1.687 -0.368 1.00 0.00 H new ATOM 1119 N PRO A 67 0.486 6.591 1.240 1.00 0.00 N ATOM 1120 CA PRO A 67 0.916 7.987 1.369 1.00 0.00 C ATOM 1121 C PRO A 67 1.724 8.470 0.190 1.00 0.00 C ATOM 1122 O PRO A 67 2.561 7.759 -0.366 1.00 0.00 O ATOM 1123 CB PRO A 67 1.761 7.968 2.640 1.00 0.00 C ATOM 1124 CG PRO A 67 1.146 6.899 3.471 1.00 0.00 C ATOM 1125 CD PRO A 67 0.659 5.848 2.507 1.00 0.00 C ATOM 0 HA PRO A 67 0.069 8.672 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.806 7.750 2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.737 8.932 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.872 6.481 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.322 7.293 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.379 5.037 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.277 5.401 2.841 1.00 0.00 H new ATOM 1133 N LEU A 68 1.443 9.705 -0.170 1.00 0.00 N ATOM 1134 CA LEU A 68 2.090 10.373 -1.270 1.00 0.00 C ATOM 1135 C LEU A 68 3.609 10.255 -1.174 1.00 0.00 C ATOM 1136 O LEU A 68 4.283 9.996 -2.171 1.00 0.00 O ATOM 1137 CB LEU A 68 1.657 11.825 -1.216 1.00 0.00 C ATOM 1138 CG LEU A 68 0.602 12.221 -2.243 1.00 0.00 C ATOM 1139 CD1 LEU A 68 0.208 13.679 -2.072 1.00 0.00 C ATOM 1140 CD2 LEU A 68 1.104 11.962 -3.657 1.00 0.00 C ATOM 0 H LEU A 68 0.746 10.279 0.304 1.00 0.00 H new ATOM 0 HA LEU A 68 1.804 9.915 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.270 12.036 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.535 12.456 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.283 11.607 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.546 13.942 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.199 13.831 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.086 14.311 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.336 12.251 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.006 12.547 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.329 10.902 -3.775 1.00 0.00 H new ATOM 1152 N LYS A 69 4.141 10.424 0.032 1.00 0.00 N ATOM 1153 CA LYS A 69 5.578 10.310 0.248 1.00 0.00 C ATOM 1154 C LYS A 69 6.005 8.854 0.097 1.00 0.00 C ATOM 1155 O LYS A 69 7.056 8.551 -0.477 1.00 0.00 O ATOM 1156 CB LYS A 69 5.955 10.837 1.634 1.00 0.00 C ATOM 1157 CG LYS A 69 5.209 10.159 2.771 1.00 0.00 C ATOM 1158 CD LYS A 69 4.805 11.154 3.849 1.00 0.00 C ATOM 1159 CE LYS A 69 3.306 11.409 3.841 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.987 12.864 3.875 1.00 0.00 N ATOM 0 H LYS A 69 3.602 10.639 0.871 1.00 0.00 H new ATOM 0 HA LYS A 69 6.098 10.912 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.026 10.704 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.759 11.909 1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.320 9.665 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.838 9.384 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.105 10.775 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.335 12.094 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.867 10.962 2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.850 10.918 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.955 12.993 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.383 13.286 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.400 13.329 3.042 1.00 0.00 H new ATOM 1174 N HIS A 70 5.168 7.953 0.604 1.00 0.00 N ATOM 1175 CA HIS A 70 5.435 6.527 0.517 1.00 0.00 C ATOM 1176 C HIS A 70 5.388 6.072 -0.934 1.00 0.00 C ATOM 1177 O HIS A 70 6.101 5.150 -1.328 1.00 0.00 O ATOM 1178 CB HIS A 70 4.421 5.742 1.349 1.00 0.00 C ATOM 1179 CG HIS A 70 4.568 5.952 2.823 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.809 5.281 3.757 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.397 6.761 3.524 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.163 5.670 4.970 1.00 0.00 C ATOM 1183 NE2 HIS A 70 5.124 6.566 4.856 1.00 0.00 N ATOM 0 H HIS A 70 4.298 8.190 1.080 1.00 0.00 H new ATOM 0 HA HIS A 70 6.432 6.336 0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.414 6.031 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.527 4.680 1.129 1.00 0.00 H new ATOM 0 HD1 HIS A 70 3.087 4.592 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.135 7.434 3.113 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.737 5.314 5.897 1.00 0.00 H new ATOM 1192 N GLN A 71 4.549 6.734 -1.730 1.00 0.00 N ATOM 1193 CA GLN A 71 4.421 6.405 -3.144 1.00 0.00 C ATOM 1194 C GLN A 71 5.770 6.549 -3.837 1.00 0.00 C ATOM 1195 O GLN A 71 6.219 5.644 -4.542 1.00 0.00 O ATOM 1196 CB GLN A 71 3.386 7.313 -3.815 1.00 0.00 C ATOM 1197 CG GLN A 71 1.953 6.841 -3.633 1.00 0.00 C ATOM 1198 CD GLN A 71 1.023 7.374 -4.704 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.847 6.758 -5.755 1.00 0.00 O ATOM 1200 NE2 GLN A 71 0.420 8.529 -4.443 1.00 0.00 N ATOM 0 H GLN A 71 3.950 7.499 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 71 4.084 5.372 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.482 8.320 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.606 7.376 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.929 5.751 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.592 7.156 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.594 9.007 -3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.217 8.938 -5.127 1.00 0.00 H new ATOM 1209 N VAL A 72 6.424 7.684 -3.610 1.00 0.00 N ATOM 1210 CA VAL A 72 7.736 7.935 -4.193 1.00 0.00 C ATOM 1211 C VAL A 72 8.709 6.853 -3.755 1.00 0.00 C ATOM 1212 O VAL A 72 9.331 6.189 -4.585 1.00 0.00 O ATOM 1213 CB VAL A 72 8.300 9.304 -3.777 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.463 9.699 -4.674 1.00 0.00 C ATOM 1215 CG2 VAL A 72 7.215 10.370 -3.800 1.00 0.00 C ATOM 0 H VAL A 72 6.068 8.442 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 72 7.615 7.928 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 72 8.668 9.222 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.848 10.670 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.254 8.953 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.122 9.757 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.640 11.328 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.807 10.452 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.420 10.095 -3.107 1.00 0.00 H new ATOM 1225 N GLU A 73 8.817 6.664 -2.441 1.00 0.00 N ATOM 1226 CA GLU A 73 9.699 5.638 -1.898 1.00 0.00 C ATOM 1227 C GLU A 73 9.311 4.281 -2.467 1.00 0.00 C ATOM 1228 O GLU A 73 10.164 3.427 -2.708 1.00 0.00 O ATOM 1229 CB GLU A 73 9.627 5.613 -0.370 1.00 0.00 C ATOM 1230 CG GLU A 73 10.741 4.807 0.279 1.00 0.00 C ATOM 1231 CD GLU A 73 10.417 4.411 1.707 1.00 0.00 C ATOM 1232 OE1 GLU A 73 10.601 5.251 2.612 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.977 3.260 1.918 1.00 0.00 O ATOM 0 H GLU A 73 8.309 7.203 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 73 10.725 5.869 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.665 6.636 0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.666 5.198 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.926 3.909 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.661 5.391 0.267 1.00 0.00 H new ATOM 1240 N TYR A 74 8.014 4.109 -2.713 1.00 0.00 N ATOM 1241 CA TYR A 74 7.513 2.877 -3.295 1.00 0.00 C ATOM 1242 C TYR A 74 8.150 2.681 -4.661 1.00 0.00 C ATOM 1243 O TYR A 74 8.423 1.557 -5.082 1.00 0.00 O ATOM 1244 CB TYR A 74 5.987 2.923 -3.426 1.00 0.00 C ATOM 1245 CG TYR A 74 5.345 1.559 -3.527 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.378 0.841 -4.716 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.701 0.991 -2.435 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.788 -0.406 -4.812 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.110 -0.255 -2.524 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.156 -0.949 -3.715 1.00 0.00 C ATOM 1251 OH TYR A 74 3.567 -2.188 -3.807 1.00 0.00 O ATOM 0 H TYR A 74 7.297 4.808 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 74 7.771 2.041 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.573 3.447 -2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.724 3.505 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.872 1.263 -5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.662 1.532 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.823 -0.952 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.615 -0.683 -1.665 1.00 0.00 H new ATOM 0 HH TYR A 74 2.593 -2.091 -3.770 1.00 0.00 H new ATOM 1261 N ASP A 75 8.402 3.799 -5.340 1.00 0.00 N ATOM 1262 CA ASP A 75 9.028 3.773 -6.652 1.00 0.00 C ATOM 1263 C ASP A 75 10.508 3.425 -6.525 1.00 0.00 C ATOM 1264 O ASP A 75 11.074 2.750 -7.387 1.00 0.00 O ATOM 1265 CB ASP A 75 8.866 5.126 -7.348 1.00 0.00 C ATOM 1266 CG ASP A 75 9.303 5.089 -8.799 1.00 0.00 C ATOM 1267 OD1 ASP A 75 10.053 4.159 -9.169 1.00 0.00 O ATOM 1268 OD2 ASP A 75 8.896 5.986 -9.566 1.00 0.00 O ATOM 0 H ASP A 75 8.180 4.734 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 75 8.536 3.009 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.822 5.436 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.449 5.877 -6.815 1.00 0.00 H new ATOM 1273 N GLN A 76 11.130 3.887 -5.442 1.00 0.00 N ATOM 1274 CA GLN A 76 12.544 3.622 -5.201 1.00 0.00 C ATOM 1275 C GLN A 76 12.788 2.133 -4.968 1.00 0.00 C ATOM 1276 O GLN A 76 13.841 1.605 -5.325 1.00 0.00 O ATOM 1277 CB GLN A 76 13.037 4.426 -3.997 1.00 0.00 C ATOM 1278 CG GLN A 76 12.997 5.929 -4.212 1.00 0.00 C ATOM 1279 CD GLN A 76 14.237 6.452 -4.911 1.00 0.00 C ATOM 1280 OE1 GLN A 76 15.019 5.684 -5.468 1.00 0.00 O ATOM 1281 NE2 GLN A 76 14.421 7.766 -4.884 1.00 0.00 N ATOM 0 H GLN A 76 10.676 4.446 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 76 13.101 3.928 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.427 4.175 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.059 4.128 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.117 6.184 -4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.890 6.427 -3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.746 8.366 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.237 8.176 -5.337 1.00 0.00 H new ATOM 1290 N LEU A 77 11.812 1.464 -4.364 1.00 0.00 N ATOM 1291 CA LEU A 77 11.923 0.038 -4.079 1.00 0.00 C ATOM 1292 C LEU A 77 11.617 -0.794 -5.320 1.00 0.00 C ATOM 1293 O LEU A 77 12.278 -1.797 -5.587 1.00 0.00 O ATOM 1294 CB LEU A 77 10.976 -0.354 -2.944 1.00 0.00 C ATOM 1295 CG LEU A 77 11.411 0.105 -1.550 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.256 -0.002 -0.568 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.598 -0.714 -1.068 1.00 0.00 C ATOM 0 H LEU A 77 10.934 1.887 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 77 12.950 -0.164 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.990 0.060 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.872 -1.439 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 77 11.714 1.150 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.584 0.329 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.432 0.627 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.922 -1.038 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.895 -0.375 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.320 -1.767 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.432 -0.588 -1.759 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.854 7.224 5.671 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.202 6.975 6.168 1.00 0.00 C ATOM 1400 C ARG B 103 -7.870 5.849 5.386 1.00 0.00 C ATOM 1401 O ARG B 103 -8.642 5.067 5.943 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.048 8.247 6.075 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.388 8.137 6.786 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.867 9.490 7.288 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.458 9.400 8.621 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.689 8.954 8.858 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -12.462 8.555 7.855 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.150 8.907 10.100 1.00 0.00 N ATOM 0 HA ARG B 103 -7.126 6.674 7.213 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.487 9.079 6.501 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.221 8.483 5.025 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.129 7.718 6.105 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.300 7.447 7.625 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.029 10.187 7.309 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.601 9.896 6.592 1.00 0.00 H new ATOM 0 HE ARG B 103 -9.894 9.697 9.417 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -12.113 8.589 6.897 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -13.405 8.214 8.042 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -11.561 9.213 10.875 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -13.094 8.565 10.281 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.569 5.772 4.096 1.00 0.00 N ATOM 1423 CA TYR B 104 -8.141 4.741 3.238 1.00 0.00 C ATOM 1424 C TYR B 104 -7.666 3.354 3.663 1.00 0.00 C ATOM 1425 O TYR B 104 -8.442 2.398 3.678 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.767 4.997 1.777 1.00 0.00 C ATOM 1427 CG TYR B 104 -8.515 6.155 1.157 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -9.860 6.047 0.832 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.873 7.360 0.896 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -10.547 7.102 0.264 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -8.552 8.421 0.329 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.888 8.288 0.016 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.568 9.343 -0.549 1.00 0.00 O ATOM 0 H TYR B 104 -6.932 6.411 3.620 1.00 0.00 H new ATOM 0 HA TYR B 104 -9.226 4.780 3.339 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.696 5.190 1.713 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.963 4.095 1.197 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -10.379 5.120 1.027 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.827 7.468 1.140 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -11.593 6.999 0.016 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -8.039 9.350 0.132 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.960 10.104 -0.657 1.00 0.00 H new ATOM 1443 N LEU B 105 -6.386 3.253 4.009 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.811 1.984 4.436 1.00 0.00 C ATOM 1445 C LEU B 105 -6.528 1.455 5.675 1.00 0.00 C ATOM 1446 O LEU B 105 -6.975 0.309 5.702 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.315 2.149 4.726 1.00 0.00 C ATOM 1448 CG LEU B 105 -3.384 1.626 3.631 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.134 2.487 3.538 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -3.014 0.174 3.898 1.00 0.00 C ATOM 0 H LEU B 105 -5.729 4.034 4.002 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.938 1.263 3.628 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -4.106 3.207 4.886 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -4.082 1.633 5.658 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.908 1.679 2.677 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.483 2.100 2.754 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.416 3.513 3.302 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.606 2.466 4.491 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.351 -0.183 3.110 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -2.507 0.099 4.860 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.918 -0.435 3.915 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.635 2.297 6.697 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.301 1.916 7.936 1.00 0.00 C ATOM 1464 C ARG B 106 -8.747 1.509 7.673 1.00 0.00 C ATOM 1465 O ARG B 106 -9.280 0.618 8.333 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.254 3.071 8.940 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.849 2.643 10.341 1.00 0.00 C ATOM 1468 CD ARG B 106 -6.273 3.805 11.133 1.00 0.00 C ATOM 1469 NE ARG B 106 -6.470 3.638 12.571 1.00 0.00 N ATOM 1470 CZ ARG B 106 -5.831 4.353 13.496 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -4.952 5.280 13.136 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -6.071 4.138 14.781 1.00 0.00 N ATOM 0 H ARG B 106 -6.268 3.249 6.691 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.774 1.059 8.356 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.552 3.824 8.582 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.235 3.544 8.983 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -7.716 2.239 10.864 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.112 1.842 10.279 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -5.208 3.895 10.921 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -6.743 4.733 10.808 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.136 2.932 12.885 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -4.763 5.447 12.148 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -4.465 5.825 13.848 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.745 3.425 15.062 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -5.582 4.685 15.490 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.377 2.165 6.703 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.762 1.869 6.354 1.00 0.00 C ATOM 1488 C GLU B 107 -10.911 0.412 5.925 1.00 0.00 C ATOM 1489 O GLU B 107 -11.682 -0.344 6.518 1.00 0.00 O ATOM 1490 CB GLU B 107 -11.240 2.796 5.237 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.514 4.217 5.702 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.876 4.368 6.351 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.736 3.488 6.138 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.081 5.365 7.074 1.00 0.00 O ATOM 0 H GLU B 107 -8.950 2.905 6.145 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.378 2.035 7.238 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.488 2.819 4.448 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -12.149 2.384 4.798 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -10.743 4.518 6.411 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.445 4.893 4.850 1.00 0.00 H new ATOM 1501 N ALA B 108 -10.167 0.024 4.895 1.00 0.00 N ATOM 1502 CA ALA B 108 -10.215 -1.345 4.392 1.00 0.00 C ATOM 1503 C ALA B 108 -9.621 -2.314 5.406 1.00 0.00 C ATOM 1504 O ALA B 108 -10.118 -3.427 5.585 1.00 0.00 O ATOM 1505 CB ALA B 108 -9.477 -1.447 3.066 1.00 0.00 C ATOM 0 H ALA B 108 -9.524 0.636 4.393 1.00 0.00 H new ATOM 0 HA ALA B 108 -11.259 -1.615 4.233 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.521 -2.474 2.703 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.944 -0.784 2.338 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -8.436 -1.156 3.206 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.554 -1.881 6.071 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.885 -2.702 7.072 1.00 0.00 C ATOM 1513 C ILE B 109 -8.851 -3.092 8.191 1.00 0.00 C ATOM 1514 O ILE B 109 -9.032 -4.273 8.483 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.660 -1.966 7.664 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.507 -1.970 6.657 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.215 -2.597 8.976 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.332 -1.115 7.078 1.00 0.00 C ATOM 0 H ILE B 109 -8.134 -0.962 5.933 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.539 -3.609 6.577 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.952 -0.936 7.870 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -5.166 -2.995 6.512 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.876 -1.617 5.694 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.352 -2.056 9.366 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -7.030 -2.548 9.698 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.943 -3.639 8.805 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.554 -1.166 6.317 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.658 -0.081 7.195 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.937 -1.481 8.026 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.470 -2.092 8.811 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.416 -2.344 9.893 1.00 0.00 C ATOM 1532 C GLN B 110 -11.645 -3.078 9.373 1.00 0.00 C ATOM 1533 O GLN B 110 -12.223 -3.907 10.075 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.830 -1.032 10.565 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.146 -0.792 11.901 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.836 -1.508 13.046 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.211 -2.268 13.785 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -12.134 -1.269 13.198 1.00 0.00 N ATOM 0 H GLN B 110 -9.335 -1.107 8.585 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.923 -2.974 10.633 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.602 -0.203 9.895 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.910 -1.034 10.714 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -9.110 -1.126 11.840 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.124 0.278 12.107 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -12.613 -0.631 12.562 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -12.651 -1.723 13.951 1.00 0.00 H new ATOM 1547 N GLU B 111 -12.032 -2.782 8.136 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.186 -3.434 7.530 1.00 0.00 C ATOM 1549 C GLU B 111 -13.032 -4.944 7.624 1.00 0.00 C ATOM 1550 O GLU B 111 -13.951 -5.652 8.034 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.340 -3.004 6.069 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.679 -2.352 5.765 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.679 -0.862 6.047 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.157 -0.458 7.107 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -15.200 -0.099 5.206 1.00 0.00 O ATOM 0 H GLU B 111 -11.567 -2.099 7.538 1.00 0.00 H new ATOM 0 HA GLU B 111 -14.084 -3.134 8.070 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.540 -2.307 5.818 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -13.216 -3.876 5.427 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.931 -2.520 4.718 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -15.456 -2.831 6.361 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.848 -5.424 7.267 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.557 -6.846 7.337 1.00 0.00 C ATOM 1564 C TYR B 112 -11.467 -7.276 8.793 1.00 0.00 C ATOM 1565 O TYR B 112 -11.859 -8.386 9.148 1.00 0.00 O ATOM 1566 CB TYR B 112 -10.252 -7.167 6.605 1.00 0.00 C ATOM 1567 CG TYR B 112 -10.217 -8.555 6.005 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -11.062 -8.902 4.957 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -9.336 -9.518 6.485 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -11.032 -10.170 4.407 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -9.300 -10.787 5.937 1.00 0.00 C ATOM 1572 CZ TYR B 112 -10.151 -11.108 4.900 1.00 0.00 C ATOM 1573 OH TYR B 112 -10.117 -12.370 4.354 1.00 0.00 O ATOM 0 H TYR B 112 -11.077 -4.850 6.927 1.00 0.00 H new ATOM 0 HA TYR B 112 -12.362 -7.396 6.850 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -10.101 -6.434 5.812 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.420 -7.060 7.301 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.753 -8.169 4.566 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.670 -9.271 7.298 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -11.696 -10.424 3.594 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -8.609 -11.523 6.319 1.00 0.00 H new ATOM 0 HH TYR B 112 -9.440 -12.908 4.815 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.969 -6.376 9.638 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.859 -6.659 11.060 1.00 0.00 C ATOM 1585 C ASP B 113 -12.243 -6.937 11.638 1.00 0.00 C ATOM 1586 O ASP B 113 -12.390 -7.698 12.594 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.209 -5.484 11.793 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.535 -5.909 13.083 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -9.947 -6.938 13.658 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -8.594 -5.211 13.519 1.00 0.00 O ATOM 0 H ASP B 113 -10.638 -5.452 9.362 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.230 -7.539 11.195 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.474 -5.014 11.140 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.967 -4.732 12.013 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.258 -6.316 11.036 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.634 -6.498 11.475 1.00 0.00 C ATOM 1597 C ASN B 114 -15.220 -7.781 10.891 1.00 0.00 C ATOM 1598 O ASN B 114 -16.013 -8.463 11.539 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.488 -5.295 11.067 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.751 -4.354 12.224 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -14.867 -4.092 13.041 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.973 -3.839 12.303 1.00 0.00 N ATOM 0 H ASN B 114 -13.149 -5.683 10.243 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.638 -6.579 12.562 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.986 -4.751 10.267 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.438 -5.647 10.665 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -17.209 -3.200 13.062 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.675 -4.083 11.605 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.823 -8.105 9.662 1.00 0.00 N ATOM 1610 CA ILE B 115 -15.311 -9.308 9.001 1.00 0.00 C ATOM 1611 C ILE B 115 -14.834 -10.562 9.731 1.00 0.00 C ATOM 1612 O ILE B 115 -15.521 -11.584 9.744 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.852 -9.365 7.528 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.426 -8.181 6.748 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -15.271 -10.679 6.883 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.795 -7.990 5.386 1.00 0.00 C ATOM 0 H ILE B 115 -14.168 -7.553 9.108 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.400 -9.271 9.027 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.764 -9.305 7.504 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.500 -8.324 6.625 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.290 -7.271 7.333 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.937 -10.698 5.845 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.819 -11.510 7.424 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.357 -10.771 6.917 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -15.251 -7.133 4.891 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.725 -7.815 5.502 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.953 -8.884 4.783 1.00 0.00 H new