USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=14 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 -78:sc= -0.391! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -3.04 K(o=-3.4,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= -0.375 (180deg=-1.27!) USER MOD Single : A 11 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-0.083) USER MOD Single : A 12 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.961) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -111:sc= 0.317 (180deg=-3.53!) USER MOD Single : A 25 TYR OH : rot -16:sc= -3.01 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.7) USER MOD Single : A 35 GLN : amide:sc= -0.214 K(o=-0.21,f=-2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -113:sc= -1.47 (180deg=-2.49!) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -0.255 (180deg=-1.24!) USER MOD Single : A 51 ASN : amide:sc= -1.6 K(o=-1.6,f=0.048) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc=-0.00274 (180deg=-0.0867) USER MOD Single : A 71 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.77) USER MOD Single : A 74 TYR OH : rot -84:sc= -1.3 USER MOD Single : A 76 GLN : amide:sc= -1.75 K(o=-1.8,f=-7.1!) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -2.34 K(o=-2.3,f=-4.5!) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.459 3.378 1.922 1.00 0.00 N ATOM 33 CA ARG A 3 -17.004 2.029 1.974 1.00 0.00 C ATOM 34 C ARG A 3 -16.656 1.253 0.708 1.00 0.00 C ATOM 35 O ARG A 3 -16.222 0.102 0.773 1.00 0.00 O ATOM 36 CB ARG A 3 -18.523 2.076 2.163 1.00 0.00 C ATOM 37 CG ARG A 3 -19.002 1.352 3.411 1.00 0.00 C ATOM 38 CD ARG A 3 -20.351 0.688 3.187 1.00 0.00 C ATOM 39 NE ARG A 3 -20.886 0.108 4.418 1.00 0.00 N ATOM 40 CZ ARG A 3 -21.857 -0.802 4.446 1.00 0.00 C ATOM 41 NH1 ARG A 3 -22.401 -1.238 3.318 1.00 0.00 N ATOM 42 NH2 ARG A 3 -22.285 -1.277 5.608 1.00 0.00 N ATOM 0 HA ARG A 3 -16.558 1.515 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.843 3.117 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.004 1.635 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.269 0.599 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.076 2.059 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.056 1.422 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.251 -0.092 2.432 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.493 0.419 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.076 -0.876 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.145 -1.935 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -21.870 -0.945 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.029 -1.974 5.631 1.00 0.00 H new ATOM 56 N LYS A 4 -16.848 1.888 -0.443 1.00 0.00 N ATOM 57 CA LYS A 4 -16.553 1.257 -1.724 1.00 0.00 C ATOM 58 C LYS A 4 -15.055 1.048 -1.892 1.00 0.00 C ATOM 59 O LYS A 4 -14.621 0.082 -2.521 1.00 0.00 O ATOM 60 CB LYS A 4 -17.098 2.102 -2.875 1.00 0.00 C ATOM 61 CG LYS A 4 -17.691 1.278 -4.008 1.00 0.00 C ATOM 62 CD LYS A 4 -18.439 2.152 -5.001 1.00 0.00 C ATOM 63 CE LYS A 4 -19.597 2.882 -4.339 1.00 0.00 C ATOM 64 NZ LYS A 4 -19.226 4.269 -3.945 1.00 0.00 N ATOM 0 H LYS A 4 -17.207 2.840 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.042 0.283 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.862 2.777 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.295 2.723 -3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.895 0.740 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.369 0.529 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.753 2.877 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.815 1.536 -5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.445 2.913 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.919 2.328 -3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.642 4.489 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.191 4.349 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.586 4.939 -4.654 1.00 0.00 H new ATOM 78 N VAL A 5 -14.263 1.950 -1.320 1.00 0.00 N ATOM 79 CA VAL A 5 -12.811 1.847 -1.406 1.00 0.00 C ATOM 80 C VAL A 5 -12.356 0.466 -0.953 1.00 0.00 C ATOM 81 O VAL A 5 -11.409 -0.102 -1.499 1.00 0.00 O ATOM 82 CB VAL A 5 -12.113 2.919 -0.546 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.606 2.866 -0.739 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.653 4.305 -0.877 1.00 0.00 C ATOM 0 H VAL A 5 -14.601 2.756 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.533 2.007 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.327 2.711 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.133 3.631 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.236 1.884 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.367 3.045 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.149 5.049 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.473 4.524 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.724 4.335 -0.678 1.00 0.00 H new ATOM 94 N ALA A 6 -13.051 -0.074 0.043 1.00 0.00 N ATOM 95 CA ALA A 6 -12.740 -1.394 0.568 1.00 0.00 C ATOM 96 C ALA A 6 -13.165 -2.477 -0.417 1.00 0.00 C ATOM 97 O ALA A 6 -12.468 -3.476 -0.599 1.00 0.00 O ATOM 98 CB ALA A 6 -13.418 -1.604 1.913 1.00 0.00 C ATOM 0 H ALA A 6 -13.836 0.387 0.503 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.661 -1.462 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.175 -2.597 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.068 -0.851 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.498 -1.515 1.794 1.00 0.00 H new ATOM 104 N ARG A 7 -14.317 -2.270 -1.051 1.00 0.00 N ATOM 105 CA ARG A 7 -14.840 -3.226 -2.020 1.00 0.00 C ATOM 106 C ARG A 7 -13.965 -3.274 -3.264 1.00 0.00 C ATOM 107 O ARG A 7 -13.744 -4.339 -3.839 1.00 0.00 O ATOM 108 CB ARG A 7 -16.279 -2.863 -2.401 1.00 0.00 C ATOM 109 CG ARG A 7 -17.250 -4.028 -2.291 1.00 0.00 C ATOM 110 CD ARG A 7 -17.922 -4.069 -0.927 1.00 0.00 C ATOM 111 NE ARG A 7 -19.367 -4.253 -1.034 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.149 -4.593 -0.013 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.628 -4.790 1.194 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.453 -4.739 -0.196 1.00 0.00 N ATOM 0 H ARG A 7 -14.905 -1.448 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.834 -4.214 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.623 -2.052 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.291 -2.486 -3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.009 -3.945 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.718 -4.964 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.496 -4.881 -0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.713 -3.143 -0.392 1.00 0.00 H new ATOM 0 HE ARG A 7 -19.802 -4.112 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.625 -4.681 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.232 -5.051 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.858 -4.591 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -22.052 -5.000 0.587 1.00 0.00 H new ATOM 128 N GLU A 8 -13.467 -2.116 -3.677 1.00 0.00 N ATOM 129 CA GLU A 8 -12.614 -2.034 -4.855 1.00 0.00 C ATOM 130 C GLU A 8 -11.243 -2.631 -4.564 1.00 0.00 C ATOM 131 O GLU A 8 -10.680 -3.347 -5.391 1.00 0.00 O ATOM 132 CB GLU A 8 -12.474 -0.580 -5.312 1.00 0.00 C ATOM 133 CG GLU A 8 -13.158 -0.293 -6.639 1.00 0.00 C ATOM 134 CD GLU A 8 -12.883 1.109 -7.145 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.538 2.055 -6.657 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.014 1.263 -8.028 1.00 0.00 O ATOM 0 H GLU A 8 -13.638 -1.223 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.078 -2.608 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.892 0.075 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.415 -0.335 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.820 -1.016 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.233 -0.430 -6.526 1.00 0.00 H new ATOM 143 N PHE A 9 -10.716 -2.341 -3.380 1.00 0.00 N ATOM 144 CA PHE A 9 -9.415 -2.859 -2.983 1.00 0.00 C ATOM 145 C PHE A 9 -9.486 -4.367 -2.778 1.00 0.00 C ATOM 146 O PHE A 9 -8.602 -5.106 -3.212 1.00 0.00 O ATOM 147 CB PHE A 9 -8.936 -2.177 -1.699 1.00 0.00 C ATOM 148 CG PHE A 9 -7.514 -2.505 -1.338 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.525 -2.525 -2.310 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.165 -2.792 -0.027 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.216 -2.826 -1.981 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.858 -3.093 0.306 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.883 -3.111 -0.671 1.00 0.00 C ATOM 0 H PHE A 9 -11.169 -1.752 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.702 -2.645 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.033 -1.097 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.588 -2.471 -0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.780 -2.303 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.923 -2.780 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.455 -2.838 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.599 -3.314 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.862 -3.347 -0.412 1.00 0.00 H new ATOM 163 N ARG A 10 -10.549 -4.820 -2.117 1.00 0.00 N ATOM 164 CA ARG A 10 -10.737 -6.241 -1.860 1.00 0.00 C ATOM 165 C ARG A 10 -11.124 -6.977 -3.139 1.00 0.00 C ATOM 166 O ARG A 10 -10.656 -8.088 -3.388 1.00 0.00 O ATOM 167 CB ARG A 10 -11.802 -6.457 -0.781 1.00 0.00 C ATOM 168 CG ARG A 10 -13.201 -6.037 -1.202 1.00 0.00 C ATOM 169 CD ARG A 10 -13.968 -7.195 -1.821 1.00 0.00 C ATOM 170 NE ARG A 10 -14.886 -6.747 -2.866 1.00 0.00 N ATOM 171 CZ ARG A 10 -15.897 -7.479 -3.327 1.00 0.00 C ATOM 172 NH1 ARG A 10 -16.124 -8.694 -2.840 1.00 0.00 N ATOM 173 NH2 ARG A 10 -16.685 -6.997 -4.279 1.00 0.00 N ATOM 0 H ARG A 10 -11.291 -4.223 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.791 -6.647 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.817 -7.512 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.519 -5.899 0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.745 -5.661 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.136 -5.218 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.264 -7.913 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.529 -7.715 -1.044 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.743 -5.819 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.522 -9.071 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.901 -9.250 -3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.516 -6.065 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.460 -7.558 -4.632 1.00 0.00 H new ATOM 187 N HIS A 11 -11.978 -6.357 -3.950 1.00 0.00 N ATOM 188 CA HIS A 11 -12.413 -6.969 -5.201 1.00 0.00 C ATOM 189 C HIS A 11 -11.233 -7.149 -6.150 1.00 0.00 C ATOM 190 O HIS A 11 -11.059 -8.213 -6.744 1.00 0.00 O ATOM 191 CB HIS A 11 -13.498 -6.123 -5.868 1.00 0.00 C ATOM 192 CG HIS A 11 -14.032 -6.721 -7.132 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.909 -6.061 -7.967 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.812 -7.931 -7.702 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.205 -6.837 -8.994 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.551 -7.975 -8.857 1.00 0.00 N ATOM 0 H HIS A 11 -12.380 -5.438 -3.765 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.829 -7.950 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.320 -5.983 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.093 -5.135 -6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.174 -8.714 -7.319 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.869 -6.583 -9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.589 -8.761 -9.506 1.00 0.00 H new ATOM 205 N LYS A 12 -10.418 -6.107 -6.284 1.00 0.00 N ATOM 206 CA LYS A 12 -9.251 -6.161 -7.156 1.00 0.00 C ATOM 207 C LYS A 12 -8.311 -7.276 -6.713 1.00 0.00 C ATOM 208 O LYS A 12 -7.920 -8.129 -7.511 1.00 0.00 O ATOM 209 CB LYS A 12 -8.515 -4.820 -7.153 1.00 0.00 C ATOM 210 CG LYS A 12 -8.707 -4.018 -8.431 1.00 0.00 C ATOM 211 CD LYS A 12 -7.571 -4.258 -9.414 1.00 0.00 C ATOM 212 CE LYS A 12 -7.099 -2.959 -10.048 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.179 -2.207 -9.150 1.00 0.00 N ATOM 0 H LYS A 12 -10.544 -5.218 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.590 -6.369 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.861 -4.227 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.450 -4.999 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.655 -4.291 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.764 -2.956 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.738 -4.737 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.901 -4.945 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.592 -3.177 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.962 -2.337 -10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.334 -1.186 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.366 -2.471 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.194 -2.438 -9.390 1.00 0.00 H new ATOM 227 N VAL A 13 -7.961 -7.268 -5.431 1.00 0.00 N ATOM 228 CA VAL A 13 -7.074 -8.283 -4.875 1.00 0.00 C ATOM 229 C VAL A 13 -7.594 -9.681 -5.181 1.00 0.00 C ATOM 230 O VAL A 13 -6.820 -10.597 -5.453 1.00 0.00 O ATOM 231 CB VAL A 13 -6.917 -8.120 -3.350 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.980 -9.179 -2.787 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.415 -6.725 -3.012 1.00 0.00 C ATOM 0 H VAL A 13 -8.278 -6.570 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.099 -8.149 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.896 -8.254 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.884 -9.044 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.384 -10.170 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.000 -9.082 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.310 -6.628 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.447 -6.562 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.127 -5.984 -3.375 1.00 0.00 H new ATOM 243 N ASP A 14 -8.910 -9.838 -5.139 1.00 0.00 N ATOM 244 CA ASP A 14 -9.530 -11.127 -5.417 1.00 0.00 C ATOM 245 C ASP A 14 -9.456 -11.461 -6.905 1.00 0.00 C ATOM 246 O ASP A 14 -9.417 -12.629 -7.283 1.00 0.00 O ATOM 247 CB ASP A 14 -10.989 -11.125 -4.955 1.00 0.00 C ATOM 248 CG ASP A 14 -11.574 -12.522 -4.887 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.266 -13.248 -3.917 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.340 -12.890 -5.800 1.00 0.00 O ATOM 0 H ASP A 14 -9.568 -9.091 -4.916 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.981 -11.891 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.056 -10.658 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.583 -10.518 -5.638 1.00 0.00 H new ATOM 255 N PHE A 15 -9.435 -10.429 -7.745 1.00 0.00 N ATOM 256 CA PHE A 15 -9.365 -10.623 -9.188 1.00 0.00 C ATOM 257 C PHE A 15 -7.998 -11.156 -9.599 1.00 0.00 C ATOM 258 O PHE A 15 -7.875 -11.907 -10.567 1.00 0.00 O ATOM 259 CB PHE A 15 -9.655 -9.311 -9.917 1.00 0.00 C ATOM 260 CG PHE A 15 -10.392 -9.496 -11.213 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.701 -9.735 -12.389 1.00 0.00 C ATOM 262 CD2 PHE A 15 -11.776 -9.431 -11.253 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.377 -9.904 -13.583 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.456 -9.602 -12.443 1.00 0.00 C ATOM 265 CZ PHE A 15 -11.757 -9.839 -13.610 1.00 0.00 C ATOM 0 H PHE A 15 -9.465 -9.453 -7.451 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.120 -11.358 -9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.241 -8.664 -9.264 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.714 -8.798 -10.114 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.623 -9.790 -12.373 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.329 -9.245 -10.344 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.827 -10.087 -14.494 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -13.535 -9.550 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.287 -9.973 -14.541 1.00 0.00 H new ATOM 275 N LEU A 16 -6.974 -10.744 -8.863 1.00 0.00 N ATOM 276 CA LEU A 16 -5.605 -11.159 -9.151 1.00 0.00 C ATOM 277 C LEU A 16 -5.217 -12.394 -8.346 1.00 0.00 C ATOM 278 O LEU A 16 -4.599 -13.322 -8.868 1.00 0.00 O ATOM 279 CB LEU A 16 -4.633 -10.016 -8.847 1.00 0.00 C ATOM 280 CG LEU A 16 -5.211 -8.604 -8.998 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.508 -7.639 -8.058 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.088 -8.133 -10.440 1.00 0.00 C ATOM 0 H LEU A 16 -7.065 -10.121 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.549 -11.412 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.268 -10.134 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.771 -10.110 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.268 -8.631 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.930 -6.641 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.645 -7.969 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.444 -7.613 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.503 -7.129 -10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.037 -8.120 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.636 -8.813 -11.093 1.00 0.00 H new ATOM 294 N ILE A 17 -5.579 -12.393 -7.071 1.00 0.00 N ATOM 295 CA ILE A 17 -5.268 -13.505 -6.182 1.00 0.00 C ATOM 296 C ILE A 17 -6.353 -14.570 -6.234 1.00 0.00 C ATOM 297 O ILE A 17 -6.103 -15.707 -6.631 1.00 0.00 O ATOM 298 CB ILE A 17 -5.063 -13.006 -4.727 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.730 -12.277 -4.609 1.00 0.00 C ATOM 300 CG2 ILE A 17 -5.101 -14.152 -3.726 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.728 -10.890 -5.215 1.00 0.00 C ATOM 0 H ILE A 17 -6.091 -11.631 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.337 -13.956 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.882 -12.325 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.461 -12.202 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.957 -12.874 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.954 -13.761 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.067 -14.653 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.309 -14.864 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.743 -10.439 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.964 -10.957 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.475 -10.274 -4.715 1.00 0.00 H new ATOM 313 N GLU A 18 -7.557 -14.197 -5.831 1.00 0.00 N ATOM 314 CA GLU A 18 -8.683 -15.116 -5.825 1.00 0.00 C ATOM 315 C GLU A 18 -8.438 -16.309 -4.910 1.00 0.00 C ATOM 316 O GLU A 18 -9.257 -17.223 -4.818 1.00 0.00 O ATOM 317 CB GLU A 18 -8.991 -15.589 -7.239 1.00 0.00 C ATOM 318 CG GLU A 18 -10.163 -16.536 -7.289 1.00 0.00 C ATOM 319 CD GLU A 18 -10.737 -16.694 -8.683 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.719 -15.707 -9.448 1.00 0.00 O ATOM 321 OE2 GLU A 18 -11.209 -17.803 -9.009 1.00 0.00 O ATOM 0 H GLU A 18 -7.780 -13.258 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.544 -14.574 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.199 -14.725 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.112 -16.082 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.851 -17.512 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.944 -16.175 -6.619 1.00 0.00 H new ATOM 328 N ASN A 19 -7.313 -16.277 -4.235 1.00 0.00 N ATOM 329 CA ASN A 19 -6.932 -17.338 -3.312 1.00 0.00 C ATOM 330 C ASN A 19 -7.108 -16.883 -1.866 1.00 0.00 C ATOM 331 O ASN A 19 -6.728 -15.771 -1.505 1.00 0.00 O ATOM 332 CB ASN A 19 -5.481 -17.760 -3.555 1.00 0.00 C ATOM 333 CG ASN A 19 -5.337 -19.258 -3.741 1.00 0.00 C ATOM 334 OD1 ASN A 19 -5.677 -19.799 -4.792 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.831 -19.936 -2.717 1.00 0.00 N ATOM 0 H ASN A 19 -6.633 -15.520 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.583 -18.194 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.100 -17.249 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.867 -17.441 -2.713 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.711 -20.947 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.562 -19.446 -1.864 1.00 0.00 H new ATOM 342 N ASP A 20 -7.690 -17.750 -1.043 1.00 0.00 N ATOM 343 CA ASP A 20 -7.920 -17.433 0.362 1.00 0.00 C ATOM 344 C ASP A 20 -6.602 -17.338 1.123 1.00 0.00 C ATOM 345 O ASP A 20 -6.343 -16.351 1.812 1.00 0.00 O ATOM 346 CB ASP A 20 -8.823 -18.487 1.006 1.00 0.00 C ATOM 347 CG ASP A 20 -8.374 -19.903 0.700 1.00 0.00 C ATOM 348 OD1 ASP A 20 -8.565 -20.349 -0.450 1.00 0.00 O ATOM 349 OD2 ASP A 20 -7.833 -20.563 1.611 1.00 0.00 O ATOM 0 H ASP A 20 -8.011 -18.676 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.416 -16.464 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.836 -18.339 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.845 -18.349 0.653 1.00 0.00 H new ATOM 354 N ALA A 21 -5.770 -18.367 0.995 1.00 0.00 N ATOM 355 CA ALA A 21 -4.480 -18.392 1.674 1.00 0.00 C ATOM 356 C ALA A 21 -3.618 -17.209 1.250 1.00 0.00 C ATOM 357 O ALA A 21 -2.978 -16.563 2.081 1.00 0.00 O ATOM 358 CB ALA A 21 -3.760 -19.703 1.391 1.00 0.00 C ATOM 0 H ALA A 21 -5.966 -19.192 0.429 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.657 -18.314 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.798 -19.708 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.366 -20.535 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.599 -19.805 0.318 1.00 0.00 H new ATOM 364 N GLU A 22 -3.613 -16.929 -0.045 1.00 0.00 N ATOM 365 CA GLU A 22 -2.835 -15.820 -0.579 1.00 0.00 C ATOM 366 C GLU A 22 -3.418 -14.494 -0.119 1.00 0.00 C ATOM 367 O GLU A 22 -2.684 -13.594 0.288 1.00 0.00 O ATOM 368 CB GLU A 22 -2.786 -15.885 -2.106 1.00 0.00 C ATOM 369 CG GLU A 22 -2.161 -17.161 -2.644 1.00 0.00 C ATOM 370 CD GLU A 22 -2.006 -17.144 -4.153 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.691 -16.069 -4.704 1.00 0.00 O ATOM 372 OE2 GLU A 22 -2.198 -18.206 -4.781 1.00 0.00 O ATOM 0 H GLU A 22 -4.138 -17.453 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.816 -15.899 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.799 -15.794 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.223 -15.030 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.183 -17.304 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.777 -18.013 -2.355 1.00 0.00 H new ATOM 379 N LYS A 23 -4.740 -14.384 -0.149 1.00 0.00 N ATOM 380 CA LYS A 23 -5.397 -13.170 0.308 1.00 0.00 C ATOM 381 C LYS A 23 -5.019 -12.929 1.759 1.00 0.00 C ATOM 382 O LYS A 23 -4.953 -11.791 2.217 1.00 0.00 O ATOM 383 CB LYS A 23 -6.917 -13.286 0.161 1.00 0.00 C ATOM 384 CG LYS A 23 -7.645 -11.957 0.294 1.00 0.00 C ATOM 385 CD LYS A 23 -9.050 -12.033 -0.279 1.00 0.00 C ATOM 386 CE LYS A 23 -9.042 -11.908 -1.794 1.00 0.00 C ATOM 387 NZ LYS A 23 -8.864 -13.228 -2.460 1.00 0.00 N ATOM 0 H LYS A 23 -5.371 -15.113 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.070 -12.328 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.147 -13.721 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.295 -13.975 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.694 -11.671 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.082 -11.179 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.510 -12.979 0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.662 -11.239 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.977 -11.457 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.239 -11.237 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.930 -13.264 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.934 -13.986 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.604 -13.357 -3.179 1.00 0.00 H new ATOM 401 N ASP A 24 -4.745 -14.022 2.467 1.00 0.00 N ATOM 402 CA ASP A 24 -4.341 -13.948 3.856 1.00 0.00 C ATOM 403 C ASP A 24 -2.968 -13.295 3.971 1.00 0.00 C ATOM 404 O ASP A 24 -2.794 -12.344 4.733 1.00 0.00 O ATOM 405 CB ASP A 24 -4.317 -15.346 4.481 1.00 0.00 C ATOM 406 CG ASP A 24 -5.429 -15.546 5.492 1.00 0.00 C ATOM 407 OD1 ASP A 24 -5.778 -14.571 6.191 1.00 0.00 O ATOM 408 OD2 ASP A 24 -5.950 -16.677 5.586 1.00 0.00 O ATOM 0 H ASP A 24 -4.798 -14.970 2.094 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.066 -13.339 4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.406 -16.095 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.355 -15.507 4.967 1.00 0.00 H new ATOM 413 N TYR A 25 -1.988 -13.802 3.214 1.00 0.00 N ATOM 414 CA TYR A 25 -0.648 -13.229 3.270 1.00 0.00 C ATOM 415 C TYR A 25 -0.622 -11.821 2.704 1.00 0.00 C ATOM 416 O TYR A 25 0.119 -10.968 3.192 1.00 0.00 O ATOM 417 CB TYR A 25 0.418 -14.136 2.620 1.00 0.00 C ATOM 418 CG TYR A 25 0.267 -14.466 1.144 1.00 0.00 C ATOM 419 CD1 TYR A 25 0.037 -13.489 0.178 1.00 0.00 C ATOM 420 CD2 TYR A 25 0.402 -15.784 0.718 1.00 0.00 C ATOM 421 CE1 TYR A 25 -0.067 -13.825 -1.161 1.00 0.00 C ATOM 422 CE2 TYR A 25 0.306 -16.122 -0.617 1.00 0.00 C ATOM 423 CZ TYR A 25 0.068 -15.140 -1.550 1.00 0.00 C ATOM 424 OH TYR A 25 -0.028 -15.472 -2.883 1.00 0.00 O ATOM 0 H TYR A 25 -2.097 -14.588 2.573 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.381 -13.162 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.390 -13.662 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.439 -15.076 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.061 -12.456 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.586 -16.559 1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.253 -13.059 -1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.417 -17.151 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.438 -14.731 -3.376 1.00 0.00 H new ATOM 434 N LEU A 26 -1.457 -11.556 1.709 1.00 0.00 N ATOM 435 CA LEU A 26 -1.526 -10.217 1.151 1.00 0.00 C ATOM 436 C LEU A 26 -2.135 -9.308 2.194 1.00 0.00 C ATOM 437 O LEU A 26 -1.590 -8.251 2.513 1.00 0.00 O ATOM 438 CB LEU A 26 -2.346 -10.178 -0.143 1.00 0.00 C ATOM 439 CG LEU A 26 -2.008 -9.023 -1.091 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.065 -8.892 -2.175 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.870 -7.714 -0.324 1.00 0.00 C ATOM 0 H LEU A 26 -2.084 -12.237 1.280 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.521 -9.884 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.202 -11.118 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.403 -10.117 0.116 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.052 -9.245 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.806 -8.066 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.113 -9.817 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.035 -8.699 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.630 -6.909 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.808 -7.488 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.073 -7.807 0.414 1.00 0.00 H new ATOM 453 N TYR A 27 -3.244 -9.758 2.772 1.00 0.00 N ATOM 454 CA TYR A 27 -3.884 -9.004 3.834 1.00 0.00 C ATOM 455 C TYR A 27 -2.892 -8.835 4.977 1.00 0.00 C ATOM 456 O TYR A 27 -2.933 -7.849 5.711 1.00 0.00 O ATOM 457 CB TYR A 27 -5.147 -9.714 4.330 1.00 0.00 C ATOM 458 CG TYR A 27 -6.422 -9.186 3.712 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.691 -7.823 3.687 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.355 -10.049 3.154 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.854 -7.336 3.123 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.521 -9.570 2.587 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.766 -8.213 2.574 1.00 0.00 C ATOM 464 OH TYR A 27 -9.926 -7.733 2.012 1.00 0.00 O ATOM 0 H TYR A 27 -3.711 -10.631 2.524 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.183 -8.028 3.451 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.063 -10.779 4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.209 -9.612 5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.979 -7.133 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.167 -11.112 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.048 -6.274 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.236 -10.255 2.156 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.458 -8.482 1.670 1.00 0.00 H new ATOM 474 N ASP A 28 -1.977 -9.806 5.104 1.00 0.00 N ATOM 475 CA ASP A 28 -0.956 -9.756 6.135 1.00 0.00 C ATOM 476 C ASP A 28 0.080 -8.691 5.798 1.00 0.00 C ATOM 477 O ASP A 28 0.610 -8.027 6.689 1.00 0.00 O ATOM 478 CB ASP A 28 -0.277 -11.120 6.282 1.00 0.00 C ATOM 479 CG ASP A 28 0.059 -11.447 7.724 1.00 0.00 C ATOM 480 OD1 ASP A 28 0.517 -10.537 8.448 1.00 0.00 O ATOM 481 OD2 ASP A 28 -0.133 -12.613 8.129 1.00 0.00 O ATOM 0 H ASP A 28 -1.931 -10.629 4.503 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.432 -9.499 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.931 -11.894 5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.636 -11.134 5.687 1.00 0.00 H new ATOM 486 N VAL A 29 0.361 -8.521 4.504 1.00 0.00 N ATOM 487 CA VAL A 29 1.329 -7.523 4.070 1.00 0.00 C ATOM 488 C VAL A 29 0.860 -6.122 4.446 1.00 0.00 C ATOM 489 O VAL A 29 1.582 -5.371 5.104 1.00 0.00 O ATOM 490 CB VAL A 29 1.572 -7.590 2.550 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.574 -6.531 2.113 1.00 0.00 C ATOM 492 CG2 VAL A 29 2.050 -8.978 2.148 1.00 0.00 C ATOM 0 H VAL A 29 -0.065 -9.058 3.749 1.00 0.00 H new ATOM 0 HA VAL A 29 2.267 -7.742 4.579 1.00 0.00 H new ATOM 0 HB VAL A 29 0.627 -7.390 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.729 -6.599 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.190 -5.542 2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.522 -6.693 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.217 -9.008 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.982 -9.206 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.294 -9.716 2.419 1.00 0.00 H new ATOM 502 N LEU A 30 -0.356 -5.780 4.036 1.00 0.00 N ATOM 503 CA LEU A 30 -0.921 -4.472 4.342 1.00 0.00 C ATOM 504 C LEU A 30 -1.056 -4.295 5.851 1.00 0.00 C ATOM 505 O LEU A 30 -0.796 -3.217 6.389 1.00 0.00 O ATOM 506 CB LEU A 30 -2.286 -4.310 3.671 1.00 0.00 C ATOM 507 CG LEU A 30 -2.295 -4.542 2.157 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.565 -5.266 1.735 1.00 0.00 C ATOM 509 CD2 LEU A 30 -2.161 -3.222 1.415 1.00 0.00 C ATOM 0 H LEU A 30 -0.968 -6.389 3.492 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.248 -3.706 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.986 -5.005 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.655 -3.304 3.871 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.441 -5.169 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.554 -5.422 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.619 -6.230 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.433 -4.665 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.169 -3.406 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.994 -2.571 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.223 -2.742 1.694 1.00 0.00 H new ATOM 521 N ARG A 31 -1.458 -5.366 6.526 1.00 0.00 N ATOM 522 CA ARG A 31 -1.624 -5.339 7.974 1.00 0.00 C ATOM 523 C ARG A 31 -0.289 -5.075 8.661 1.00 0.00 C ATOM 524 O ARG A 31 -0.221 -4.327 9.637 1.00 0.00 O ATOM 525 CB ARG A 31 -2.214 -6.662 8.468 1.00 0.00 C ATOM 526 CG ARG A 31 -2.872 -6.561 9.834 1.00 0.00 C ATOM 527 CD ARG A 31 -4.079 -7.480 9.940 1.00 0.00 C ATOM 528 NE ARG A 31 -3.757 -8.851 9.554 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.581 -9.882 9.726 1.00 0.00 C ATOM 530 NH1 ARG A 31 -5.774 -9.704 10.279 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.211 -11.098 9.345 1.00 0.00 N ATOM 0 H ARG A 31 -1.675 -6.264 6.093 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.312 -4.531 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.949 -7.015 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.423 -7.410 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.148 -6.818 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.180 -5.531 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.454 -7.470 10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.879 -7.102 9.304 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.848 -9.029 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.065 -8.772 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.400 -10.499 10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.295 -11.243 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.843 -11.888 9.477 1.00 0.00 H new ATOM 545 N MET A 32 0.772 -5.688 8.144 1.00 0.00 N ATOM 546 CA MET A 32 2.103 -5.507 8.709 1.00 0.00 C ATOM 547 C MET A 32 2.614 -4.099 8.429 1.00 0.00 C ATOM 548 O MET A 32 3.198 -3.454 9.298 1.00 0.00 O ATOM 549 CB MET A 32 3.072 -6.543 8.135 1.00 0.00 C ATOM 550 CG MET A 32 3.744 -7.402 9.196 1.00 0.00 C ATOM 551 SD MET A 32 5.383 -6.799 9.643 1.00 0.00 S ATOM 552 CE MET A 32 5.324 -6.951 11.426 1.00 0.00 C ATOM 0 H MET A 32 0.735 -6.312 7.338 1.00 0.00 H new ATOM 0 HA MET A 32 2.040 -5.647 9.788 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.532 -7.190 7.444 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.839 -6.029 7.556 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.116 -7.430 10.087 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.825 -8.426 8.831 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.270 -6.615 11.851 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.512 -6.338 11.817 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.154 -7.993 11.697 1.00 0.00 H new ATOM 562 N TYR A 33 2.381 -3.628 7.208 1.00 0.00 N ATOM 563 CA TYR A 33 2.810 -2.295 6.806 1.00 0.00 C ATOM 564 C TYR A 33 2.175 -1.230 7.694 1.00 0.00 C ATOM 565 O TYR A 33 2.768 -0.183 7.945 1.00 0.00 O ATOM 566 CB TYR A 33 2.445 -2.042 5.340 1.00 0.00 C ATOM 567 CG TYR A 33 2.771 -0.645 4.856 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.860 0.054 5.366 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.989 -0.026 3.889 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.159 1.329 4.925 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.283 1.248 3.442 1.00 0.00 C ATOM 572 CZ TYR A 33 3.368 1.921 3.962 1.00 0.00 C ATOM 573 OH TYR A 33 3.663 3.190 3.520 1.00 0.00 O ATOM 0 H TYR A 33 1.896 -4.152 6.479 1.00 0.00 H new ATOM 0 HA TYR A 33 3.893 -2.236 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.971 -2.764 4.716 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.378 -2.222 5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.482 -0.407 6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.137 -0.549 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.007 1.859 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.666 1.714 2.689 1.00 0.00 H new ATOM 0 HH TYR A 33 3.352 3.846 4.178 1.00 0.00 H new ATOM 583 N HIS A 34 0.963 -1.506 8.167 1.00 0.00 N ATOM 584 CA HIS A 34 0.248 -0.571 9.027 1.00 0.00 C ATOM 585 C HIS A 34 0.666 -0.739 10.486 1.00 0.00 C ATOM 586 O HIS A 34 0.643 0.217 11.262 1.00 0.00 O ATOM 587 CB HIS A 34 -1.261 -0.773 8.891 1.00 0.00 C ATOM 588 CG HIS A 34 -2.049 0.494 9.019 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.165 1.413 7.997 1.00 0.00 N ATOM 590 CD2 HIS A 34 -2.762 0.994 10.055 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.916 2.424 8.401 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.290 2.192 9.646 1.00 0.00 N ATOM 0 H HIS A 34 0.457 -2.369 7.969 1.00 0.00 H new ATOM 0 HA HIS A 34 0.503 0.440 8.710 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.473 -1.227 7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.595 -1.477 9.653 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.891 0.535 11.024 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.178 3.291 7.813 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.877 2.805 10.212 1.00 0.00 H new ATOM 601 N GLN A 35 1.040 -1.961 10.854 1.00 0.00 N ATOM 602 CA GLN A 35 1.455 -2.252 12.222 1.00 0.00 C ATOM 603 C GLN A 35 2.881 -1.781 12.479 1.00 0.00 C ATOM 604 O GLN A 35 3.122 -0.924 13.329 1.00 0.00 O ATOM 605 CB GLN A 35 1.342 -3.754 12.500 1.00 0.00 C ATOM 606 CG GLN A 35 0.095 -4.135 13.281 1.00 0.00 C ATOM 607 CD GLN A 35 0.392 -4.454 14.734 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.501 -4.227 15.216 1.00 0.00 O ATOM 609 NE2 GLN A 35 -0.601 -4.986 15.437 1.00 0.00 N ATOM 0 H GLN A 35 1.064 -2.764 10.225 1.00 0.00 H new ATOM 0 HA GLN A 35 0.792 -1.710 12.896 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.346 -4.292 11.552 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.222 -4.080 13.055 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.624 -3.317 13.232 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.373 -5.000 12.811 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.504 -5.157 14.995 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.460 -5.224 16.419 1.00 0.00 H new ATOM 618 N THR A 36 3.824 -2.354 11.744 1.00 0.00 N ATOM 619 CA THR A 36 5.232 -2.003 11.893 1.00 0.00 C ATOM 620 C THR A 36 5.533 -0.634 11.287 1.00 0.00 C ATOM 621 O THR A 36 6.522 0.004 11.643 1.00 0.00 O ATOM 622 CB THR A 36 6.117 -3.066 11.240 1.00 0.00 C ATOM 623 OG1 THR A 36 7.488 -2.760 11.424 1.00 0.00 O ATOM 624 CG2 THR A 36 5.876 -3.219 9.754 1.00 0.00 C ATOM 0 H THR A 36 3.640 -3.066 11.037 1.00 0.00 H new ATOM 0 HA THR A 36 5.450 -1.958 12.960 1.00 0.00 H new ATOM 0 HB THR A 36 5.851 -4.002 11.731 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.037 -3.452 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.537 -3.989 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.839 -3.506 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.079 -2.272 9.253 1.00 0.00 H new ATOM 632 N MET A 37 4.677 -0.189 10.371 1.00 0.00 N ATOM 633 CA MET A 37 4.862 1.105 9.722 1.00 0.00 C ATOM 634 C MET A 37 6.177 1.138 8.948 1.00 0.00 C ATOM 635 O MET A 37 6.933 2.107 9.025 1.00 0.00 O ATOM 636 CB MET A 37 4.836 2.229 10.761 1.00 0.00 C ATOM 637 CG MET A 37 3.439 2.741 11.067 1.00 0.00 C ATOM 638 SD MET A 37 2.619 3.435 9.618 1.00 0.00 S ATOM 639 CE MET A 37 0.909 3.038 9.973 1.00 0.00 C ATOM 0 H MET A 37 3.852 -0.703 10.063 1.00 0.00 H new ATOM 0 HA MET A 37 4.043 1.254 9.019 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.293 1.871 11.683 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.447 3.057 10.403 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.836 1.924 11.464 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.498 3.502 11.845 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.548 2.306 9.250 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.833 2.624 10.978 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.304 3.942 9.907 1.00 0.00 H new ATOM 649 N ASP A 38 6.444 0.070 8.202 1.00 0.00 N ATOM 650 CA ASP A 38 7.668 -0.027 7.415 1.00 0.00 C ATOM 651 C ASP A 38 7.355 -0.305 5.949 1.00 0.00 C ATOM 652 O ASP A 38 6.866 -1.382 5.601 1.00 0.00 O ATOM 653 CB ASP A 38 8.568 -1.130 7.973 1.00 0.00 C ATOM 654 CG ASP A 38 10.041 -0.789 7.857 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.521 0.049 8.650 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.716 -1.359 6.974 1.00 0.00 O ATOM 0 H ASP A 38 5.829 -0.740 8.126 1.00 0.00 H new ATOM 0 HA ASP A 38 8.188 0.929 7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.319 -1.303 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.370 -2.060 7.441 1.00 0.00 H new ATOM 661 N VAL A 39 7.641 0.670 5.093 1.00 0.00 N ATOM 662 CA VAL A 39 7.393 0.532 3.663 1.00 0.00 C ATOM 663 C VAL A 39 8.316 -0.515 3.045 1.00 0.00 C ATOM 664 O VAL A 39 8.002 -1.097 2.006 1.00 0.00 O ATOM 665 CB VAL A 39 7.589 1.869 2.923 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.165 1.743 1.466 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.820 2.984 3.617 1.00 0.00 C ATOM 0 H VAL A 39 8.045 1.566 5.365 1.00 0.00 H new ATOM 0 HA VAL A 39 6.356 0.214 3.553 1.00 0.00 H new ATOM 0 HB VAL A 39 8.649 2.123 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.311 2.698 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.767 0.978 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.113 1.463 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.971 3.920 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.758 2.740 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.179 3.092 4.640 1.00 0.00 H new ATOM 677 N ALA A 40 9.451 -0.759 3.693 1.00 0.00 N ATOM 678 CA ALA A 40 10.409 -1.739 3.206 1.00 0.00 C ATOM 679 C ALA A 40 9.896 -3.147 3.448 1.00 0.00 C ATOM 680 O ALA A 40 10.214 -4.075 2.703 1.00 0.00 O ATOM 681 CB ALA A 40 11.759 -1.539 3.880 1.00 0.00 C ATOM 0 H ALA A 40 9.727 -0.291 4.556 1.00 0.00 H new ATOM 0 HA ALA A 40 10.535 -1.599 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.466 -2.280 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.131 -0.538 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.648 -1.656 4.958 1.00 0.00 H new ATOM 687 N VAL A 41 9.091 -3.300 4.493 1.00 0.00 N ATOM 688 CA VAL A 41 8.527 -4.594 4.829 1.00 0.00 C ATOM 689 C VAL A 41 7.339 -4.917 3.928 1.00 0.00 C ATOM 690 O VAL A 41 7.150 -6.063 3.522 1.00 0.00 O ATOM 691 CB VAL A 41 8.085 -4.655 6.306 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.495 -6.018 6.640 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.256 -4.339 7.224 1.00 0.00 C ATOM 0 H VAL A 41 8.817 -2.543 5.119 1.00 0.00 H new ATOM 0 HA VAL A 41 9.310 -5.336 4.673 1.00 0.00 H new ATOM 0 HB VAL A 41 7.310 -3.904 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.191 -6.036 7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.628 -6.204 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.244 -6.791 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.927 -4.386 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.052 -5.066 7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.629 -3.338 7.007 1.00 0.00 H new ATOM 703 N LEU A 42 6.546 -3.897 3.614 1.00 0.00 N ATOM 704 CA LEU A 42 5.385 -4.077 2.754 1.00 0.00 C ATOM 705 C LEU A 42 5.827 -4.441 1.338 1.00 0.00 C ATOM 706 O LEU A 42 5.211 -5.278 0.679 1.00 0.00 O ATOM 707 CB LEU A 42 4.516 -2.809 2.747 1.00 0.00 C ATOM 708 CG LEU A 42 4.740 -1.848 1.574 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.986 -2.326 0.343 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.310 -0.439 1.950 1.00 0.00 C ATOM 0 H LEU A 42 6.687 -2.941 3.942 1.00 0.00 H new ATOM 0 HA LEU A 42 4.783 -4.896 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.468 -3.110 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.693 -2.266 3.675 1.00 0.00 H new ATOM 0 HG LEU A 42 5.805 -1.831 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.156 -1.632 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.341 -3.317 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.920 -2.372 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.476 0.230 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.252 -0.439 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.894 -0.096 2.804 1.00 0.00 H new ATOM 722 N VAL A 43 6.906 -3.810 0.881 1.00 0.00 N ATOM 723 CA VAL A 43 7.435 -4.072 -0.451 1.00 0.00 C ATOM 724 C VAL A 43 7.951 -5.503 -0.554 1.00 0.00 C ATOM 725 O VAL A 43 7.634 -6.218 -1.504 1.00 0.00 O ATOM 726 CB VAL A 43 8.572 -3.095 -0.812 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.070 -3.347 -2.227 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.109 -1.655 -0.652 1.00 0.00 C ATOM 0 H VAL A 43 7.429 -3.115 1.414 1.00 0.00 H new ATOM 0 HA VAL A 43 6.616 -3.928 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 43 9.401 -3.266 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.872 -2.647 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.445 -4.367 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.250 -3.208 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.924 -0.980 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.261 -1.470 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.809 -1.482 0.382 1.00 0.00 H new ATOM 738 N GLY A 44 8.741 -5.920 0.433 1.00 0.00 N ATOM 739 CA GLY A 44 9.279 -7.269 0.431 1.00 0.00 C ATOM 740 C GLY A 44 8.190 -8.318 0.317 1.00 0.00 C ATOM 741 O GLY A 44 8.235 -9.181 -0.564 1.00 0.00 O ATOM 0 H GLY A 44 9.017 -5.349 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.976 -7.379 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.846 -7.434 1.347 1.00 0.00 H new ATOM 745 N ASP A 45 7.204 -8.239 1.202 1.00 0.00 N ATOM 746 CA ASP A 45 6.095 -9.181 1.190 1.00 0.00 C ATOM 747 C ASP A 45 5.361 -9.114 -0.142 1.00 0.00 C ATOM 748 O ASP A 45 4.975 -10.140 -0.705 1.00 0.00 O ATOM 749 CB ASP A 45 5.128 -8.883 2.339 1.00 0.00 C ATOM 750 CG ASP A 45 5.840 -8.733 3.669 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.768 -9.527 3.938 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.470 -7.826 4.441 1.00 0.00 O ATOM 0 H ASP A 45 7.151 -7.533 1.936 1.00 0.00 H new ATOM 0 HA ASP A 45 6.494 -10.187 1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.578 -7.968 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.395 -9.686 2.411 1.00 0.00 H new ATOM 757 N LEU A 46 5.178 -7.897 -0.651 1.00 0.00 N ATOM 758 CA LEU A 46 4.499 -7.700 -1.924 1.00 0.00 C ATOM 759 C LEU A 46 5.223 -8.447 -3.037 1.00 0.00 C ATOM 760 O LEU A 46 4.601 -8.889 -4.001 1.00 0.00 O ATOM 761 CB LEU A 46 4.403 -6.211 -2.260 1.00 0.00 C ATOM 762 CG LEU A 46 3.132 -5.517 -1.767 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.111 -4.063 -2.213 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.890 -6.245 -2.265 1.00 0.00 C ATOM 0 H LEU A 46 5.490 -7.037 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 46 3.489 -8.100 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.266 -5.701 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.467 -6.093 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 46 3.130 -5.545 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.200 -3.585 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.978 -3.544 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.140 -4.016 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.998 -5.734 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.885 -6.253 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.896 -7.270 -1.895 1.00 0.00 H new ATOM 776 N LYS A 47 6.535 -8.600 -2.893 1.00 0.00 N ATOM 777 CA LYS A 47 7.325 -9.315 -3.888 1.00 0.00 C ATOM 778 C LYS A 47 7.016 -10.804 -3.811 1.00 0.00 C ATOM 779 O LYS A 47 6.696 -11.442 -4.818 1.00 0.00 O ATOM 780 CB LYS A 47 8.820 -9.079 -3.663 1.00 0.00 C ATOM 781 CG LYS A 47 9.262 -7.648 -3.923 1.00 0.00 C ATOM 782 CD LYS A 47 8.807 -7.161 -5.290 1.00 0.00 C ATOM 783 CE LYS A 47 9.873 -6.312 -5.962 1.00 0.00 C ATOM 784 NZ LYS A 47 11.172 -7.033 -6.067 1.00 0.00 N ATOM 0 H LYS A 47 7.071 -8.241 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 47 7.064 -8.940 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.070 -9.345 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.385 -9.748 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.856 -6.995 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.348 -7.584 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.570 -8.017 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.891 -6.580 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.535 -6.026 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.014 -5.391 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.678 -6.715 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.749 -6.832 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.997 -8.056 -6.131 1.00 0.00 H new ATOM 798 N LEU A 48 7.091 -11.348 -2.599 1.00 0.00 N ATOM 799 CA LEU A 48 6.799 -12.757 -2.375 1.00 0.00 C ATOM 800 C LEU A 48 5.368 -13.081 -2.798 1.00 0.00 C ATOM 801 O LEU A 48 5.031 -14.238 -3.051 1.00 0.00 O ATOM 802 CB LEU A 48 7.002 -13.116 -0.902 1.00 0.00 C ATOM 803 CG LEU A 48 8.455 -13.084 -0.421 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.565 -12.342 0.903 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.002 -14.498 -0.288 1.00 0.00 C ATOM 0 H LEU A 48 7.352 -10.833 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 48 7.486 -13.349 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.418 -12.427 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.600 -14.114 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 48 9.051 -12.551 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.605 -12.330 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.213 -11.318 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.956 -12.845 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.036 -14.457 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.402 -15.054 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.960 -14.997 -1.256 1.00 0.00 H new ATOM 817 N VAL A 49 4.534 -12.047 -2.882 1.00 0.00 N ATOM 818 CA VAL A 49 3.144 -12.211 -3.281 1.00 0.00 C ATOM 819 C VAL A 49 2.973 -11.852 -4.752 1.00 0.00 C ATOM 820 O VAL A 49 2.096 -12.379 -5.435 1.00 0.00 O ATOM 821 CB VAL A 49 2.213 -11.334 -2.418 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.804 -11.293 -2.992 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.202 -11.829 -0.981 1.00 0.00 C ATOM 0 H VAL A 49 4.801 -11.084 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 49 2.871 -13.256 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 49 2.600 -10.315 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.172 -10.667 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.834 -10.879 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.395 -12.303 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.541 -11.200 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.846 -12.859 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.212 -11.783 -0.573 1.00 0.00 H new ATOM 833 N ILE A 50 3.821 -10.948 -5.229 1.00 0.00 N ATOM 834 CA ILE A 50 3.773 -10.510 -6.616 1.00 0.00 C ATOM 835 C ILE A 50 4.942 -11.074 -7.418 1.00 0.00 C ATOM 836 O ILE A 50 5.314 -10.541 -8.464 1.00 0.00 O ATOM 837 CB ILE A 50 3.778 -8.973 -6.719 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.668 -8.376 -5.854 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.617 -8.536 -8.163 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.893 -6.922 -5.507 1.00 0.00 C ATOM 0 H ILE A 50 4.551 -10.504 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 50 2.841 -10.890 -7.035 1.00 0.00 H new ATOM 0 HB ILE A 50 4.737 -8.607 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.717 -8.474 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.585 -8.953 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.623 -7.447 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.440 -8.933 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.672 -8.913 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.068 -6.563 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.828 -6.820 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.946 -6.333 -6.423 1.00 0.00 H new ATOM 852 N ASN A 51 5.512 -12.161 -6.923 1.00 0.00 N ATOM 853 CA ASN A 51 6.636 -12.812 -7.588 1.00 0.00 C ATOM 854 C ASN A 51 6.332 -13.052 -9.066 1.00 0.00 C ATOM 855 O ASN A 51 7.238 -13.105 -9.897 1.00 0.00 O ATOM 856 CB ASN A 51 6.963 -14.139 -6.903 1.00 0.00 C ATOM 857 CG ASN A 51 5.741 -15.020 -6.730 1.00 0.00 C ATOM 858 OD1 ASN A 51 5.112 -15.029 -5.671 1.00 0.00 O ATOM 859 ND2 ASN A 51 5.396 -15.765 -7.773 1.00 0.00 N ATOM 0 H ASN A 51 5.215 -12.615 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 51 7.499 -12.150 -7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.711 -14.672 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.405 -13.941 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.581 -16.376 -7.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.946 -15.727 -8.631 1.00 0.00 H new ATOM 866 N GLU A 52 5.048 -13.196 -9.386 1.00 0.00 N ATOM 867 CA GLU A 52 4.622 -13.429 -10.761 1.00 0.00 C ATOM 868 C GLU A 52 4.061 -12.148 -11.380 1.00 0.00 C ATOM 869 O GLU A 52 3.467 -11.324 -10.685 1.00 0.00 O ATOM 870 CB GLU A 52 3.567 -14.534 -10.811 1.00 0.00 C ATOM 871 CG GLU A 52 4.134 -15.928 -10.602 1.00 0.00 C ATOM 872 CD GLU A 52 3.503 -16.958 -11.518 1.00 0.00 C ATOM 873 OE1 GLU A 52 2.258 -17.043 -11.546 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.254 -17.681 -12.206 1.00 0.00 O ATOM 0 H GLU A 52 4.285 -13.155 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 52 5.493 -13.742 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.813 -14.340 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.061 -14.498 -11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.211 -15.907 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.980 -16.227 -9.565 1.00 0.00 H new ATOM 881 N PRO A 53 4.248 -11.962 -12.699 1.00 0.00 N ATOM 882 CA PRO A 53 3.757 -10.771 -13.405 1.00 0.00 C ATOM 883 C PRO A 53 2.248 -10.591 -13.266 1.00 0.00 C ATOM 884 O PRO A 53 1.739 -9.472 -13.331 1.00 0.00 O ATOM 885 CB PRO A 53 4.127 -11.037 -14.869 1.00 0.00 C ATOM 886 CG PRO A 53 5.224 -12.043 -14.814 1.00 0.00 C ATOM 887 CD PRO A 53 4.948 -12.889 -13.605 1.00 0.00 C ATOM 0 HA PRO A 53 4.193 -9.857 -13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.272 -11.416 -15.429 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.454 -10.123 -15.365 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.243 -12.650 -15.719 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.196 -11.556 -14.736 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.332 -13.754 -13.851 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.868 -13.269 -13.161 1.00 0.00 H new ATOM 895 N SER A 54 1.540 -11.698 -13.084 1.00 0.00 N ATOM 896 CA SER A 54 0.088 -11.665 -12.942 1.00 0.00 C ATOM 897 C SER A 54 -0.333 -10.822 -11.741 1.00 0.00 C ATOM 898 O SER A 54 -1.339 -10.114 -11.790 1.00 0.00 O ATOM 899 CB SER A 54 -0.464 -13.084 -12.798 1.00 0.00 C ATOM 900 OG SER A 54 0.062 -13.940 -13.797 1.00 0.00 O ATOM 0 H SER A 54 1.947 -12.632 -13.031 1.00 0.00 H new ATOM 0 HA SER A 54 -0.323 -11.208 -13.842 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.216 -13.476 -11.812 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.552 -13.063 -12.868 1.00 0.00 H new ATOM 0 HG SER A 54 -0.305 -14.841 -13.682 1.00 0.00 H new ATOM 906 N ARG A 55 0.439 -10.906 -10.661 1.00 0.00 N ATOM 907 CA ARG A 55 0.140 -10.155 -9.446 1.00 0.00 C ATOM 908 C ARG A 55 0.771 -8.762 -9.470 1.00 0.00 C ATOM 909 O ARG A 55 0.901 -8.117 -8.431 1.00 0.00 O ATOM 910 CB ARG A 55 0.630 -10.928 -8.220 1.00 0.00 C ATOM 911 CG ARG A 55 -0.336 -12.011 -7.760 1.00 0.00 C ATOM 912 CD ARG A 55 0.396 -13.287 -7.375 1.00 0.00 C ATOM 913 NE ARG A 55 -0.086 -14.442 -8.128 1.00 0.00 N ATOM 914 CZ ARG A 55 0.322 -15.691 -7.912 1.00 0.00 C ATOM 915 NH1 ARG A 55 1.214 -15.950 -6.964 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.167 -16.683 -8.642 1.00 0.00 N ATOM 0 H ARG A 55 1.276 -11.486 -10.603 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.941 -10.029 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.593 -11.384 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.796 -10.228 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.910 -11.649 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.049 -12.226 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.464 -13.159 -7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.268 -13.471 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.776 -14.282 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.590 -15.190 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.523 -16.909 -6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.856 -16.490 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.145 -17.640 -8.477 1.00 0.00 H new ATOM 930 N LEU A 56 1.161 -8.303 -10.654 1.00 0.00 N ATOM 931 CA LEU A 56 1.777 -6.987 -10.801 1.00 0.00 C ATOM 932 C LEU A 56 0.828 -5.867 -10.362 1.00 0.00 C ATOM 933 O LEU A 56 1.240 -4.936 -9.670 1.00 0.00 O ATOM 934 CB LEU A 56 2.207 -6.765 -12.252 1.00 0.00 C ATOM 935 CG LEU A 56 3.614 -7.257 -12.590 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.763 -7.463 -14.091 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.658 -6.275 -12.080 1.00 0.00 C ATOM 0 H LEU A 56 1.062 -8.822 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 56 2.653 -6.958 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.495 -7.267 -12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.148 -5.700 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 56 3.771 -8.215 -12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.771 -7.813 -14.312 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.039 -8.204 -14.430 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.586 -6.519 -14.607 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.654 -6.641 -12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.501 -5.302 -12.547 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.568 -6.177 -10.998 1.00 0.00 H new ATOM 949 N PRO A 57 -0.457 -5.933 -10.761 1.00 0.00 N ATOM 950 CA PRO A 57 -1.451 -4.911 -10.407 1.00 0.00 C ATOM 951 C PRO A 57 -1.416 -4.516 -8.929 1.00 0.00 C ATOM 952 O PRO A 57 -1.860 -3.430 -8.566 1.00 0.00 O ATOM 953 CB PRO A 57 -2.776 -5.585 -10.750 1.00 0.00 C ATOM 954 CG PRO A 57 -2.442 -6.507 -11.871 1.00 0.00 C ATOM 955 CD PRO A 57 -1.046 -7.001 -11.597 1.00 0.00 C ATOM 0 HA PRO A 57 -1.271 -3.976 -10.938 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.179 -6.128 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.529 -4.854 -11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.148 -7.336 -11.918 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.493 -5.991 -12.830 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.055 -7.959 -11.077 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.483 -7.144 -12.519 1.00 0.00 H new ATOM 963 N LEU A 58 -0.895 -5.399 -8.083 1.00 0.00 N ATOM 964 CA LEU A 58 -0.819 -5.128 -6.648 1.00 0.00 C ATOM 965 C LEU A 58 -0.111 -3.802 -6.365 1.00 0.00 C ATOM 966 O LEU A 58 -0.520 -3.049 -5.483 1.00 0.00 O ATOM 967 CB LEU A 58 -0.096 -6.268 -5.928 1.00 0.00 C ATOM 968 CG LEU A 58 -0.994 -7.163 -5.071 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.184 -8.282 -4.437 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.699 -6.342 -4.002 1.00 0.00 C ATOM 0 H LEU A 58 -0.520 -6.305 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.839 -5.055 -6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.405 -6.887 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.680 -5.842 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.750 -7.610 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.840 -8.908 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.275 -8.887 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.595 -7.855 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.333 -6.994 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.957 -5.866 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.312 -5.576 -4.477 1.00 0.00 H new ATOM 982 N PHE A 59 0.952 -3.528 -7.111 1.00 0.00 N ATOM 983 CA PHE A 59 1.713 -2.296 -6.928 1.00 0.00 C ATOM 984 C PHE A 59 0.852 -1.066 -7.200 1.00 0.00 C ATOM 985 O PHE A 59 0.792 -0.145 -6.385 1.00 0.00 O ATOM 986 CB PHE A 59 2.936 -2.286 -7.849 1.00 0.00 C ATOM 987 CG PHE A 59 3.979 -3.299 -7.477 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.919 -3.018 -6.498 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.020 -4.534 -8.104 1.00 0.00 C ATOM 990 CE1 PHE A 59 5.880 -3.948 -6.154 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.979 -5.468 -7.765 1.00 0.00 C ATOM 992 CZ PHE A 59 5.910 -5.176 -6.787 1.00 0.00 C ATOM 0 H PHE A 59 1.307 -4.139 -7.846 1.00 0.00 H new ATOM 0 HA PHE A 59 2.042 -2.260 -5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.611 -2.472 -8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.384 -1.293 -7.832 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.900 -2.061 -5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.293 -4.769 -8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.608 -3.716 -5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.001 -6.426 -8.264 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.659 -5.906 -6.518 1.00 0.00 H new ATOM 1002 N ASP A 60 0.184 -1.059 -8.348 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.672 0.059 -8.728 1.00 0.00 C ATOM 1004 C ASP A 60 -1.976 0.032 -7.941 1.00 0.00 C ATOM 1005 O ASP A 60 -2.593 1.069 -7.707 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.969 0.014 -10.229 1.00 0.00 C ATOM 1007 CG ASP A 60 -0.924 1.389 -10.869 1.00 0.00 C ATOM 1008 OD1 ASP A 60 0.102 2.084 -10.709 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -1.913 1.769 -11.528 1.00 0.00 O ATOM 0 H ASP A 60 0.219 -1.815 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.145 0.985 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.245 -0.636 -10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.953 -0.426 -10.389 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.389 -1.162 -7.545 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.620 -1.343 -6.788 1.00 0.00 C ATOM 1016 C ALA A 61 -3.519 -0.741 -5.389 1.00 0.00 C ATOM 1017 O ALA A 61 -4.401 -0.004 -4.957 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.955 -2.823 -6.705 1.00 0.00 C ATOM 0 H ALA A 61 -1.885 -2.028 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.419 -0.817 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.876 -2.956 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.086 -3.223 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.143 -3.353 -6.207 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.446 -1.078 -4.680 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.232 -0.589 -3.321 1.00 0.00 C ATOM 1026 C ILE A 62 -1.789 0.876 -3.297 1.00 0.00 C ATOM 1027 O ILE A 62 -2.131 1.622 -2.381 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.192 -1.448 -2.568 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.460 -2.939 -2.791 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -1.217 -1.129 -1.082 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.208 -3.788 -2.747 1.00 0.00 C ATOM 0 H ILE A 62 -1.708 -1.691 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.195 -0.667 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.204 -1.210 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.157 -3.293 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.947 -3.073 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.479 -1.743 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.982 -0.075 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.208 -1.340 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.471 -4.833 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.482 -3.460 -3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.268 -3.684 -1.772 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.006 1.271 -4.295 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.483 2.636 -4.388 1.00 0.00 C ATOM 1045 C ARG A 63 -1.529 3.712 -4.053 1.00 0.00 C ATOM 1046 O ARG A 63 -1.258 4.605 -3.251 1.00 0.00 O ATOM 1047 CB ARG A 63 0.077 2.883 -5.792 1.00 0.00 C ATOM 1048 CG ARG A 63 1.596 2.946 -5.839 1.00 0.00 C ATOM 1049 CD ARG A 63 2.137 2.390 -7.147 1.00 0.00 C ATOM 1050 NE ARG A 63 2.310 3.430 -8.158 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.390 4.203 -8.255 1.00 0.00 C ATOM 1052 NH1 ARG A 63 4.394 4.065 -7.398 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.465 5.117 -9.212 1.00 0.00 N ATOM 0 H ARG A 63 -0.715 0.661 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 63 0.307 2.719 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.266 2.089 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.329 3.818 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.922 3.979 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.011 2.382 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.094 1.901 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.456 1.627 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 63 1.557 3.573 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.341 3.364 -6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.218 4.660 -7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.696 5.228 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.292 5.710 -9.287 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.729 3.671 -4.664 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.771 4.674 -4.414 1.00 0.00 C ATOM 1069 C PRO A 64 -4.029 4.905 -2.928 1.00 0.00 C ATOM 1070 O PRO A 64 -3.988 6.042 -2.456 1.00 0.00 O ATOM 1071 CB PRO A 64 -5.020 4.096 -5.098 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.661 2.696 -5.479 1.00 0.00 C ATOM 1073 CD PRO A 64 -3.169 2.680 -5.650 1.00 0.00 C ATOM 0 HA PRO A 64 -3.479 5.651 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.877 4.111 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.293 4.683 -5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.972 1.991 -4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.162 2.403 -6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.748 1.694 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.873 2.955 -6.662 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.294 3.832 -2.191 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.552 3.942 -0.758 1.00 0.00 C ATOM 1083 C LEU A 65 -3.264 4.224 0.016 1.00 0.00 C ATOM 1084 O LEU A 65 -3.301 4.513 1.213 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.216 2.670 -0.228 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.445 1.375 -0.483 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.574 0.433 0.704 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.943 0.704 -1.755 1.00 0.00 C ATOM 0 H LEU A 65 -4.336 2.881 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.231 4.781 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.366 2.779 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.204 2.580 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.391 1.620 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.018 -0.483 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.171 0.914 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.625 0.192 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.384 -0.217 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.003 0.472 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.799 1.376 -2.601 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.127 4.143 -0.671 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.836 4.392 -0.045 1.00 0.00 C ATOM 1102 C ILE A 66 -0.516 5.890 -0.027 1.00 0.00 C ATOM 1103 O ILE A 66 -0.586 6.558 -1.059 1.00 0.00 O ATOM 1104 CB ILE A 66 0.293 3.622 -0.776 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.242 2.139 -0.412 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.664 4.199 -0.442 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.260 1.302 -1.157 1.00 0.00 C ATOM 0 H ILE A 66 -2.076 3.907 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.895 4.034 0.983 1.00 0.00 H new ATOM 0 HB ILE A 66 0.134 3.732 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.407 2.030 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.756 1.755 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.434 3.637 -0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.703 5.244 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.836 4.129 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.169 0.260 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.082 1.382 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.264 1.661 -0.928 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.151 6.437 1.149 1.00 0.00 N ATOM 1120 CA PRO A 67 0.187 7.856 1.299 1.00 0.00 C ATOM 1121 C PRO A 67 1.059 8.379 0.184 1.00 0.00 C ATOM 1122 O PRO A 67 1.968 7.710 -0.305 1.00 0.00 O ATOM 1123 CB PRO A 67 0.930 7.895 2.631 1.00 0.00 C ATOM 1124 CG PRO A 67 0.318 6.792 3.423 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.032 5.711 2.432 1.00 0.00 C ATOM 0 HA PRO A 67 -0.700 8.489 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.000 7.741 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.807 8.858 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.013 6.420 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.570 7.138 3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.740 4.943 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.964 5.211 2.697 1.00 0.00 H new ATOM 1133 N LEU A 68 0.747 9.599 -0.199 1.00 0.00 N ATOM 1134 CA LEU A 68 1.442 10.300 -1.247 1.00 0.00 C ATOM 1135 C LEU A 68 2.954 10.264 -1.039 1.00 0.00 C ATOM 1136 O LEU A 68 3.707 9.977 -1.970 1.00 0.00 O ATOM 1137 CB LEU A 68 0.928 11.727 -1.234 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.057 12.063 -2.348 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.543 13.498 -2.215 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.576 11.831 -3.713 1.00 0.00 C ATOM 0 H LEU A 68 -0.011 10.137 0.220 1.00 0.00 H new ATOM 0 HA LEU A 68 1.256 9.825 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.447 11.916 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.779 12.405 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.918 11.401 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.245 13.720 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.040 13.626 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.307 14.177 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.143 12.077 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.456 12.465 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.869 10.785 -3.805 1.00 0.00 H new ATOM 1152 N LYS A 69 3.393 10.544 0.182 1.00 0.00 N ATOM 1153 CA LYS A 69 4.817 10.524 0.496 1.00 0.00 C ATOM 1154 C LYS A 69 5.350 9.098 0.408 1.00 0.00 C ATOM 1155 O LYS A 69 6.436 8.855 -0.125 1.00 0.00 O ATOM 1156 CB LYS A 69 5.071 11.098 1.892 1.00 0.00 C ATOM 1157 CG LYS A 69 4.246 10.438 2.987 1.00 0.00 C ATOM 1158 CD LYS A 69 4.699 10.879 4.371 1.00 0.00 C ATOM 1159 CE LYS A 69 3.595 11.611 5.116 1.00 0.00 C ATOM 1160 NZ LYS A 69 2.445 10.717 5.424 1.00 0.00 N ATOM 0 H LYS A 69 2.788 10.786 0.967 1.00 0.00 H new ATOM 0 HA LYS A 69 5.341 11.145 -0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.129 10.990 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.854 12.166 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.194 10.687 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.330 9.354 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.011 10.008 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.569 11.529 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.994 12.022 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.250 12.453 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.847 11.159 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.885 10.562 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.799 9.804 5.775 1.00 0.00 H new ATOM 1174 N HIS A 70 4.565 8.157 0.921 1.00 0.00 N ATOM 1175 CA HIS A 70 4.940 6.752 0.893 1.00 0.00 C ATOM 1176 C HIS A 70 4.964 6.241 -0.543 1.00 0.00 C ATOM 1177 O HIS A 70 5.741 5.347 -0.880 1.00 0.00 O ATOM 1178 CB HIS A 70 3.968 5.924 1.735 1.00 0.00 C ATOM 1179 CG HIS A 70 4.020 6.248 3.195 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.209 5.640 4.131 1.00 0.00 N ATOM 1181 CD2 HIS A 70 4.795 7.121 3.881 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.481 6.128 5.329 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.440 7.026 5.205 1.00 0.00 N ATOM 0 H HIS A 70 3.664 8.344 1.361 1.00 0.00 H new ATOM 0 HA HIS A 70 5.939 6.650 1.317 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.954 6.087 1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.190 4.866 1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.551 7.771 3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.000 5.841 6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.851 7.563 5.969 1.00 0.00 H new ATOM 1192 N GLN A 71 4.119 6.824 -1.389 1.00 0.00 N ATOM 1193 CA GLN A 71 4.057 6.437 -2.793 1.00 0.00 C ATOM 1194 C GLN A 71 5.402 6.686 -3.460 1.00 0.00 C ATOM 1195 O GLN A 71 5.922 5.832 -4.178 1.00 0.00 O ATOM 1196 CB GLN A 71 2.958 7.217 -3.518 1.00 0.00 C ATOM 1197 CG GLN A 71 1.559 6.682 -3.260 1.00 0.00 C ATOM 1198 CD GLN A 71 0.480 7.552 -3.874 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.343 7.621 -5.097 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.294 8.222 -3.029 1.00 0.00 N ATOM 0 H GLN A 71 3.469 7.565 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 71 3.821 5.374 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.001 8.261 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.155 7.194 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.480 5.672 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.394 6.610 -2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.146 8.136 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.037 8.823 -3.385 1.00 0.00 H new ATOM 1209 N VAL A 72 5.971 7.859 -3.200 1.00 0.00 N ATOM 1210 CA VAL A 72 7.268 8.215 -3.759 1.00 0.00 C ATOM 1211 C VAL A 72 8.324 7.233 -3.279 1.00 0.00 C ATOM 1212 O VAL A 72 9.012 6.604 -4.083 1.00 0.00 O ATOM 1213 CB VAL A 72 7.697 9.636 -3.356 1.00 0.00 C ATOM 1214 CG1 VAL A 72 8.840 10.117 -4.237 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.521 10.599 -3.423 1.00 0.00 C ATOM 0 H VAL A 72 5.554 8.577 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 72 7.174 8.177 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 72 8.047 9.607 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.131 11.124 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.692 9.446 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.518 10.127 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.851 11.597 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.131 10.627 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.737 10.264 -2.743 1.00 0.00 H new ATOM 1225 N GLU A 73 8.435 7.091 -1.959 1.00 0.00 N ATOM 1226 CA GLU A 73 9.398 6.164 -1.379 1.00 0.00 C ATOM 1227 C GLU A 73 9.138 4.763 -1.911 1.00 0.00 C ATOM 1228 O GLU A 73 10.069 3.995 -2.157 1.00 0.00 O ATOM 1229 CB GLU A 73 9.310 6.179 0.150 1.00 0.00 C ATOM 1230 CG GLU A 73 10.516 6.816 0.822 1.00 0.00 C ATOM 1231 CD GLU A 73 10.142 7.607 2.059 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.305 7.119 2.848 1.00 0.00 O ATOM 1233 OE2 GLU A 73 10.686 8.718 2.240 1.00 0.00 O ATOM 0 H GLU A 73 7.874 7.603 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 73 10.404 6.475 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.411 6.718 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.202 5.156 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.229 6.038 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.018 7.474 0.112 1.00 0.00 H new ATOM 1240 N TYR A 74 7.863 4.454 -2.122 1.00 0.00 N ATOM 1241 CA TYR A 74 7.477 3.162 -2.666 1.00 0.00 C ATOM 1242 C TYR A 74 8.122 2.991 -4.034 1.00 0.00 C ATOM 1243 O TYR A 74 8.503 1.889 -4.426 1.00 0.00 O ATOM 1244 CB TYR A 74 5.954 3.062 -2.783 1.00 0.00 C ATOM 1245 CG TYR A 74 5.452 1.670 -3.091 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.753 0.600 -2.258 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.671 1.428 -4.214 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.290 -0.673 -2.536 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.206 0.159 -4.500 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.517 -0.887 -3.658 1.00 0.00 C ATOM 1251 OH TYR A 74 4.054 -2.152 -3.939 1.00 0.00 O ATOM 0 H TYR A 74 7.083 5.081 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 74 7.817 2.371 -1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.505 3.401 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.614 3.741 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.358 0.765 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.423 2.246 -4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.532 -1.495 -1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.602 -0.013 -5.379 1.00 0.00 H new ATOM 0 HH TYR A 74 4.745 -2.654 -4.419 1.00 0.00 H new ATOM 1261 N ASP A 75 8.260 4.110 -4.745 1.00 0.00 N ATOM 1262 CA ASP A 75 8.879 4.110 -6.062 1.00 0.00 C ATOM 1263 C ASP A 75 10.387 3.915 -5.935 1.00 0.00 C ATOM 1264 O ASP A 75 11.008 3.250 -6.764 1.00 0.00 O ATOM 1265 CB ASP A 75 8.579 5.418 -6.792 1.00 0.00 C ATOM 1266 CG ASP A 75 8.430 5.225 -8.289 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.450 4.572 -8.708 1.00 0.00 O ATOM 1268 OD2 ASP A 75 9.292 5.724 -9.042 1.00 0.00 O ATOM 0 H ASP A 75 7.949 5.028 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 75 8.464 3.285 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.663 5.852 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.381 6.131 -6.599 1.00 0.00 H new ATOM 1273 N GLN A 76 10.969 4.501 -4.891 1.00 0.00 N ATOM 1274 CA GLN A 76 12.404 4.391 -4.655 1.00 0.00 C ATOM 1275 C GLN A 76 12.797 2.952 -4.336 1.00 0.00 C ATOM 1276 O GLN A 76 13.911 2.521 -4.636 1.00 0.00 O ATOM 1277 CB GLN A 76 12.826 5.312 -3.508 1.00 0.00 C ATOM 1278 CG GLN A 76 12.997 6.765 -3.925 1.00 0.00 C ATOM 1279 CD GLN A 76 13.039 7.708 -2.741 1.00 0.00 C ATOM 1280 OE1 GLN A 76 12.395 7.471 -1.718 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.798 8.791 -2.872 1.00 0.00 N ATOM 0 H GLN A 76 10.469 5.056 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 76 12.919 4.695 -5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.080 5.256 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.765 4.950 -3.089 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.917 6.868 -4.500 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.176 7.050 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.315 8.950 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.863 9.464 -2.108 1.00 0.00 H new ATOM 1290 N LEU A 77 11.877 2.214 -3.722 1.00 0.00 N ATOM 1291 CA LEU A 77 12.130 0.824 -3.359 1.00 0.00 C ATOM 1292 C LEU A 77 11.856 -0.110 -4.532 1.00 0.00 C ATOM 1293 O LEU A 77 12.593 -1.071 -4.758 1.00 0.00 O ATOM 1294 CB LEU A 77 11.265 0.425 -2.160 1.00 0.00 C ATOM 1295 CG LEU A 77 11.675 1.056 -0.828 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.447 1.459 -0.024 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.545 0.097 -0.030 1.00 0.00 C ATOM 0 H LEU A 77 10.951 2.555 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 77 13.182 0.733 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.231 0.697 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.294 -0.660 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 77 12.255 1.954 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.760 1.906 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.862 2.183 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.838 0.578 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.827 0.562 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.989 -0.819 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.443 -0.140 -0.601 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.886 7.260 6.168 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.301 6.925 6.281 1.00 0.00 C ATOM 1400 C ARG B 103 -7.671 5.797 5.322 1.00 0.00 C ATOM 1401 O ARG B 103 -8.379 4.862 5.695 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.162 8.157 5.996 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.656 7.894 6.113 1.00 0.00 C ATOM 1404 CD ARG B 103 -10.314 8.836 7.108 1.00 0.00 C ATOM 1405 NE ARG B 103 -11.748 8.583 7.234 1.00 0.00 N ATOM 1406 CZ ARG B 103 -12.604 9.434 7.796 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -12.176 10.591 8.284 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -13.891 9.126 7.869 1.00 0.00 N ATOM 0 HA ARG B 103 -7.489 6.587 7.300 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.886 8.952 6.689 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.943 8.519 4.992 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.124 8.011 5.136 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.821 6.862 6.424 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -9.839 8.724 8.083 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.154 9.867 6.792 1.00 0.00 H new ATOM 0 HE ARG B 103 -12.114 7.703 6.870 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -11.187 10.833 8.230 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -12.836 11.239 8.713 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -14.225 8.238 7.495 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -14.548 9.777 8.299 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.189 5.894 4.087 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.472 4.883 3.074 1.00 0.00 C ATOM 1424 C TYR B 104 -7.013 3.503 3.537 1.00 0.00 C ATOM 1425 O TYR B 104 -7.783 2.542 3.516 1.00 0.00 O ATOM 1426 CB TYR B 104 -6.784 5.246 1.757 1.00 0.00 C ATOM 1427 CG TYR B 104 -7.654 6.054 0.820 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.981 5.706 0.600 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -7.149 7.164 0.156 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.779 6.441 -0.255 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -7.941 7.905 -0.701 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.254 7.539 -0.902 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.046 8.275 -1.754 1.00 0.00 O ATOM 0 H TYR B 104 -6.601 6.662 3.764 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.550 4.853 2.918 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -5.877 5.811 1.974 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -6.476 4.330 1.253 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -9.395 4.847 1.106 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -6.120 7.453 0.312 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.809 6.157 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -7.533 8.766 -1.210 1.00 0.00 H new ATOM 0 HH TYR B 104 -9.524 9.016 -2.128 1.00 0.00 H new ATOM 1443 N LEU B 105 -5.755 3.412 3.955 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.193 2.150 4.424 1.00 0.00 C ATOM 1445 C LEU B 105 -5.997 1.601 5.599 1.00 0.00 C ATOM 1446 O LEU B 105 -6.429 0.448 5.586 1.00 0.00 O ATOM 1447 CB LEU B 105 -3.729 2.342 4.830 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.701 1.874 3.796 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -1.582 2.894 3.654 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.139 0.515 4.183 1.00 0.00 C ATOM 0 H LEU B 105 -5.105 4.197 3.979 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.243 1.429 3.608 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.560 3.399 5.034 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -3.553 1.806 5.762 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.201 1.779 2.832 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.862 2.543 2.915 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -1.998 3.848 3.331 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.083 3.023 4.614 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.410 0.197 3.438 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.655 0.585 5.157 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.949 -0.213 4.232 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.195 2.436 6.613 1.00 0.00 N ATOM 1463 CA ARG B 106 -6.947 2.041 7.796 1.00 0.00 C ATOM 1464 C ARG B 106 -8.378 1.661 7.430 1.00 0.00 C ATOM 1465 O ARG B 106 -8.972 0.779 8.048 1.00 0.00 O ATOM 1466 CB ARG B 106 -6.956 3.177 8.820 1.00 0.00 C ATOM 1467 CG ARG B 106 -7.234 2.714 10.242 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.687 2.933 10.627 1.00 0.00 C ATOM 1469 NE ARG B 106 -9.125 4.300 10.361 1.00 0.00 N ATOM 1470 CZ ARG B 106 -8.821 5.340 11.135 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -8.078 5.173 12.222 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -9.263 6.551 10.822 1.00 0.00 N ATOM 0 H ARG B 106 -5.844 3.393 6.638 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.459 1.169 8.232 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -5.992 3.685 8.794 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.710 3.909 8.531 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.988 1.656 10.336 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.588 3.254 10.934 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -9.317 2.237 10.074 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -8.819 2.710 11.686 1.00 0.00 H new ATOM 0 HE ARG B 106 -9.697 4.468 9.534 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.736 4.244 12.469 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -7.849 5.974 12.811 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -9.836 6.685 9.989 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -9.030 7.348 11.415 1.00 0.00 H new ATOM 1486 N GLU B 107 -8.927 2.333 6.422 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.289 2.064 5.975 1.00 0.00 C ATOM 1488 C GLU B 107 -10.444 0.609 5.545 1.00 0.00 C ATOM 1489 O GLU B 107 -11.274 -0.123 6.084 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.662 2.994 4.818 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.346 4.275 5.264 1.00 0.00 C ATOM 1492 CD GLU B 107 -12.683 4.019 5.933 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.343 3.019 5.579 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.072 4.818 6.810 1.00 0.00 O ATOM 0 H GLU B 107 -8.449 3.067 5.900 1.00 0.00 H new ATOM 0 HA GLU B 107 -10.962 2.249 6.812 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.760 3.248 4.262 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.320 2.461 4.132 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -10.694 4.809 5.955 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.494 4.923 4.400 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.639 0.194 4.573 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.686 -1.175 4.075 1.00 0.00 C ATOM 1503 C ALA B 108 -9.135 -2.150 5.111 1.00 0.00 C ATOM 1504 O ALA B 108 -9.690 -3.230 5.319 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.909 -1.289 2.771 1.00 0.00 C ATOM 0 H ALA B 108 -8.946 0.786 4.115 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.728 -1.435 3.886 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.952 -2.317 2.410 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.348 -0.624 2.027 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.870 -1.008 2.941 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.041 -1.759 5.754 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.408 -2.591 6.770 1.00 0.00 C ATOM 1513 C ILE B 109 -8.394 -2.937 7.886 1.00 0.00 C ATOM 1514 O ILE B 109 -8.616 -4.110 8.189 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.166 -1.888 7.364 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.032 -1.869 6.338 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.706 -2.570 8.646 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.869 -0.989 6.739 1.00 0.00 C ATOM 0 H ILE B 109 -7.573 -0.868 5.589 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.089 -3.515 6.288 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.442 -0.863 7.610 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.672 -2.887 6.188 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.424 -1.525 5.381 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -4.831 -2.053 9.040 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.508 -2.538 9.383 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.449 -3.608 8.434 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.102 -1.024 5.965 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.215 0.037 6.861 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.451 -1.346 7.680 1.00 0.00 H new ATOM 1530 N GLN B 110 -8.984 -1.912 8.493 1.00 0.00 N ATOM 1531 CA GLN B 110 -9.943 -2.121 9.571 1.00 0.00 C ATOM 1532 C GLN B 110 -11.163 -2.873 9.064 1.00 0.00 C ATOM 1533 O GLN B 110 -11.739 -3.693 9.779 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.366 -0.786 10.186 1.00 0.00 C ATOM 1535 CG GLN B 110 -9.352 -0.221 11.167 1.00 0.00 C ATOM 1536 CD GLN B 110 -10.005 0.552 12.298 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -10.674 1.561 12.070 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -9.813 0.082 13.524 1.00 0.00 N ATOM 0 H GLN B 110 -8.816 -0.934 8.258 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.459 -2.720 10.342 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.529 -0.063 9.387 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.320 -0.917 10.697 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -8.760 -1.037 11.583 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -8.662 0.434 10.635 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -9.251 -0.757 13.666 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -10.227 0.560 14.324 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.549 -2.603 7.821 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.695 -3.276 7.224 1.00 0.00 C ATOM 1549 C GLU B 111 -12.519 -4.783 7.328 1.00 0.00 C ATOM 1550 O GLU B 111 -13.449 -5.509 7.680 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.862 -2.860 5.761 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.204 -3.256 5.165 1.00 0.00 C ATOM 1553 CD GLU B 111 -14.061 -4.187 3.977 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -13.043 -4.905 3.904 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -14.969 -4.197 3.119 1.00 0.00 O ATOM 0 H GLU B 111 -11.088 -1.927 7.212 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.595 -2.984 7.766 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.744 -1.779 5.684 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.064 -3.311 5.170 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.809 -3.741 5.931 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.740 -2.358 4.856 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.307 -5.241 7.041 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.993 -6.657 7.125 1.00 0.00 C ATOM 1564 C TYR B 112 -10.962 -7.091 8.581 1.00 0.00 C ATOM 1565 O TYR B 112 -11.354 -8.208 8.916 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.653 -6.955 6.453 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.334 -8.430 6.362 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -9.831 -9.204 5.320 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.537 -9.049 7.316 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.542 -10.553 5.232 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.244 -10.397 7.236 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.748 -11.143 6.192 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.459 -12.486 6.109 1.00 0.00 O ATOM 0 H TYR B 112 -10.528 -4.651 6.749 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.767 -7.218 6.602 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.658 -6.531 5.449 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.859 -6.454 7.007 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -10.453 -8.744 4.567 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -8.139 -8.467 8.134 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -9.936 -11.141 4.416 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.624 -10.863 7.987 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.887 -12.745 6.862 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.514 -6.189 9.453 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.463 -6.482 10.878 1.00 0.00 C ATOM 1585 C ASP B 113 -11.866 -6.785 11.392 1.00 0.00 C ATOM 1586 O ASP B 113 -12.044 -7.557 12.333 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.861 -5.305 11.648 1.00 0.00 C ATOM 1588 CG ASP B 113 -8.348 -5.372 11.716 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -7.695 -5.101 10.686 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -7.815 -5.694 12.799 1.00 0.00 O ATOM 0 H ASP B 113 -10.185 -5.258 9.198 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.828 -7.354 11.034 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -10.160 -4.372 11.171 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.267 -5.290 12.659 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.863 -6.174 10.751 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.253 -6.382 11.126 1.00 0.00 C ATOM 1597 C ASN B 114 -14.789 -7.667 10.504 1.00 0.00 C ATOM 1598 O ASN B 114 -15.597 -8.372 11.111 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.106 -5.187 10.691 1.00 0.00 C ATOM 1600 CG ASN B 114 -15.564 -4.345 11.867 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -15.375 -3.130 11.885 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -16.169 -4.991 12.856 1.00 0.00 N ATOM 0 H ASN B 114 -12.729 -5.532 9.970 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.307 -6.474 12.211 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.532 -4.565 10.004 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -15.977 -5.546 10.143 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -16.499 -4.478 13.674 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -16.304 -6.000 12.798 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.333 -7.969 9.290 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.767 -9.172 8.593 1.00 0.00 C ATOM 1611 C ILE B 115 -14.176 -10.419 9.239 1.00 0.00 C ATOM 1612 O ILE B 115 -14.902 -11.318 9.662 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.368 -9.134 7.103 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.857 -7.838 6.455 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.930 -10.341 6.371 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.939 -7.324 5.367 1.00 0.00 C ATOM 0 H ILE B 115 -13.665 -7.398 8.772 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.854 -9.209 8.666 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.281 -9.167 7.034 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.849 -8.003 6.035 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.960 -7.073 7.224 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.639 -10.298 5.321 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.537 -11.254 6.819 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -16.017 -10.338 6.446 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.347 -6.403 4.952 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.952 -7.127 5.786 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.855 -8.072 4.578 1.00 0.00 H new