USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=12 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 2:sc= 1.03 USER MOD Set 1.2: A 70 HIS : no HD1:sc= -0.61 K(o=0.42,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.026) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 169:sc= -1.75 USER MOD Single : A 27 TYR OH : rot -15:sc= -0.481 USER MOD Single : A 32 MET CE :methyl 168:sc= -2.04 (180deg=-2.38!) USER MOD Single : A 34 HIS : no HE2:sc= -0.0974 K(o=-0.097,f=-0.83) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 166:sc= -0.228 (180deg=-0.657) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -0.289 (180deg=-1.2!) USER MOD Single : A 71 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : A 74 TYR OH : rot -60:sc= -1.36 USER MOD Single : A 76 GLN : amide:sc= -0.0783 K(o=-0.078,f=-1.6) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.7!) USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -16.510 2.842 2.864 1.00 0.00 N ATOM 33 CA ARG A 3 -16.852 1.430 2.751 1.00 0.00 C ATOM 34 C ARG A 3 -16.444 0.877 1.387 1.00 0.00 C ATOM 35 O ARG A 3 -15.853 -0.198 1.296 1.00 0.00 O ATOM 36 CB ARG A 3 -18.353 1.229 2.972 1.00 0.00 C ATOM 37 CG ARG A 3 -18.677 0.266 4.103 1.00 0.00 C ATOM 38 CD ARG A 3 -19.218 -1.056 3.580 1.00 0.00 C ATOM 39 NE ARG A 3 -18.425 -2.193 4.042 1.00 0.00 N ATOM 40 CZ ARG A 3 -18.455 -3.398 3.475 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.237 -3.624 2.427 1.00 0.00 N ATOM 42 NH2 ARG A 3 -17.702 -4.376 3.958 1.00 0.00 N ATOM 0 HA ARG A 3 -16.304 0.885 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -18.813 2.194 3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.801 0.858 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.779 0.083 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.410 0.721 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.251 -1.179 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.226 -1.039 2.490 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.812 -2.056 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.818 -2.874 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.257 -4.548 1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.100 -4.206 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.725 -5.299 3.524 1.00 0.00 H new ATOM 56 N LYS A 4 -16.769 1.615 0.330 1.00 0.00 N ATOM 57 CA LYS A 4 -16.439 1.194 -1.025 1.00 0.00 C ATOM 58 C LYS A 4 -14.935 1.020 -1.193 1.00 0.00 C ATOM 59 O LYS A 4 -14.484 0.143 -1.929 1.00 0.00 O ATOM 60 CB LYS A 4 -16.965 2.207 -2.044 1.00 0.00 C ATOM 61 CG LYS A 4 -18.479 2.197 -2.185 1.00 0.00 C ATOM 62 CD LYS A 4 -18.965 0.947 -2.902 1.00 0.00 C ATOM 63 CE LYS A 4 -20.033 1.275 -3.934 1.00 0.00 C ATOM 64 NZ LYS A 4 -20.576 0.051 -4.584 1.00 0.00 N ATOM 0 H LYS A 4 -17.260 2.507 0.387 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.919 0.231 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.642 3.206 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.516 1.999 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.938 2.253 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.800 3.081 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.123 0.457 -3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.366 0.241 -2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.845 1.821 -3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.612 1.933 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.301 0.320 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.806 -0.458 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.001 -0.566 -3.862 1.00 0.00 H new ATOM 78 N VAL A 5 -14.160 1.847 -0.499 1.00 0.00 N ATOM 79 CA VAL A 5 -12.707 1.762 -0.572 1.00 0.00 C ATOM 80 C VAL A 5 -12.250 0.338 -0.284 1.00 0.00 C ATOM 81 O VAL A 5 -11.321 -0.169 -0.913 1.00 0.00 O ATOM 82 CB VAL A 5 -12.032 2.722 0.426 1.00 0.00 C ATOM 83 CG1 VAL A 5 -10.521 2.710 0.244 1.00 0.00 C ATOM 84 CG2 VAL A 5 -12.583 4.131 0.268 1.00 0.00 C ATOM 0 H VAL A 5 -14.512 2.580 0.117 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.413 2.050 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.255 2.380 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.063 3.394 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.142 1.702 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.274 3.025 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.094 4.795 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.393 4.484 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.657 4.125 0.455 1.00 0.00 H new ATOM 94 N ALA A 6 -12.925 -0.304 0.664 1.00 0.00 N ATOM 95 CA ALA A 6 -12.611 -1.676 1.033 1.00 0.00 C ATOM 96 C ALA A 6 -13.066 -2.646 -0.050 1.00 0.00 C ATOM 97 O ALA A 6 -12.400 -3.645 -0.322 1.00 0.00 O ATOM 98 CB ALA A 6 -13.253 -2.026 2.366 1.00 0.00 C ATOM 0 H ALA A 6 -13.695 0.107 1.191 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.529 -1.764 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.009 -3.055 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.876 -1.356 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.335 -1.918 2.288 1.00 0.00 H new ATOM 104 N ARG A 7 -14.207 -2.347 -0.665 1.00 0.00 N ATOM 105 CA ARG A 7 -14.751 -3.196 -1.719 1.00 0.00 C ATOM 106 C ARG A 7 -13.867 -3.160 -2.959 1.00 0.00 C ATOM 107 O ARG A 7 -13.665 -4.179 -3.618 1.00 0.00 O ATOM 108 CB ARG A 7 -16.173 -2.757 -2.075 1.00 0.00 C ATOM 109 CG ARG A 7 -17.142 -2.827 -0.906 1.00 0.00 C ATOM 110 CD ARG A 7 -18.290 -1.842 -1.070 1.00 0.00 C ATOM 111 NE ARG A 7 -19.587 -2.515 -1.113 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.052 -3.159 -2.180 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.334 -3.218 -3.294 1.00 0.00 N ATOM 114 NH2 ARG A 7 -21.241 -3.746 -2.134 1.00 0.00 N ATOM 0 H ARG A 7 -14.771 -1.525 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.779 -4.220 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.145 -1.735 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.546 -3.385 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -17.539 -3.839 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.610 -2.615 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.278 -1.130 -0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.148 -1.269 -1.986 1.00 0.00 H new ATOM 0 HE ARG A 7 -20.169 -2.489 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.420 -2.768 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -19.696 -3.713 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -21.798 -3.703 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.598 -4.240 -2.952 1.00 0.00 H new ATOM 128 N GLU A 8 -13.343 -1.982 -3.269 1.00 0.00 N ATOM 129 CA GLU A 8 -12.477 -1.820 -4.430 1.00 0.00 C ATOM 130 C GLU A 8 -11.123 -2.469 -4.181 1.00 0.00 C ATOM 131 O GLU A 8 -10.635 -3.245 -5.003 1.00 0.00 O ATOM 132 CB GLU A 8 -12.296 -0.336 -4.758 1.00 0.00 C ATOM 133 CG GLU A 8 -13.552 0.323 -5.305 1.00 0.00 C ATOM 134 CD GLU A 8 -13.940 -0.205 -6.672 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.274 0.165 -7.662 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.907 -0.991 -6.753 1.00 0.00 O ATOM 0 H GLU A 8 -13.501 -1.127 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.949 -2.313 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.982 0.191 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.492 -0.229 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.375 0.160 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.395 1.400 -5.367 1.00 0.00 H new ATOM 143 N PHE A 9 -10.521 -2.156 -3.038 1.00 0.00 N ATOM 144 CA PHE A 9 -9.228 -2.720 -2.680 1.00 0.00 C ATOM 145 C PHE A 9 -9.326 -4.236 -2.556 1.00 0.00 C ATOM 146 O PHE A 9 -8.426 -4.964 -2.973 1.00 0.00 O ATOM 147 CB PHE A 9 -8.728 -2.117 -1.366 1.00 0.00 C ATOM 148 CG PHE A 9 -7.291 -2.441 -1.066 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.272 -1.920 -1.850 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.961 -3.265 -0.003 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.950 -2.215 -1.575 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.640 -3.563 0.276 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.633 -3.038 -0.511 1.00 0.00 C ATOM 0 H PHE A 9 -10.909 -1.515 -2.346 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.516 -2.478 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.848 -1.034 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.352 -2.479 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.514 -1.277 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.744 -3.679 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.165 -1.802 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.395 -4.206 1.109 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.601 -3.270 -0.295 1.00 0.00 H new ATOM 163 N ARG A 10 -10.433 -4.704 -1.985 1.00 0.00 N ATOM 164 CA ARG A 10 -10.655 -6.134 -1.811 1.00 0.00 C ATOM 165 C ARG A 10 -10.984 -6.796 -3.144 1.00 0.00 C ATOM 166 O ARG A 10 -10.430 -7.843 -3.481 1.00 0.00 O ATOM 167 CB ARG A 10 -11.789 -6.380 -0.814 1.00 0.00 C ATOM 168 CG ARG A 10 -11.395 -6.135 0.632 1.00 0.00 C ATOM 169 CD ARG A 10 -12.554 -6.401 1.578 1.00 0.00 C ATOM 170 NE ARG A 10 -12.738 -7.828 1.830 1.00 0.00 N ATOM 171 CZ ARG A 10 -13.878 -8.367 2.256 1.00 0.00 C ATOM 172 NH1 ARG A 10 -14.941 -7.602 2.479 1.00 0.00 N ATOM 173 NH2 ARG A 10 -13.958 -9.675 2.460 1.00 0.00 N ATOM 0 H ARG A 10 -11.188 -4.114 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.737 -6.574 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.630 -5.734 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.135 -7.408 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.555 -6.777 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.058 -5.105 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.377 -5.886 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.469 -5.986 1.156 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.945 -8.449 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.886 -6.595 2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.812 -8.021 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.146 -10.268 2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.832 -10.088 2.786 1.00 0.00 H new ATOM 187 N HIS A 11 -11.887 -6.178 -3.902 1.00 0.00 N ATOM 188 CA HIS A 11 -12.283 -6.716 -5.199 1.00 0.00 C ATOM 189 C HIS A 11 -11.092 -6.767 -6.148 1.00 0.00 C ATOM 190 O HIS A 11 -10.895 -7.752 -6.858 1.00 0.00 O ATOM 191 CB HIS A 11 -13.404 -5.874 -5.808 1.00 0.00 C ATOM 192 CG HIS A 11 -13.984 -6.464 -7.057 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.929 -5.817 -7.827 1.00 0.00 N ATOM 194 CD2 HIS A 11 -13.750 -7.649 -7.668 1.00 0.00 C ATOM 195 CE1 HIS A 11 -15.250 -6.579 -8.858 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.547 -7.694 -8.786 1.00 0.00 N ATOM 0 H HIS A 11 -12.355 -5.310 -3.642 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.649 -7.731 -5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.198 -5.752 -5.071 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.020 -4.878 -6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.065 -8.416 -7.338 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.966 -6.332 -9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.589 -8.465 -9.453 1.00 0.00 H new ATOM 205 N LYS A 12 -10.294 -5.704 -6.150 1.00 0.00 N ATOM 206 CA LYS A 12 -9.118 -5.637 -7.007 1.00 0.00 C ATOM 207 C LYS A 12 -8.161 -6.777 -6.681 1.00 0.00 C ATOM 208 O LYS A 12 -7.814 -7.580 -7.550 1.00 0.00 O ATOM 209 CB LYS A 12 -8.408 -4.291 -6.835 1.00 0.00 C ATOM 210 CG LYS A 12 -8.767 -3.273 -7.906 1.00 0.00 C ATOM 211 CD LYS A 12 -8.305 -3.726 -9.282 1.00 0.00 C ATOM 212 CE LYS A 12 -7.752 -2.565 -10.095 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.281 -2.672 -10.290 1.00 0.00 N ATOM 0 H LYS A 12 -10.441 -4.879 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.440 -5.733 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.658 -3.880 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.330 -4.454 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.846 -3.119 -7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.310 -2.313 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.539 -4.494 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.140 -4.180 -9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.245 -2.535 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.984 -1.627 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.945 -1.862 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.807 -2.675 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.061 -3.555 -10.794 1.00 0.00 H new ATOM 227 N VAL A 13 -7.748 -6.851 -5.419 1.00 0.00 N ATOM 228 CA VAL A 13 -6.838 -7.897 -4.972 1.00 0.00 C ATOM 229 C VAL A 13 -7.377 -9.275 -5.339 1.00 0.00 C ATOM 230 O VAL A 13 -6.619 -10.174 -5.703 1.00 0.00 O ATOM 231 CB VAL A 13 -6.612 -7.831 -3.448 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.613 -8.889 -3.003 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.142 -6.442 -3.038 1.00 0.00 C ATOM 0 H VAL A 13 -8.030 -6.198 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.886 -7.733 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.562 -8.033 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.470 -8.823 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.992 -9.878 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.660 -8.724 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.988 -6.414 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.205 -6.211 -3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.896 -5.706 -3.316 1.00 0.00 H new ATOM 243 N ASP A 14 -8.692 -9.429 -5.246 1.00 0.00 N ATOM 244 CA ASP A 14 -9.335 -10.694 -5.573 1.00 0.00 C ATOM 245 C ASP A 14 -9.336 -10.930 -7.081 1.00 0.00 C ATOM 246 O ASP A 14 -9.333 -12.074 -7.539 1.00 0.00 O ATOM 247 CB ASP A 14 -10.768 -10.715 -5.041 1.00 0.00 C ATOM 248 CG ASP A 14 -11.261 -12.121 -4.761 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.541 -12.855 -5.732 1.00 0.00 O ATOM 250 OD2 ASP A 14 -11.368 -12.488 -3.573 1.00 0.00 O ATOM 0 H ASP A 14 -9.333 -8.694 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.768 -11.494 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.821 -10.125 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.429 -10.239 -5.766 1.00 0.00 H new ATOM 255 N PHE A 15 -9.337 -9.844 -7.851 1.00 0.00 N ATOM 256 CA PHE A 15 -9.333 -9.942 -9.304 1.00 0.00 C ATOM 257 C PHE A 15 -7.998 -10.469 -9.807 1.00 0.00 C ATOM 258 O PHE A 15 -7.929 -11.167 -10.819 1.00 0.00 O ATOM 259 CB PHE A 15 -9.628 -8.579 -9.934 1.00 0.00 C ATOM 260 CG PHE A 15 -10.029 -8.658 -11.380 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.192 -9.310 -11.754 1.00 0.00 C ATOM 262 CD2 PHE A 15 -9.242 -8.081 -12.364 1.00 0.00 C ATOM 263 CE1 PHE A 15 -11.563 -9.385 -13.083 1.00 0.00 C ATOM 264 CE2 PHE A 15 -9.608 -8.153 -13.694 1.00 0.00 C ATOM 265 CZ PHE A 15 -10.770 -8.806 -14.054 1.00 0.00 C ATOM 0 H PHE A 15 -9.341 -8.889 -7.492 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.115 -10.643 -9.597 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.425 -8.093 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.744 -7.948 -9.845 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.816 -9.765 -10.999 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.332 -7.569 -12.088 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.473 -9.896 -13.362 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.986 -7.699 -14.451 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.058 -8.864 -15.093 1.00 0.00 H new ATOM 275 N LEU A 16 -6.936 -10.121 -9.091 1.00 0.00 N ATOM 276 CA LEU A 16 -5.589 -10.545 -9.458 1.00 0.00 C ATOM 277 C LEU A 16 -5.242 -11.878 -8.808 1.00 0.00 C ATOM 278 O LEU A 16 -4.672 -12.764 -9.444 1.00 0.00 O ATOM 279 CB LEU A 16 -4.570 -9.478 -9.051 1.00 0.00 C ATOM 280 CG LEU A 16 -5.098 -8.041 -9.061 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.185 -7.130 -8.254 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.234 -7.535 -10.489 1.00 0.00 C ATOM 0 H LEU A 16 -6.981 -9.545 -8.251 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.555 -10.674 -10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.206 -9.708 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.714 -9.539 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.085 -8.033 -8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.577 -6.113 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.139 -7.482 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.185 -7.142 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.610 -6.512 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.260 -7.558 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.929 -8.172 -11.036 1.00 0.00 H new ATOM 294 N ILE A 17 -5.592 -12.011 -7.535 1.00 0.00 N ATOM 295 CA ILE A 17 -5.324 -13.232 -6.789 1.00 0.00 C ATOM 296 C ILE A 17 -6.510 -14.179 -6.858 1.00 0.00 C ATOM 297 O ILE A 17 -6.414 -15.274 -7.413 1.00 0.00 O ATOM 298 CB ILE A 17 -4.986 -12.918 -5.313 1.00 0.00 C ATOM 299 CG1 ILE A 17 -3.661 -12.173 -5.228 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.911 -14.188 -4.481 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.784 -10.674 -5.396 1.00 0.00 C ATOM 0 H ILE A 17 -6.064 -11.285 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.461 -13.716 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.784 -12.293 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.199 -12.383 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.989 -12.560 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.672 -13.933 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.872 -14.702 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.136 -14.841 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.797 -10.217 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.215 -10.451 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.429 -10.272 -4.614 1.00 0.00 H new ATOM 313 N GLU A 18 -7.625 -13.755 -6.282 1.00 0.00 N ATOM 314 CA GLU A 18 -8.837 -14.566 -6.266 1.00 0.00 C ATOM 315 C GLU A 18 -8.651 -15.809 -5.413 1.00 0.00 C ATOM 316 O GLU A 18 -9.546 -16.646 -5.288 1.00 0.00 O ATOM 317 CB GLU A 18 -9.232 -14.933 -7.693 1.00 0.00 C ATOM 318 CG GLU A 18 -9.088 -16.410 -8.029 1.00 0.00 C ATOM 319 CD GLU A 18 -9.285 -16.694 -9.505 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.251 -16.158 -10.089 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.475 -17.455 -10.076 1.00 0.00 O ATOM 0 H GLU A 18 -7.717 -12.851 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.643 -13.983 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.268 -14.636 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.620 -14.355 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.099 -16.753 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.815 -16.982 -7.452 1.00 0.00 H new ATOM 328 N ASN A 19 -7.482 -15.902 -4.835 1.00 0.00 N ATOM 329 CA ASN A 19 -7.124 -17.023 -3.974 1.00 0.00 C ATOM 330 C ASN A 19 -7.491 -16.729 -2.522 1.00 0.00 C ATOM 331 O ASN A 19 -8.211 -15.773 -2.237 1.00 0.00 O ATOM 332 CB ASN A 19 -5.629 -17.328 -4.089 1.00 0.00 C ATOM 333 CG ASN A 19 -5.336 -18.815 -4.043 1.00 0.00 C ATOM 334 OD1 ASN A 19 -4.721 -19.310 -3.099 1.00 0.00 O ATOM 335 ND2 ASN A 19 -5.777 -19.537 -5.067 1.00 0.00 N ATOM 0 H ASN A 19 -6.743 -15.207 -4.942 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.687 -17.897 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.248 -16.914 -5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.096 -16.830 -3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.610 -20.543 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.283 -19.086 -5.829 1.00 0.00 H new ATOM 342 N ASP A 20 -6.994 -17.556 -1.605 1.00 0.00 N ATOM 343 CA ASP A 20 -7.276 -17.381 -0.187 1.00 0.00 C ATOM 344 C ASP A 20 -5.988 -17.221 0.613 1.00 0.00 C ATOM 345 O ASP A 20 -5.813 -16.242 1.336 1.00 0.00 O ATOM 346 CB ASP A 20 -8.078 -18.568 0.344 1.00 0.00 C ATOM 347 CG ASP A 20 -9.574 -18.364 0.206 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.011 -17.881 -0.859 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.308 -18.688 1.164 1.00 0.00 O ATOM 0 H ASP A 20 -6.395 -18.353 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.865 -16.472 -0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.786 -19.470 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.831 -18.729 1.393 1.00 0.00 H new ATOM 354 N ALA A 21 -5.089 -18.193 0.484 1.00 0.00 N ATOM 355 CA ALA A 21 -3.819 -18.160 1.199 1.00 0.00 C ATOM 356 C ALA A 21 -3.069 -16.861 0.932 1.00 0.00 C ATOM 357 O ALA A 21 -2.497 -16.260 1.843 1.00 0.00 O ATOM 358 CB ALA A 21 -2.963 -19.356 0.811 1.00 0.00 C ATOM 0 H ALA A 21 -5.218 -19.013 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.032 -18.211 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.018 -19.318 1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.489 -20.277 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.768 -19.331 -0.261 1.00 0.00 H new ATOM 364 N GLU A 22 -3.077 -16.431 -0.322 1.00 0.00 N ATOM 365 CA GLU A 22 -2.399 -15.200 -0.712 1.00 0.00 C ATOM 366 C GLU A 22 -3.059 -13.991 -0.059 1.00 0.00 C ATOM 367 O GLU A 22 -2.377 -13.109 0.461 1.00 0.00 O ATOM 368 CB GLU A 22 -2.409 -15.046 -2.233 1.00 0.00 C ATOM 369 CG GLU A 22 -1.190 -15.647 -2.913 1.00 0.00 C ATOM 370 CD GLU A 22 -1.314 -17.144 -3.117 1.00 0.00 C ATOM 371 OE1 GLU A 22 -2.070 -17.557 -4.022 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.658 -17.901 -2.373 1.00 0.00 O ATOM 0 H GLU A 22 -3.545 -16.916 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.366 -15.257 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.307 -15.518 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.468 -13.987 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.042 -15.164 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.304 -15.438 -2.313 1.00 0.00 H new ATOM 379 N LYS A 23 -4.388 -13.959 -0.080 1.00 0.00 N ATOM 380 CA LYS A 23 -5.132 -12.859 0.522 1.00 0.00 C ATOM 381 C LYS A 23 -4.873 -12.807 2.019 1.00 0.00 C ATOM 382 O LYS A 23 -4.820 -11.730 2.611 1.00 0.00 O ATOM 383 CB LYS A 23 -6.630 -13.014 0.249 1.00 0.00 C ATOM 384 CG LYS A 23 -7.331 -11.699 -0.052 1.00 0.00 C ATOM 385 CD LYS A 23 -8.842 -11.857 -0.029 1.00 0.00 C ATOM 386 CE LYS A 23 -9.327 -12.777 -1.138 1.00 0.00 C ATOM 387 NZ LYS A 23 -10.305 -13.781 -0.641 1.00 0.00 N ATOM 0 H LYS A 23 -4.970 -14.680 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.793 -11.925 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.769 -13.692 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.103 -13.479 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.031 -10.949 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.017 -11.333 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.152 -12.256 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.312 -10.879 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.787 -12.182 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.474 -13.290 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.610 -14.388 -1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.859 -14.366 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.131 -13.292 -0.240 1.00 0.00 H new ATOM 401 N ASP A 24 -4.699 -13.976 2.625 1.00 0.00 N ATOM 402 CA ASP A 24 -4.426 -14.055 4.051 1.00 0.00 C ATOM 403 C ASP A 24 -3.120 -13.340 4.372 1.00 0.00 C ATOM 404 O ASP A 24 -3.063 -12.493 5.263 1.00 0.00 O ATOM 405 CB ASP A 24 -4.353 -15.516 4.501 1.00 0.00 C ATOM 406 CG ASP A 24 -5.709 -16.069 4.890 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.127 -15.863 6.048 1.00 0.00 O ATOM 408 OD2 ASP A 24 -6.355 -16.711 4.035 1.00 0.00 O ATOM 0 H ASP A 24 -4.742 -14.878 2.151 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.238 -13.567 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.934 -16.121 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.673 -15.599 5.349 1.00 0.00 H new ATOM 413 N TYR A 25 -2.073 -13.683 3.627 1.00 0.00 N ATOM 414 CA TYR A 25 -0.766 -13.068 3.820 1.00 0.00 C ATOM 415 C TYR A 25 -0.796 -11.599 3.431 1.00 0.00 C ATOM 416 O TYR A 25 -0.316 -10.747 4.178 1.00 0.00 O ATOM 417 CB TYR A 25 0.301 -13.809 3.012 1.00 0.00 C ATOM 418 CG TYR A 25 1.693 -13.242 3.178 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.311 -13.222 4.421 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.389 -12.727 2.091 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.584 -12.706 4.578 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.663 -12.211 2.239 1.00 0.00 C ATOM 423 CZ TYR A 25 4.255 -12.203 3.484 1.00 0.00 C ATOM 424 OH TYR A 25 5.522 -11.689 3.636 1.00 0.00 O ATOM 0 H TYR A 25 -2.105 -14.383 2.885 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.513 -13.137 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.307 -14.857 3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.030 -13.780 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.788 -13.616 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.927 -12.730 1.115 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.050 -12.697 5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.192 -11.816 1.384 1.00 0.00 H new ATOM 0 HH TYR A 25 5.922 -11.538 2.754 1.00 0.00 H new ATOM 434 N LEU A 26 -1.381 -11.295 2.275 1.00 0.00 N ATOM 435 CA LEU A 26 -1.476 -9.912 1.836 1.00 0.00 C ATOM 436 C LEU A 26 -2.206 -9.117 2.899 1.00 0.00 C ATOM 437 O LEU A 26 -1.798 -8.014 3.258 1.00 0.00 O ATOM 438 CB LEU A 26 -2.202 -9.809 0.492 1.00 0.00 C ATOM 439 CG LEU A 26 -2.321 -8.389 -0.069 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.932 -8.358 -1.539 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.735 -7.857 0.120 1.00 0.00 C ATOM 0 H LEU A 26 -1.789 -11.978 1.637 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.474 -9.508 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.678 -10.429 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.203 -10.225 0.604 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.634 -7.746 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.023 -7.340 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.901 -8.695 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.592 -9.016 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.801 -6.847 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.440 -8.504 -0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.978 -7.839 1.182 1.00 0.00 H new ATOM 453 N TYR A 27 -3.263 -9.714 3.439 1.00 0.00 N ATOM 454 CA TYR A 27 -4.008 -9.079 4.510 1.00 0.00 C ATOM 455 C TYR A 27 -3.071 -8.876 5.696 1.00 0.00 C ATOM 456 O TYR A 27 -3.170 -7.887 6.422 1.00 0.00 O ATOM 457 CB TYR A 27 -5.209 -9.932 4.923 1.00 0.00 C ATOM 458 CG TYR A 27 -6.508 -9.502 4.280 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.930 -8.179 4.342 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.312 -10.417 3.612 1.00 0.00 C ATOM 461 CE1 TYR A 27 -8.118 -7.781 3.756 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.500 -10.026 3.023 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.898 -8.708 3.098 1.00 0.00 C ATOM 464 OH TYR A 27 -10.080 -8.316 2.514 1.00 0.00 O ATOM 0 H TYR A 27 -3.617 -10.627 3.154 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.390 -8.118 4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.012 -10.972 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.318 -9.890 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.321 -7.450 4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.004 -11.450 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.433 -6.750 3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.113 -10.749 2.507 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.335 -7.433 2.853 1.00 0.00 H new ATOM 474 N ASP A 28 -2.139 -9.821 5.866 1.00 0.00 N ATOM 475 CA ASP A 28 -1.165 -9.745 6.939 1.00 0.00 C ATOM 476 C ASP A 28 -0.138 -8.656 6.643 1.00 0.00 C ATOM 477 O ASP A 28 0.362 -7.998 7.557 1.00 0.00 O ATOM 478 CB ASP A 28 -0.463 -11.091 7.118 1.00 0.00 C ATOM 479 CG ASP A 28 -0.040 -11.336 8.553 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.902 -11.722 9.370 1.00 0.00 O ATOM 481 OD2 ASP A 28 1.155 -11.140 8.862 1.00 0.00 O ATOM 0 H ASP A 28 -2.046 -10.643 5.270 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.687 -9.497 7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.130 -11.891 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.414 -11.129 6.472 1.00 0.00 H new ATOM 486 N VAL A 29 0.174 -8.462 5.359 1.00 0.00 N ATOM 487 CA VAL A 29 1.137 -7.446 4.962 1.00 0.00 C ATOM 488 C VAL A 29 0.627 -6.053 5.309 1.00 0.00 C ATOM 489 O VAL A 29 1.301 -5.289 6.000 1.00 0.00 O ATOM 490 CB VAL A 29 1.444 -7.511 3.451 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.463 -6.449 3.062 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.938 -8.897 3.065 1.00 0.00 C ATOM 0 H VAL A 29 -0.226 -8.994 4.586 1.00 0.00 H new ATOM 0 HA VAL A 29 2.056 -7.646 5.513 1.00 0.00 H new ATOM 0 HB VAL A 29 0.521 -7.312 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.665 -6.513 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.067 -5.461 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.388 -6.612 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.149 -8.923 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.847 -9.127 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.172 -9.635 3.302 1.00 0.00 H new ATOM 502 N LEU A 30 -0.572 -5.730 4.835 1.00 0.00 N ATOM 503 CA LEU A 30 -1.171 -4.432 5.111 1.00 0.00 C ATOM 504 C LEU A 30 -1.327 -4.232 6.613 1.00 0.00 C ATOM 505 O LEU A 30 -1.098 -3.141 7.136 1.00 0.00 O ATOM 506 CB LEU A 30 -2.532 -4.315 4.420 1.00 0.00 C ATOM 507 CG LEU A 30 -2.476 -4.205 2.892 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.132 -5.414 2.243 1.00 0.00 C ATOM 509 CD2 LEU A 30 -3.141 -2.919 2.423 1.00 0.00 C ATOM 0 H LEU A 30 -1.145 -6.348 4.260 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.513 -3.656 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.133 -5.185 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.048 -3.439 4.814 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.429 -4.180 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.082 -5.317 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.610 -6.320 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.175 -5.473 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.091 -2.859 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.184 -2.912 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.625 -2.063 2.858 1.00 0.00 H new ATOM 521 N ARG A 31 -1.706 -5.304 7.302 1.00 0.00 N ATOM 522 CA ARG A 31 -1.882 -5.262 8.747 1.00 0.00 C ATOM 523 C ARG A 31 -0.596 -4.808 9.429 1.00 0.00 C ATOM 524 O ARG A 31 -0.627 -4.031 10.383 1.00 0.00 O ATOM 525 CB ARG A 31 -2.299 -6.636 9.274 1.00 0.00 C ATOM 526 CG ARG A 31 -2.492 -6.679 10.783 1.00 0.00 C ATOM 527 CD ARG A 31 -3.935 -6.976 11.161 1.00 0.00 C ATOM 528 NE ARG A 31 -4.485 -5.960 12.055 1.00 0.00 N ATOM 529 CZ ARG A 31 -5.557 -6.149 12.822 1.00 0.00 C ATOM 530 NH1 ARG A 31 -6.196 -7.311 12.807 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.991 -5.171 13.605 1.00 0.00 N ATOM 0 H ARG A 31 -1.897 -6.213 6.881 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.670 -4.545 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.228 -6.935 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.543 -7.368 8.992 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.840 -7.441 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.193 -5.724 11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.543 -7.032 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.990 -7.952 11.643 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.021 -5.053 12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.867 -8.066 12.206 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.017 -7.449 13.397 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.504 -4.275 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.812 -5.315 14.193 1.00 0.00 H new ATOM 545 N MET A 32 0.536 -5.292 8.924 1.00 0.00 N ATOM 546 CA MET A 32 1.832 -4.925 9.479 1.00 0.00 C ATOM 547 C MET A 32 2.182 -3.491 9.096 1.00 0.00 C ATOM 548 O MET A 32 2.647 -2.709 9.925 1.00 0.00 O ATOM 549 CB MET A 32 2.918 -5.883 8.982 1.00 0.00 C ATOM 550 CG MET A 32 3.355 -6.900 10.025 1.00 0.00 C ATOM 551 SD MET A 32 5.056 -7.448 9.789 1.00 0.00 S ATOM 552 CE MET A 32 5.935 -5.892 9.923 1.00 0.00 C ATOM 0 H MET A 32 0.580 -5.937 8.135 1.00 0.00 H new ATOM 0 HA MET A 32 1.776 -4.996 10.565 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.550 -6.412 8.103 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.785 -5.303 8.666 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.252 -6.463 11.018 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.690 -7.763 9.986 1.00 0.00 H new ATOM 0 HE1 MET A 32 7.004 -6.085 10.012 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.748 -5.291 9.033 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.588 -5.353 10.805 1.00 0.00 H new ATOM 562 N TYR A 33 1.944 -3.152 7.834 1.00 0.00 N ATOM 563 CA TYR A 33 2.223 -1.812 7.333 1.00 0.00 C ATOM 564 C TYR A 33 1.389 -0.767 8.072 1.00 0.00 C ATOM 565 O TYR A 33 1.703 0.422 8.039 1.00 0.00 O ATOM 566 CB TYR A 33 1.942 -1.741 5.830 1.00 0.00 C ATOM 567 CG TYR A 33 2.118 -0.360 5.238 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.222 0.420 5.561 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.180 0.164 4.358 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.385 1.683 5.025 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.336 1.426 3.817 1.00 0.00 C ATOM 572 CZ TYR A 33 2.440 2.180 4.152 1.00 0.00 C ATOM 573 OH TYR A 33 2.599 3.437 3.616 1.00 0.00 O ATOM 0 H TYR A 33 1.557 -3.789 7.138 1.00 0.00 H new ATOM 0 HA TYR A 33 3.277 -1.596 7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.605 -2.434 5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.922 -2.078 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.965 0.032 6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.314 -0.425 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.247 2.278 5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.597 1.819 3.135 1.00 0.00 H new ATOM 0 HH TYR A 33 3.443 3.823 3.932 1.00 0.00 H new ATOM 583 N HIS A 34 0.326 -1.212 8.732 1.00 0.00 N ATOM 584 CA HIS A 34 -0.545 -0.304 9.468 1.00 0.00 C ATOM 585 C HIS A 34 -0.014 -0.045 10.877 1.00 0.00 C ATOM 586 O HIS A 34 -0.078 1.080 11.375 1.00 0.00 O ATOM 587 CB HIS A 34 -1.962 -0.880 9.547 1.00 0.00 C ATOM 588 CG HIS A 34 -2.937 0.021 10.235 1.00 0.00 C ATOM 589 ND1 HIS A 34 -3.067 0.085 11.606 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.837 0.902 9.733 1.00 0.00 C ATOM 591 CE1 HIS A 34 -4.003 0.963 11.918 1.00 0.00 C ATOM 592 NE2 HIS A 34 -4.485 1.473 10.802 1.00 0.00 N ATOM 0 H HIS A 34 0.047 -2.192 8.773 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.568 0.645 8.932 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.319 -1.084 8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.929 -1.834 10.073 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.525 -0.461 12.275 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.012 1.115 8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.320 1.220 12.918 1.00 0.00 H new ATOM 601 N GLN A 35 0.490 -1.093 11.521 1.00 0.00 N ATOM 602 CA GLN A 35 1.010 -0.978 12.881 1.00 0.00 C ATOM 603 C GLN A 35 2.407 -0.362 12.915 1.00 0.00 C ATOM 604 O GLN A 35 2.615 0.698 13.505 1.00 0.00 O ATOM 605 CB GLN A 35 1.037 -2.354 13.551 1.00 0.00 C ATOM 606 CG GLN A 35 0.584 -2.331 15.002 1.00 0.00 C ATOM 607 CD GLN A 35 -0.922 -2.433 15.143 1.00 0.00 C ATOM 608 OE1 GLN A 35 -1.621 -1.421 15.209 1.00 0.00 O ATOM 609 NE2 GLN A 35 -1.429 -3.659 15.191 1.00 0.00 N ATOM 0 H GLN A 35 0.550 -2.031 11.124 1.00 0.00 H new ATOM 0 HA GLN A 35 0.342 -0.312 13.427 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.397 -3.035 12.990 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.050 -2.754 13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.052 -3.156 15.538 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.928 -1.410 15.472 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.812 -4.469 15.133 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.436 -3.791 15.286 1.00 0.00 H new ATOM 618 N THR A 36 3.362 -1.042 12.297 1.00 0.00 N ATOM 619 CA THR A 36 4.747 -0.575 12.275 1.00 0.00 C ATOM 620 C THR A 36 4.944 0.564 11.277 1.00 0.00 C ATOM 621 O THR A 36 5.823 1.408 11.458 1.00 0.00 O ATOM 622 CB THR A 36 5.695 -1.728 11.941 1.00 0.00 C ATOM 623 OG1 THR A 36 6.990 -1.240 11.644 1.00 0.00 O ATOM 624 CG2 THR A 36 5.238 -2.562 10.765 1.00 0.00 C ATOM 0 H THR A 36 3.206 -1.920 11.803 1.00 0.00 H new ATOM 0 HA THR A 36 4.978 -0.195 13.270 1.00 0.00 H new ATOM 0 HB THR A 36 5.703 -2.360 12.829 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.583 -1.992 11.434 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.957 -3.361 10.584 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.262 -2.995 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.165 -1.932 9.879 1.00 0.00 H new ATOM 632 N MET A 37 4.132 0.587 10.228 1.00 0.00 N ATOM 633 CA MET A 37 4.232 1.628 9.207 1.00 0.00 C ATOM 634 C MET A 37 5.515 1.468 8.395 1.00 0.00 C ATOM 635 O MET A 37 6.189 2.447 8.075 1.00 0.00 O ATOM 636 CB MET A 37 4.179 3.018 9.853 1.00 0.00 C ATOM 637 CG MET A 37 2.966 3.834 9.435 1.00 0.00 C ATOM 638 SD MET A 37 1.509 3.473 10.433 1.00 0.00 S ATOM 639 CE MET A 37 0.267 3.271 9.159 1.00 0.00 C ATOM 0 H MET A 37 3.398 -0.101 10.060 1.00 0.00 H new ATOM 0 HA MET A 37 3.384 1.525 8.530 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.176 2.906 10.937 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.084 3.566 9.591 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.202 4.895 9.514 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.742 3.635 8.387 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.621 2.806 9.587 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.004 4.246 8.750 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.661 2.638 8.364 1.00 0.00 H new ATOM 649 N ASP A 38 5.844 0.224 8.063 1.00 0.00 N ATOM 650 CA ASP A 38 7.043 -0.071 7.286 1.00 0.00 C ATOM 651 C ASP A 38 6.691 -0.354 5.830 1.00 0.00 C ATOM 652 O ASP A 38 6.054 -1.359 5.517 1.00 0.00 O ATOM 653 CB ASP A 38 7.781 -1.270 7.887 1.00 0.00 C ATOM 654 CG ASP A 38 6.868 -2.459 8.116 1.00 0.00 C ATOM 655 OD1 ASP A 38 5.663 -2.355 7.798 1.00 0.00 O ATOM 656 OD2 ASP A 38 7.355 -3.494 8.615 1.00 0.00 O ATOM 0 H ASP A 38 5.296 -0.597 8.320 1.00 0.00 H new ATOM 0 HA ASP A 38 7.694 0.803 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.594 -1.563 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.234 -0.976 8.834 1.00 0.00 H new ATOM 661 N VAL A 39 7.111 0.542 4.943 1.00 0.00 N ATOM 662 CA VAL A 39 6.840 0.394 3.519 1.00 0.00 C ATOM 663 C VAL A 39 7.838 -0.553 2.859 1.00 0.00 C ATOM 664 O VAL A 39 7.551 -1.143 1.817 1.00 0.00 O ATOM 665 CB VAL A 39 6.886 1.754 2.796 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.446 1.608 1.347 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.023 2.775 3.523 1.00 0.00 C ATOM 0 H VAL A 39 7.641 1.379 5.186 1.00 0.00 H new ATOM 0 HA VAL A 39 5.838 -0.025 3.432 1.00 0.00 H new ATOM 0 HB VAL A 39 7.916 2.111 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.486 2.580 0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.111 0.914 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.426 1.226 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.068 3.729 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.991 2.425 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.391 2.903 4.541 1.00 0.00 H new ATOM 677 N ALA A 40 9.007 -0.701 3.473 1.00 0.00 N ATOM 678 CA ALA A 40 10.038 -1.579 2.941 1.00 0.00 C ATOM 679 C ALA A 40 9.671 -3.035 3.174 1.00 0.00 C ATOM 680 O ALA A 40 10.047 -3.914 2.399 1.00 0.00 O ATOM 681 CB ALA A 40 11.384 -1.260 3.572 1.00 0.00 C ATOM 0 H ALA A 40 9.262 -0.224 4.338 1.00 0.00 H new ATOM 0 HA ALA A 40 10.113 -1.412 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.144 -1.926 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.652 -0.226 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.322 -1.399 4.651 1.00 0.00 H new ATOM 687 N VAL A 41 8.932 -3.283 4.248 1.00 0.00 N ATOM 688 CA VAL A 41 8.513 -4.632 4.581 1.00 0.00 C ATOM 689 C VAL A 41 7.322 -5.060 3.728 1.00 0.00 C ATOM 690 O VAL A 41 7.275 -6.188 3.237 1.00 0.00 O ATOM 691 CB VAL A 41 8.151 -4.761 6.074 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.696 -6.177 6.399 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.336 -4.365 6.942 1.00 0.00 C ATOM 0 H VAL A 41 8.613 -2.567 4.900 1.00 0.00 H new ATOM 0 HA VAL A 41 9.357 -5.289 4.372 1.00 0.00 H new ATOM 0 HB VAL A 41 7.324 -4.083 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.446 -6.245 7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.818 -6.423 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.498 -6.878 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.065 -4.461 7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.181 -5.018 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.612 -3.332 6.732 1.00 0.00 H new ATOM 703 N LEU A 42 6.361 -4.157 3.555 1.00 0.00 N ATOM 704 CA LEU A 42 5.178 -4.456 2.760 1.00 0.00 C ATOM 705 C LEU A 42 5.561 -4.720 1.306 1.00 0.00 C ATOM 706 O LEU A 42 5.030 -5.632 0.673 1.00 0.00 O ATOM 707 CB LEU A 42 4.154 -3.318 2.858 1.00 0.00 C ATOM 708 CG LEU A 42 4.376 -2.134 1.912 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.822 -2.444 0.529 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.727 -0.879 2.476 1.00 0.00 C ATOM 0 H LEU A 42 6.379 -3.218 3.953 1.00 0.00 H new ATOM 0 HA LEU A 42 4.717 -5.359 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.163 -3.730 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.152 -2.944 3.882 1.00 0.00 H new ATOM 0 HG LEU A 42 5.448 -1.960 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.989 -1.591 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.327 -3.320 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.753 -2.643 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.893 -0.046 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.656 -1.045 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.167 -0.647 3.446 1.00 0.00 H new ATOM 722 N VAL A 43 6.496 -3.927 0.786 1.00 0.00 N ATOM 723 CA VAL A 43 6.950 -4.097 -0.588 1.00 0.00 C ATOM 724 C VAL A 43 7.559 -5.483 -0.778 1.00 0.00 C ATOM 725 O VAL A 43 7.294 -6.160 -1.773 1.00 0.00 O ATOM 726 CB VAL A 43 7.989 -3.024 -0.981 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.493 -3.252 -2.399 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.394 -1.632 -0.842 1.00 0.00 C ATOM 0 H VAL A 43 6.950 -3.167 1.293 1.00 0.00 H new ATOM 0 HA VAL A 43 6.079 -3.986 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 43 8.838 -3.106 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.224 -2.484 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.961 -4.234 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.656 -3.201 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.139 -0.888 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.526 -1.540 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.089 -1.468 0.192 1.00 0.00 H new ATOM 738 N GLY A 44 8.370 -5.903 0.189 1.00 0.00 N ATOM 739 CA GLY A 44 8.997 -7.209 0.116 1.00 0.00 C ATOM 740 C GLY A 44 7.977 -8.328 0.045 1.00 0.00 C ATOM 741 O GLY A 44 8.087 -9.226 -0.789 1.00 0.00 O ATOM 0 H GLY A 44 8.603 -5.362 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.643 -7.252 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.634 -7.354 0.989 1.00 0.00 H new ATOM 745 N ASP A 45 6.977 -8.266 0.918 1.00 0.00 N ATOM 746 CA ASP A 45 5.927 -9.276 0.949 1.00 0.00 C ATOM 747 C ASP A 45 5.163 -9.294 -0.371 1.00 0.00 C ATOM 748 O ASP A 45 4.970 -10.351 -0.978 1.00 0.00 O ATOM 749 CB ASP A 45 4.964 -9.010 2.107 1.00 0.00 C ATOM 750 CG ASP A 45 5.670 -8.962 3.447 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.810 -9.466 3.537 1.00 0.00 O ATOM 752 OD2 ASP A 45 5.083 -8.422 4.409 1.00 0.00 O ATOM 0 H ASP A 45 6.872 -7.527 1.613 1.00 0.00 H new ATOM 0 HA ASP A 45 6.394 -10.250 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.448 -8.065 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.202 -9.789 2.129 1.00 0.00 H new ATOM 757 N LEU A 46 4.735 -8.115 -0.817 1.00 0.00 N ATOM 758 CA LEU A 46 3.998 -7.995 -2.070 1.00 0.00 C ATOM 759 C LEU A 46 4.737 -8.712 -3.195 1.00 0.00 C ATOM 760 O LEU A 46 4.120 -9.346 -4.050 1.00 0.00 O ATOM 761 CB LEU A 46 3.793 -6.521 -2.431 1.00 0.00 C ATOM 762 CG LEU A 46 2.463 -5.916 -1.969 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.368 -4.460 -2.396 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.287 -6.711 -2.524 1.00 0.00 C ATOM 0 H LEU A 46 4.886 -7.232 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 46 3.022 -8.463 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.608 -5.941 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.866 -6.415 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 46 2.424 -5.964 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.418 -4.044 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.188 -3.896 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.430 -4.395 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.353 -6.264 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.320 -6.697 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.346 -7.741 -2.172 1.00 0.00 H new ATOM 776 N LYS A 47 6.063 -8.617 -3.182 1.00 0.00 N ATOM 777 CA LYS A 47 6.884 -9.269 -4.194 1.00 0.00 C ATOM 778 C LYS A 47 6.800 -10.785 -4.045 1.00 0.00 C ATOM 779 O LYS A 47 6.544 -11.503 -5.013 1.00 0.00 O ATOM 780 CB LYS A 47 8.340 -8.811 -4.079 1.00 0.00 C ATOM 781 CG LYS A 47 8.664 -7.597 -4.936 1.00 0.00 C ATOM 782 CD LYS A 47 9.354 -6.510 -4.127 1.00 0.00 C ATOM 783 CE LYS A 47 10.236 -5.638 -5.006 1.00 0.00 C ATOM 784 NZ LYS A 47 9.440 -4.860 -5.994 1.00 0.00 N ATOM 0 H LYS A 47 6.591 -8.095 -2.482 1.00 0.00 H new ATOM 0 HA LYS A 47 6.507 -8.989 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.558 -8.579 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.995 -9.634 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.305 -7.897 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.746 -7.201 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.605 -5.891 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.958 -6.966 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.808 -4.953 -4.380 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.956 -6.264 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.079 -4.279 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.914 -5.514 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.770 -4.243 -5.492 1.00 0.00 H new ATOM 798 N LEU A 48 7.001 -11.264 -2.819 1.00 0.00 N ATOM 799 CA LEU A 48 6.936 -12.695 -2.538 1.00 0.00 C ATOM 800 C LEU A 48 5.629 -13.284 -3.060 1.00 0.00 C ATOM 801 O LEU A 48 5.558 -14.466 -3.394 1.00 0.00 O ATOM 802 CB LEU A 48 7.059 -12.947 -1.035 1.00 0.00 C ATOM 803 CG LEU A 48 8.477 -12.837 -0.473 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.440 -12.416 0.988 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.217 -14.155 -0.632 1.00 0.00 C ATOM 0 H LEU A 48 7.210 -10.683 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 48 7.767 -13.183 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.421 -12.237 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.674 -13.943 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 48 9.013 -12.073 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.458 -12.343 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.949 -11.447 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.887 -13.156 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.224 -14.058 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.683 -14.939 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.275 -14.415 -1.689 1.00 0.00 H new ATOM 817 N VAL A 49 4.601 -12.444 -3.141 1.00 0.00 N ATOM 818 CA VAL A 49 3.301 -12.870 -3.636 1.00 0.00 C ATOM 819 C VAL A 49 3.143 -12.488 -5.103 1.00 0.00 C ATOM 820 O VAL A 49 2.411 -13.136 -5.852 1.00 0.00 O ATOM 821 CB VAL A 49 2.154 -12.239 -2.824 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.804 -12.751 -3.309 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.334 -12.517 -1.340 1.00 0.00 C ATOM 0 H VAL A 49 4.646 -11.462 -2.869 1.00 0.00 H new ATOM 0 HA VAL A 49 3.249 -13.953 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 49 2.181 -11.160 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.009 -12.292 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.674 -12.494 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.762 -13.834 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.514 -12.063 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.337 -13.594 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.280 -12.094 -1.003 1.00 0.00 H new ATOM 833 N ILE A 50 3.836 -11.427 -5.502 1.00 0.00 N ATOM 834 CA ILE A 50 3.782 -10.947 -6.874 1.00 0.00 C ATOM 835 C ILE A 50 5.052 -11.306 -7.639 1.00 0.00 C ATOM 836 O ILE A 50 5.418 -10.647 -8.613 1.00 0.00 O ATOM 837 CB ILE A 50 3.567 -9.422 -6.919 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.339 -9.036 -6.095 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.415 -8.943 -8.351 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.402 -7.630 -5.545 1.00 0.00 C ATOM 0 H ILE A 50 4.444 -10.882 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 50 2.935 -11.439 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 50 4.444 -8.938 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.448 -9.136 -6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.231 -9.737 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.264 -7.864 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.316 -9.188 -8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.556 -9.433 -8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.499 -7.423 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.274 -7.531 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.479 -6.920 -6.369 1.00 0.00 H new ATOM 852 N ASN A 51 5.718 -12.360 -7.191 1.00 0.00 N ATOM 853 CA ASN A 51 6.949 -12.823 -7.829 1.00 0.00 C ATOM 854 C ASN A 51 6.779 -12.907 -9.346 1.00 0.00 C ATOM 855 O ASN A 51 7.739 -12.746 -10.099 1.00 0.00 O ATOM 856 CB ASN A 51 7.356 -14.188 -7.269 1.00 0.00 C ATOM 857 CG ASN A 51 8.754 -14.178 -6.681 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.640 -14.898 -7.145 1.00 0.00 O ATOM 859 ND2 ASN A 51 8.960 -13.360 -5.656 1.00 0.00 N ATOM 0 H ASN A 51 5.428 -12.915 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 51 7.736 -12.101 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.644 -14.490 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.304 -14.933 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.881 -13.310 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.197 -12.781 -5.304 1.00 0.00 H new ATOM 866 N GLU A 52 5.547 -13.155 -9.783 1.00 0.00 N ATOM 867 CA GLU A 52 5.245 -13.256 -11.205 1.00 0.00 C ATOM 868 C GLU A 52 4.657 -11.946 -11.725 1.00 0.00 C ATOM 869 O GLU A 52 4.050 -11.186 -10.971 1.00 0.00 O ATOM 870 CB GLU A 52 4.269 -14.406 -11.462 1.00 0.00 C ATOM 871 CG GLU A 52 4.716 -15.727 -10.859 1.00 0.00 C ATOM 872 CD GLU A 52 3.930 -16.097 -9.616 1.00 0.00 C ATOM 873 OE1 GLU A 52 2.713 -15.820 -9.578 1.00 0.00 O ATOM 874 OE2 GLU A 52 4.532 -16.664 -8.680 1.00 0.00 O ATOM 0 H GLU A 52 4.742 -13.290 -9.171 1.00 0.00 H new ATOM 0 HA GLU A 52 6.175 -13.456 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.293 -14.142 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.142 -14.531 -12.537 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.606 -16.517 -11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.776 -15.668 -10.610 1.00 0.00 H new ATOM 881 N PRO A 53 4.833 -11.663 -13.028 1.00 0.00 N ATOM 882 CA PRO A 53 4.320 -10.435 -13.647 1.00 0.00 C ATOM 883 C PRO A 53 2.795 -10.380 -13.680 1.00 0.00 C ATOM 884 O PRO A 53 2.207 -9.308 -13.817 1.00 0.00 O ATOM 885 CB PRO A 53 4.883 -10.482 -15.066 1.00 0.00 C ATOM 886 CG PRO A 53 5.145 -11.920 -15.319 1.00 0.00 C ATOM 887 CD PRO A 53 5.547 -12.509 -13.997 1.00 0.00 C ATOM 0 HA PRO A 53 4.619 -9.551 -13.084 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.174 -10.076 -15.787 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.796 -9.892 -15.150 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.257 -12.415 -15.712 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.935 -12.048 -16.059 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.252 -13.555 -13.914 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.626 -12.470 -13.849 1.00 0.00 H new ATOM 895 N SER A 54 2.160 -11.541 -13.557 1.00 0.00 N ATOM 896 CA SER A 54 0.703 -11.622 -13.578 1.00 0.00 C ATOM 897 C SER A 54 0.090 -10.859 -12.406 1.00 0.00 C ATOM 898 O SER A 54 -0.954 -10.224 -12.547 1.00 0.00 O ATOM 899 CB SER A 54 0.253 -13.083 -13.542 1.00 0.00 C ATOM 900 OG SER A 54 -0.886 -13.287 -14.364 1.00 0.00 O ATOM 0 H SER A 54 2.631 -12.439 -13.442 1.00 0.00 H new ATOM 0 HA SER A 54 0.355 -11.162 -14.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.067 -13.726 -13.877 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.021 -13.370 -12.516 1.00 0.00 H new ATOM 0 HG SER A 54 -1.153 -14.229 -14.325 1.00 0.00 H new ATOM 906 N ARG A 55 0.742 -10.932 -11.249 1.00 0.00 N ATOM 907 CA ARG A 55 0.255 -10.251 -10.053 1.00 0.00 C ATOM 908 C ARG A 55 0.777 -8.816 -9.968 1.00 0.00 C ATOM 909 O ARG A 55 0.655 -8.167 -8.929 1.00 0.00 O ATOM 910 CB ARG A 55 0.665 -11.029 -8.801 1.00 0.00 C ATOM 911 CG ARG A 55 -0.110 -12.324 -8.609 1.00 0.00 C ATOM 912 CD ARG A 55 0.816 -13.531 -8.544 1.00 0.00 C ATOM 913 NE ARG A 55 0.381 -14.604 -9.436 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.600 -15.455 -9.150 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.254 -15.362 -7.998 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.931 -16.401 -10.017 1.00 0.00 N ATOM 0 H ARG A 55 1.607 -11.455 -11.114 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.832 -10.209 -10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.729 -11.257 -8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.520 -10.395 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.696 -12.265 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.816 -12.451 -9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.828 -13.226 -8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.854 -13.904 -7.520 1.00 0.00 H new ATOM 0 HE ARG A 55 0.858 -14.706 -10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.005 -14.635 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.006 -16.017 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.433 -16.477 -10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.684 -17.054 -9.797 1.00 0.00 H new ATOM 930 N LEU A 56 1.353 -8.322 -11.060 1.00 0.00 N ATOM 931 CA LEU A 56 1.889 -6.963 -11.102 1.00 0.00 C ATOM 932 C LEU A 56 0.861 -5.932 -10.626 1.00 0.00 C ATOM 933 O LEU A 56 1.147 -5.133 -9.734 1.00 0.00 O ATOM 934 CB LEU A 56 2.346 -6.621 -12.522 1.00 0.00 C ATOM 935 CG LEU A 56 3.818 -6.922 -12.816 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.043 -7.064 -14.314 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.708 -5.831 -12.242 1.00 0.00 C ATOM 0 H LEU A 56 1.461 -8.843 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 56 2.741 -6.925 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.729 -7.174 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.164 -5.561 -12.701 1.00 0.00 H new ATOM 0 HG LEU A 56 4.081 -7.866 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.095 -7.278 -14.505 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.431 -7.880 -14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.765 -6.136 -14.813 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.751 -6.060 -12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.446 -4.873 -12.691 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.566 -5.776 -11.163 1.00 0.00 H new ATOM 949 N PRO A 57 -0.349 -5.926 -11.222 1.00 0.00 N ATOM 950 CA PRO A 57 -1.417 -4.986 -10.872 1.00 0.00 C ATOM 951 C PRO A 57 -1.513 -4.693 -9.373 1.00 0.00 C ATOM 952 O PRO A 57 -1.958 -3.616 -8.976 1.00 0.00 O ATOM 953 CB PRO A 57 -2.696 -5.685 -11.366 1.00 0.00 C ATOM 954 CG PRO A 57 -2.255 -6.958 -12.025 1.00 0.00 C ATOM 955 CD PRO A 57 -0.784 -6.820 -12.297 1.00 0.00 C ATOM 0 HA PRO A 57 -1.239 -4.011 -11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.371 -5.891 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.238 -5.052 -12.068 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.450 -7.815 -11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.805 -7.124 -12.951 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.272 -7.781 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.591 -6.395 -13.282 1.00 0.00 H new ATOM 963 N LEU A 58 -1.105 -5.649 -8.541 1.00 0.00 N ATOM 964 CA LEU A 58 -1.162 -5.467 -7.093 1.00 0.00 C ATOM 965 C LEU A 58 -0.443 -4.188 -6.672 1.00 0.00 C ATOM 966 O LEU A 58 -1.014 -3.348 -5.979 1.00 0.00 O ATOM 967 CB LEU A 58 -0.544 -6.670 -6.376 1.00 0.00 C ATOM 968 CG LEU A 58 -1.453 -7.347 -5.348 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.755 -8.544 -4.725 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.873 -6.355 -4.275 1.00 0.00 C ATOM 0 H LEU A 58 -0.734 -6.550 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.211 -5.384 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.252 -7.408 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.368 -6.346 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.348 -7.701 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.417 -9.013 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.504 -9.265 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.157 -8.215 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.519 -6.853 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.988 -5.972 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.414 -5.528 -4.736 1.00 0.00 H new ATOM 982 N PHE A 59 0.808 -4.047 -7.099 1.00 0.00 N ATOM 983 CA PHE A 59 1.604 -2.868 -6.766 1.00 0.00 C ATOM 984 C PHE A 59 0.845 -1.582 -7.087 1.00 0.00 C ATOM 985 O PHE A 59 0.851 -0.631 -6.302 1.00 0.00 O ATOM 986 CB PHE A 59 2.928 -2.890 -7.533 1.00 0.00 C ATOM 987 CG PHE A 59 3.717 -4.155 -7.345 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.127 -4.551 -6.083 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.052 -4.945 -8.433 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.855 -5.712 -5.908 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.780 -6.106 -8.265 1.00 0.00 C ATOM 992 CZ PHE A 59 5.182 -6.490 -7.001 1.00 0.00 C ATOM 0 H PHE A 59 1.293 -4.734 -7.676 1.00 0.00 H new ATOM 0 HA PHE A 59 1.805 -2.891 -5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.724 -2.755 -8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.536 -2.043 -7.215 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.875 -3.945 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.740 -4.649 -9.424 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.168 -6.011 -4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.035 -6.713 -9.121 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.752 -7.398 -6.867 1.00 0.00 H new ATOM 1002 N ASP A 60 0.184 -1.565 -8.238 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.586 -0.402 -8.656 1.00 0.00 C ATOM 1004 C ASP A 60 -1.839 -0.271 -7.806 1.00 0.00 C ATOM 1005 O ASP A 60 -2.340 0.827 -7.579 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.965 -0.514 -10.134 1.00 0.00 C ATOM 1007 CG ASP A 60 0.092 0.074 -11.048 1.00 0.00 C ATOM 1008 OD1 ASP A 60 1.101 -0.615 -11.310 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -0.089 1.224 -11.503 1.00 0.00 O ATOM 0 H ASP A 60 0.166 -2.343 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 60 0.029 0.488 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.119 -1.563 -10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.913 -0.003 -10.303 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.335 -1.407 -7.334 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.524 -1.441 -6.501 1.00 0.00 C ATOM 1016 C ALA A 61 -3.268 -0.799 -5.138 1.00 0.00 C ATOM 1017 O ALA A 61 -4.121 -0.091 -4.603 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.990 -2.878 -6.334 1.00 0.00 C ATOM 0 H ALA A 61 -1.926 -2.323 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.306 -0.863 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.882 -2.901 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.221 -3.301 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.201 -3.464 -5.862 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.089 -1.064 -4.577 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.719 -0.525 -3.271 1.00 0.00 C ATOM 1026 C ILE A 62 -1.356 0.957 -3.344 1.00 0.00 C ATOM 1027 O ILE A 62 -1.616 1.714 -2.412 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.530 -1.291 -2.641 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.487 -2.751 -3.109 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.611 -1.231 -1.124 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -1.829 -3.448 -3.082 1.00 0.00 C ATOM 0 H ILE A 62 -1.374 -1.650 -5.008 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.601 -0.650 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 62 0.389 -0.807 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.093 -2.784 -4.125 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.210 -3.303 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.231 -1.773 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.578 -0.191 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.544 -1.685 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.712 -4.475 -3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.218 -3.449 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.525 -2.922 -3.736 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.728 1.362 -4.443 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.299 2.753 -4.618 1.00 0.00 C ATOM 1045 C ARG A 63 -1.373 3.760 -4.181 1.00 0.00 C ATOM 1046 O ARG A 63 -1.101 4.648 -3.374 1.00 0.00 O ATOM 1047 CB ARG A 63 0.081 3.003 -6.080 1.00 0.00 C ATOM 1048 CG ARG A 63 1.427 3.690 -6.247 1.00 0.00 C ATOM 1049 CD ARG A 63 2.189 3.141 -7.443 1.00 0.00 C ATOM 1050 NE ARG A 63 1.568 3.519 -8.710 1.00 0.00 N ATOM 1051 CZ ARG A 63 1.584 4.755 -9.204 1.00 0.00 C ATOM 1052 NH1 ARG A 63 2.189 5.734 -8.543 1.00 0.00 N ATOM 1053 NH2 ARG A 63 0.994 5.013 -10.365 1.00 0.00 N ATOM 0 H ARG A 63 -0.503 0.750 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 63 0.568 2.904 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.100 2.051 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.691 3.614 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.276 4.762 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.020 3.554 -5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.215 3.508 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.238 2.054 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 63 1.094 2.793 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.645 5.541 -7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.198 6.679 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.529 4.264 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.006 5.960 -10.744 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.601 3.650 -4.719 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.696 4.569 -4.391 1.00 0.00 C ATOM 1069 C PRO A 64 -3.820 4.867 -2.898 1.00 0.00 C ATOM 1070 O PRO A 64 -3.822 6.028 -2.491 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.931 3.817 -4.882 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.441 2.993 -6.022 1.00 0.00 C ATOM 1073 CD PRO A 64 -3.009 2.638 -5.709 1.00 0.00 C ATOM 0 HA PRO A 64 -3.544 5.547 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.354 3.193 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.715 4.506 -5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.047 2.094 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.508 3.547 -6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.927 1.629 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.384 2.677 -6.601 1.00 0.00 H new ATOM 1081 N LEU A 65 -3.923 3.821 -2.082 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.048 4.001 -0.637 1.00 0.00 C ATOM 1083 C LEU A 65 -2.714 4.407 -0.015 1.00 0.00 C ATOM 1084 O LEU A 65 -2.679 5.053 1.031 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.584 2.733 0.041 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.147 1.407 -0.586 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.960 0.346 0.486 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.162 0.949 -1.621 1.00 0.00 C ATOM 0 H LEU A 65 -3.923 2.849 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.765 4.805 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.269 2.741 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.673 2.774 0.036 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.191 1.560 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.649 -0.590 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.196 0.672 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.901 0.194 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.836 0.005 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.132 0.812 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.246 1.701 -2.405 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.619 4.022 -0.665 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.287 4.346 -0.171 1.00 0.00 C ATOM 1102 C ILE A 66 -0.030 5.856 -0.233 1.00 0.00 C ATOM 1103 O ILE A 66 -0.292 6.496 -1.251 1.00 0.00 O ATOM 1104 CB ILE A 66 0.804 3.601 -0.977 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.819 2.118 -0.599 1.00 0.00 C ATOM 1106 CG2 ILE A 66 2.177 4.219 -0.749 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.802 1.300 -1.408 1.00 0.00 C ATOM 0 H ILE A 66 -1.629 3.486 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.239 4.021 0.868 1.00 0.00 H new ATOM 0 HB ILE A 66 0.566 3.695 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.063 2.023 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.181 1.707 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.922 3.674 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.164 5.262 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.429 4.164 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.760 0.259 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.546 1.365 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.810 1.686 -1.255 1.00 0.00 H new ATOM 1119 N PRO A 67 0.499 6.441 0.858 1.00 0.00 N ATOM 1120 CA PRO A 67 0.803 7.876 0.922 1.00 0.00 C ATOM 1121 C PRO A 67 1.611 8.353 -0.256 1.00 0.00 C ATOM 1122 O PRO A 67 2.532 7.688 -0.729 1.00 0.00 O ATOM 1123 CB PRO A 67 1.603 8.017 2.216 1.00 0.00 C ATOM 1124 CG PRO A 67 1.154 6.877 3.063 1.00 0.00 C ATOM 1125 CD PRO A 67 0.853 5.749 2.113 1.00 0.00 C ATOM 0 HA PRO A 67 -0.104 8.480 0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.675 7.971 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.406 8.973 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.928 6.591 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.271 7.145 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.715 5.094 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.033 5.128 2.474 1.00 0.00 H new ATOM 1133 N LEU A 68 1.240 9.530 -0.710 1.00 0.00 N ATOM 1134 CA LEU A 68 1.878 10.176 -1.827 1.00 0.00 C ATOM 1135 C LEU A 68 3.396 10.203 -1.658 1.00 0.00 C ATOM 1136 O LEU A 68 4.140 10.017 -2.621 1.00 0.00 O ATOM 1137 CB LEU A 68 1.318 11.583 -1.901 1.00 0.00 C ATOM 1138 CG LEU A 68 0.287 11.805 -3.000 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -0.242 13.231 -2.959 1.00 0.00 C ATOM 1140 CD2 LEU A 68 0.882 11.489 -4.366 1.00 0.00 C ATOM 0 H LEU A 68 0.475 10.070 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 68 1.679 9.629 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.863 11.829 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.143 12.280 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.549 11.127 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.977 13.369 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.711 13.417 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.583 13.929 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.130 11.654 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.738 12.139 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.205 10.448 -4.390 1.00 0.00 H new ATOM 1152 N LYS A 69 3.849 10.410 -0.426 1.00 0.00 N ATOM 1153 CA LYS A 69 5.276 10.430 -0.136 1.00 0.00 C ATOM 1154 C LYS A 69 5.832 9.013 -0.196 1.00 0.00 C ATOM 1155 O LYS A 69 6.880 8.761 -0.795 1.00 0.00 O ATOM 1156 CB LYS A 69 5.537 11.041 1.242 1.00 0.00 C ATOM 1157 CG LYS A 69 4.731 12.300 1.513 1.00 0.00 C ATOM 1158 CD LYS A 69 5.392 13.166 2.573 1.00 0.00 C ATOM 1159 CE LYS A 69 5.143 12.623 3.971 1.00 0.00 C ATOM 1160 NZ LYS A 69 3.704 12.320 4.202 1.00 0.00 N ATOM 0 H LYS A 69 3.250 10.566 0.385 1.00 0.00 H new ATOM 0 HA LYS A 69 5.778 11.045 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.306 10.300 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.598 11.273 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.624 12.870 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.727 12.028 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.465 13.216 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.009 14.184 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.733 11.718 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.484 13.350 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.506 12.333 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.118 13.036 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.481 11.380 3.818 1.00 0.00 H new ATOM 1174 N HIS A 70 5.102 8.085 0.417 1.00 0.00 N ATOM 1175 CA HIS A 70 5.499 6.684 0.426 1.00 0.00 C ATOM 1176 C HIS A 70 5.494 6.128 -0.993 1.00 0.00 C ATOM 1177 O HIS A 70 6.249 5.212 -1.312 1.00 0.00 O ATOM 1178 CB HIS A 70 4.557 5.870 1.315 1.00 0.00 C ATOM 1179 CG HIS A 70 4.641 6.233 2.764 1.00 0.00 C ATOM 1180 ND1 HIS A 70 4.326 5.355 3.779 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.007 7.389 3.370 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.495 5.954 4.945 1.00 0.00 C ATOM 1183 NE2 HIS A 70 4.908 7.187 4.724 1.00 0.00 N ATOM 0 H HIS A 70 4.233 8.280 0.913 1.00 0.00 H new ATOM 0 HA HIS A 70 6.509 6.610 0.829 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.532 6.013 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.787 4.811 1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.318 8.299 2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.324 5.509 5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.120 7.879 5.443 1.00 0.00 H new ATOM 1192 N GLN A 71 4.644 6.700 -1.844 1.00 0.00 N ATOM 1193 CA GLN A 71 4.553 6.270 -3.232 1.00 0.00 C ATOM 1194 C GLN A 71 5.876 6.525 -3.942 1.00 0.00 C ATOM 1195 O GLN A 71 6.369 5.679 -4.686 1.00 0.00 O ATOM 1196 CB GLN A 71 3.422 7.010 -3.950 1.00 0.00 C ATOM 1197 CG GLN A 71 2.042 6.447 -3.653 1.00 0.00 C ATOM 1198 CD GLN A 71 0.951 7.122 -4.459 1.00 0.00 C ATOM 1199 OE1 GLN A 71 0.822 6.897 -5.663 1.00 0.00 O ATOM 1200 NE2 GLN A 71 0.156 7.956 -3.798 1.00 0.00 N ATOM 0 H GLN A 71 4.011 7.460 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 71 4.336 5.202 -3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.446 8.061 -3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.598 6.970 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.037 5.378 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.828 6.562 -2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.298 8.113 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.597 8.439 -4.288 1.00 0.00 H new ATOM 1209 N VAL A 72 6.455 7.696 -3.688 1.00 0.00 N ATOM 1210 CA VAL A 72 7.733 8.058 -4.283 1.00 0.00 C ATOM 1211 C VAL A 72 8.816 7.102 -3.812 1.00 0.00 C ATOM 1212 O VAL A 72 9.456 6.425 -4.616 1.00 0.00 O ATOM 1213 CB VAL A 72 8.148 9.494 -3.919 1.00 0.00 C ATOM 1214 CG1 VAL A 72 9.261 9.978 -4.836 1.00 0.00 C ATOM 1215 CG2 VAL A 72 6.952 10.434 -3.976 1.00 0.00 C ATOM 0 H VAL A 72 6.058 8.408 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 72 7.615 7.995 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 72 8.526 9.491 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.541 10.995 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.127 9.324 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.914 9.962 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.270 11.443 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.537 10.434 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.192 10.099 -3.270 1.00 0.00 H new ATOM 1225 N GLU A 73 9.007 7.038 -2.495 1.00 0.00 N ATOM 1226 CA GLU A 73 10.003 6.142 -1.919 1.00 0.00 C ATOM 1227 C GLU A 73 9.709 4.714 -2.348 1.00 0.00 C ATOM 1228 O GLU A 73 10.620 3.926 -2.601 1.00 0.00 O ATOM 1229 CB GLU A 73 10.008 6.248 -0.393 1.00 0.00 C ATOM 1230 CG GLU A 73 11.022 5.335 0.277 1.00 0.00 C ATOM 1231 CD GLU A 73 10.756 5.155 1.758 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.850 4.369 2.108 1.00 0.00 O ATOM 1233 OE2 GLU A 73 11.454 5.798 2.569 1.00 0.00 O ATOM 0 H GLU A 73 8.489 7.592 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 73 10.990 6.431 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.217 7.279 -0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.013 6.010 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.007 4.361 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.022 5.746 0.139 1.00 0.00 H new ATOM 1240 N TYR A 74 8.422 4.403 -2.464 1.00 0.00 N ATOM 1241 CA TYR A 74 7.996 3.086 -2.905 1.00 0.00 C ATOM 1242 C TYR A 74 8.557 2.826 -4.295 1.00 0.00 C ATOM 1243 O TYR A 74 8.903 1.697 -4.642 1.00 0.00 O ATOM 1244 CB TYR A 74 6.467 2.996 -2.918 1.00 0.00 C ATOM 1245 CG TYR A 74 5.934 1.716 -3.522 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.721 0.591 -2.738 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.644 1.636 -4.879 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.233 -0.580 -3.287 1.00 0.00 C ATOM 1249 CE2 TYR A 74 5.155 0.469 -5.436 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.951 -0.634 -4.636 1.00 0.00 C ATOM 1251 OH TYR A 74 4.466 -1.798 -5.187 1.00 0.00 O ATOM 0 H TYR A 74 7.658 5.047 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 74 8.371 2.331 -2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.099 3.085 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.068 3.843 -3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.940 0.631 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.803 2.499 -5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.074 -1.447 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.934 0.422 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 74 5.115 -2.520 -5.051 1.00 0.00 H new ATOM 1261 N ASP A 75 8.660 3.897 -5.081 1.00 0.00 N ATOM 1262 CA ASP A 75 9.199 3.806 -6.429 1.00 0.00 C ATOM 1263 C ASP A 75 10.709 3.600 -6.378 1.00 0.00 C ATOM 1264 O ASP A 75 11.282 2.927 -7.233 1.00 0.00 O ATOM 1265 CB ASP A 75 8.864 5.072 -7.224 1.00 0.00 C ATOM 1266 CG ASP A 75 7.802 4.827 -8.279 1.00 0.00 C ATOM 1267 OD1 ASP A 75 7.889 3.798 -8.980 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.883 5.665 -8.401 1.00 0.00 O ATOM 0 H ASP A 75 8.376 4.836 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 75 8.744 2.951 -6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.520 5.848 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.768 5.447 -7.703 1.00 0.00 H new ATOM 1273 N GLN A 76 11.347 4.184 -5.364 1.00 0.00 N ATOM 1274 CA GLN A 76 12.790 4.058 -5.201 1.00 0.00 C ATOM 1275 C GLN A 76 13.174 2.613 -4.908 1.00 0.00 C ATOM 1276 O GLN A 76 14.230 2.142 -5.330 1.00 0.00 O ATOM 1277 CB GLN A 76 13.278 4.967 -4.071 1.00 0.00 C ATOM 1278 CG GLN A 76 12.879 6.423 -4.247 1.00 0.00 C ATOM 1279 CD GLN A 76 13.596 7.090 -5.403 1.00 0.00 C ATOM 1280 OE1 GLN A 76 14.500 6.509 -6.006 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.197 8.317 -5.720 1.00 0.00 N ATOM 0 H GLN A 76 10.887 4.746 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 76 13.267 4.363 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.880 4.602 -3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.364 4.902 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.803 6.484 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.094 6.968 -3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.444 8.760 -5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.643 8.816 -6.490 1.00 0.00 H new ATOM 1290 N LEU A 77 12.307 1.912 -4.183 1.00 0.00 N ATOM 1291 CA LEU A 77 12.552 0.518 -3.834 1.00 0.00 C ATOM 1292 C LEU A 77 12.207 -0.403 -4.999 1.00 0.00 C ATOM 1293 O LEU A 77 12.873 -1.413 -5.225 1.00 0.00 O ATOM 1294 CB LEU A 77 11.733 0.128 -2.600 1.00 0.00 C ATOM 1295 CG LEU A 77 12.004 0.971 -1.353 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.720 1.185 -0.565 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.060 0.307 -0.481 1.00 0.00 C ATOM 0 H LEU A 77 11.428 2.288 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 77 13.613 0.407 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.674 0.202 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.934 -0.917 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 77 12.380 1.944 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.932 1.787 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.991 1.702 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.316 0.220 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.241 0.920 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.711 -0.679 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.986 0.203 -1.046 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.952 6.883 5.903 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.357 6.581 6.155 1.00 0.00 C ATOM 1400 C ARG B 103 -7.797 5.348 5.375 1.00 0.00 C ATOM 1401 O ARG B 103 -8.458 4.461 5.916 1.00 0.00 O ATOM 1402 CB ARG B 103 -8.232 7.777 5.778 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.607 7.752 6.426 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.645 8.597 7.690 1.00 0.00 C ATOM 1405 NE ARG B 103 -10.132 7.839 8.840 1.00 0.00 N ATOM 1406 CZ ARG B 103 -10.315 8.364 10.050 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.054 9.645 10.271 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -10.761 7.604 11.040 1.00 0.00 N ATOM 0 HA ARG B 103 -7.474 6.375 7.219 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.721 8.696 6.065 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -8.350 7.803 4.695 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.350 8.120 5.719 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.878 6.724 6.666 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.646 8.976 7.903 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -10.287 9.463 7.528 1.00 0.00 H new ATOM 0 HE ARG B 103 -10.344 6.850 8.708 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.711 10.234 9.512 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -10.196 10.042 11.200 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -10.964 6.618 10.875 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -10.902 8.005 11.967 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.429 5.297 4.098 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.786 4.172 3.240 1.00 0.00 C ATOM 1424 C TYR B 104 -7.294 2.855 3.830 1.00 0.00 C ATOM 1425 O TYR B 104 -7.975 1.833 3.747 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.202 4.367 1.838 1.00 0.00 C ATOM 1427 CG TYR B 104 -8.150 5.048 0.876 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -8.912 6.138 1.275 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -8.281 4.599 -0.432 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -9.779 6.763 0.399 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -9.146 5.217 -1.314 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.893 6.298 -0.895 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.755 6.917 -1.771 1.00 0.00 O ATOM 0 H TYR B 104 -6.883 6.023 3.634 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.873 4.132 3.172 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.288 4.957 1.913 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -6.922 3.395 1.432 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -8.826 6.504 2.288 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -7.697 3.753 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -10.364 7.610 0.725 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -9.237 4.855 -2.328 1.00 0.00 H new ATOM 0 HH TYR B 104 -10.715 6.468 -2.641 1.00 0.00 H new ATOM 1443 N LEU B 105 -6.107 2.886 4.427 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.524 1.694 5.032 1.00 0.00 C ATOM 1445 C LEU B 105 -6.428 1.147 6.133 1.00 0.00 C ATOM 1446 O LEU B 105 -6.777 -0.032 6.135 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.139 2.014 5.601 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.963 1.606 4.711 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.892 0.092 4.581 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -3.084 2.256 3.341 1.00 0.00 C ATOM 0 H LEU B 105 -5.530 3.724 4.505 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.424 0.932 4.259 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -4.079 3.086 5.788 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -4.035 1.516 6.565 1.00 0.00 H new ATOM 0 HG LEU B 105 -2.040 1.953 5.177 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.050 -0.179 3.945 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.759 -0.352 5.568 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -3.816 -0.279 4.138 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -2.240 1.956 2.720 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -4.013 1.938 2.868 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -3.085 3.340 3.452 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.808 2.017 7.063 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.672 1.628 8.169 1.00 0.00 C ATOM 1464 C ARG B 106 -9.047 1.200 7.664 1.00 0.00 C ATOM 1465 O ARG B 106 -9.694 0.337 8.255 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.818 2.782 9.161 1.00 0.00 C ATOM 1467 CG ARG B 106 -8.015 2.329 10.598 1.00 0.00 C ATOM 1468 CD ARG B 106 -8.027 3.510 11.557 1.00 0.00 C ATOM 1469 NE ARG B 106 -9.387 3.924 11.896 1.00 0.00 N ATOM 1470 CZ ARG B 106 -9.676 5.022 12.592 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -8.705 5.818 13.022 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -10.939 5.326 12.855 1.00 0.00 N ATOM 0 H ARG B 106 -6.530 2.998 7.072 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.211 0.779 8.674 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -6.930 3.412 9.106 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.666 3.400 8.864 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -8.953 1.780 10.683 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.217 1.641 10.876 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -7.491 3.243 12.468 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.494 4.348 11.108 1.00 0.00 H new ATOM 0 HE ARG B 106 -10.160 3.338 11.581 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.732 5.590 12.820 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -8.932 6.658 13.555 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -11.689 4.719 12.524 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -11.161 6.167 13.388 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.490 1.811 6.571 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.792 1.491 5.995 1.00 0.00 C ATOM 1488 C GLU B 107 -10.872 0.014 5.620 1.00 0.00 C ATOM 1489 O GLU B 107 -11.737 -0.713 6.107 1.00 0.00 O ATOM 1490 CB GLU B 107 -11.056 2.362 4.765 1.00 0.00 C ATOM 1491 CG GLU B 107 -12.045 3.488 5.019 1.00 0.00 C ATOM 1492 CD GLU B 107 -11.840 4.665 4.086 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -10.694 5.154 3.989 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -12.825 5.100 3.453 1.00 0.00 O ATOM 0 H GLU B 107 -8.969 2.529 6.067 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.556 1.696 6.745 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -10.113 2.788 4.422 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.433 1.733 3.959 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -13.060 3.109 4.902 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -11.948 3.826 6.051 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.962 -0.423 4.754 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.931 -1.815 4.319 1.00 0.00 C ATOM 1503 C ALA B 108 -9.425 -2.724 5.434 1.00 0.00 C ATOM 1504 O ALA B 108 -9.990 -3.786 5.691 1.00 0.00 O ATOM 1505 CB ALA B 108 -9.059 -1.960 3.080 1.00 0.00 C ATOM 0 H ALA B 108 -9.238 0.165 4.341 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.948 -2.118 4.071 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -9.044 -3.004 2.766 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.463 -1.345 2.276 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -8.044 -1.636 3.310 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.354 -2.293 6.094 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.765 -3.059 7.185 1.00 0.00 C ATOM 1513 C ILE B 109 -8.800 -3.340 8.272 1.00 0.00 C ATOM 1514 O ILE B 109 -8.987 -4.487 8.686 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.556 -2.311 7.792 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.398 -2.292 6.792 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -6.115 -2.950 9.102 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -4.339 -1.260 7.113 1.00 0.00 C ATOM 0 H ILE B 109 -7.876 -1.415 5.891 1.00 0.00 H new ATOM 0 HA ILE B 109 -7.420 -4.008 6.776 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.860 -1.286 8.006 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.936 -3.279 6.765 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.793 -2.098 5.795 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.263 -2.402 9.505 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.937 -2.919 9.817 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.828 -3.986 8.923 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.549 -1.303 6.363 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.787 -0.266 7.111 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.917 -1.466 8.096 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.477 -2.292 8.726 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.495 -2.436 9.759 1.00 0.00 C ATOM 1532 C GLN B 110 -11.653 -3.283 9.251 1.00 0.00 C ATOM 1533 O GLN B 110 -12.219 -4.084 9.995 1.00 0.00 O ATOM 1534 CB GLN B 110 -11.002 -1.066 10.212 1.00 0.00 C ATOM 1535 CG GLN B 110 -11.731 -1.099 11.545 1.00 0.00 C ATOM 1536 CD GLN B 110 -13.239 -1.045 11.386 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -13.753 -0.495 10.411 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -13.956 -1.618 12.346 1.00 0.00 N ATOM 0 H GLN B 110 -9.340 -1.336 8.396 1.00 0.00 H new ATOM 0 HA GLN B 110 -10.043 -2.938 10.615 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -10.157 -0.381 10.286 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.671 -0.665 9.451 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.458 -2.008 12.082 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -11.403 -0.257 12.155 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -13.488 -2.062 13.136 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -14.975 -1.614 12.293 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.992 -3.116 7.977 1.00 0.00 N ATOM 1548 CA GLU B 111 -13.075 -3.886 7.376 1.00 0.00 C ATOM 1549 C GLU B 111 -12.835 -5.372 7.598 1.00 0.00 C ATOM 1550 O GLU B 111 -13.754 -6.122 7.926 1.00 0.00 O ATOM 1551 CB GLU B 111 -13.187 -3.587 5.880 1.00 0.00 C ATOM 1552 CG GLU B 111 -14.619 -3.505 5.381 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.211 -2.117 5.530 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.616 -1.159 4.992 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.266 -1.989 6.184 1.00 0.00 O ATOM 0 H GLU B 111 -11.536 -2.459 7.344 1.00 0.00 H new ATOM 0 HA GLU B 111 -14.013 -3.599 7.852 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.683 -2.644 5.668 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -12.661 -4.362 5.323 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -14.651 -3.799 4.332 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -15.233 -4.218 5.931 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.582 -5.782 7.441 1.00 0.00 N ATOM 1563 CA TYR B 112 -11.208 -7.171 7.649 1.00 0.00 C ATOM 1564 C TYR B 112 -11.260 -7.500 9.132 1.00 0.00 C ATOM 1565 O TYR B 112 -11.626 -8.609 9.521 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.808 -7.442 7.094 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.583 -8.882 6.690 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -10.478 -9.538 5.854 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.475 -9.586 7.146 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -10.276 -10.854 5.485 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -8.265 -10.902 6.780 1.00 0.00 C ATOM 1572 CZ TYR B 112 -9.169 -11.531 5.949 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.963 -12.843 5.583 1.00 0.00 O ATOM 0 H TYR B 112 -10.811 -5.172 7.171 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.914 -7.808 7.117 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.639 -6.801 6.229 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -9.069 -7.165 7.846 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -11.346 -9.011 5.487 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.766 -9.096 7.797 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.982 -11.350 4.836 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -7.398 -11.435 7.142 1.00 0.00 H new ATOM 0 HH TYR B 112 -8.137 -13.172 5.995 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.914 -6.517 9.961 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.948 -6.703 11.404 1.00 0.00 C ATOM 1585 C ASP B 113 -12.365 -7.048 11.845 1.00 0.00 C ATOM 1586 O ASP B 113 -12.566 -7.778 12.815 1.00 0.00 O ATOM 1587 CB ASP B 113 -10.468 -5.437 12.118 1.00 0.00 C ATOM 1588 CG ASP B 113 -10.420 -5.607 13.624 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -9.972 -6.677 14.087 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -10.830 -4.671 14.341 1.00 0.00 O ATOM 0 H ASP B 113 -10.610 -5.592 9.658 1.00 0.00 H new ATOM 0 HA ASP B 113 -10.280 -7.523 11.669 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.476 -5.171 11.753 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -11.132 -4.609 11.869 1.00 0.00 H new ATOM 1595 N ASN B 114 -13.344 -6.523 11.112 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.746 -6.780 11.411 1.00 0.00 C ATOM 1597 C ASN B 114 -15.186 -8.119 10.827 1.00 0.00 C ATOM 1598 O ASN B 114 -16.013 -8.819 11.412 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.622 -5.652 10.859 1.00 0.00 C ATOM 1600 CG ASN B 114 -16.577 -5.101 11.899 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -16.386 -5.293 13.099 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -17.616 -4.410 11.442 1.00 0.00 N ATOM 0 H ASN B 114 -13.190 -5.917 10.306 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.863 -6.821 12.494 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.985 -4.847 10.492 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.191 -6.022 10.006 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -18.293 -4.015 12.095 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -17.737 -4.274 10.438 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.626 -8.472 9.673 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.962 -9.729 9.017 1.00 0.00 C ATOM 1611 C ILE B 115 -14.413 -10.917 9.803 1.00 0.00 C ATOM 1612 O ILE B 115 -15.010 -11.994 9.815 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.416 -9.771 7.573 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -15.034 -8.648 6.740 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.697 -11.123 6.933 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -14.219 -8.281 5.519 1.00 0.00 C ATOM 0 H ILE B 115 -13.939 -7.906 9.175 1.00 0.00 H new ATOM 0 HA ILE B 115 -16.049 -9.795 8.982 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.336 -9.626 7.608 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -16.032 -8.949 6.423 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -15.152 -7.764 7.367 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.305 -11.133 5.916 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.215 -11.908 7.515 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.773 -11.297 6.909 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.718 -7.478 4.976 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -13.228 -7.949 5.829 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -14.123 -9.152 4.871 1.00 0.00 H new