USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 493 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 32 MET CE :methyl -130:sc= -0.0804 (180deg=0) USER MOD Set 1.2: A 65 ASN : amide:sc= -1.62 K(o=-1.7,f=-2.6!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -175:sc= -3.77! (180deg=-4.46) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 8:sc= 0.118 USER MOD Single : A 35 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.056) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.2!) USER MOD Single : A 44 GLN : amide:sc= -0.0971 K(o=-0.097,f=-0.96) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -3.14 K(o=-3.1,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc=-0.00146 (180deg=-0.0649) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.086 -6.561 -17.502 1.00 0.00 N ATOM 67 CA ARG A 8 -2.375 -7.222 -17.345 1.00 0.00 C ATOM 68 C ARG A 8 -3.113 -7.301 -18.678 1.00 0.00 C ATOM 69 O ARG A 8 -2.882 -6.489 -19.574 1.00 0.00 O ATOM 70 CB ARG A 8 -3.232 -6.478 -16.319 1.00 0.00 C ATOM 71 CG ARG A 8 -2.969 -6.902 -14.883 1.00 0.00 C ATOM 72 CD ARG A 8 -3.745 -6.043 -13.898 1.00 0.00 C ATOM 73 NE ARG A 8 -4.096 -6.780 -12.687 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.256 -6.975 -11.676 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.024 -6.489 -11.730 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.649 -7.656 -10.607 1.00 0.00 N ATOM 0 HA ARG A 8 -2.193 -8.236 -16.990 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.048 -5.408 -16.412 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.285 -6.642 -16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.248 -7.948 -14.754 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.903 -6.828 -14.670 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.150 -5.170 -13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.654 -5.676 -14.375 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.037 -7.166 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.718 -5.964 -12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.382 -6.640 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.597 -8.030 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.003 -7.805 -9.832 1.00 0.00 H new ATOM 90 N GLU A 9 -3.999 -8.284 -18.802 1.00 0.00 N ATOM 91 CA GLU A 9 -4.769 -8.468 -20.027 1.00 0.00 C ATOM 92 C GLU A 9 -6.243 -8.703 -19.712 1.00 0.00 C ATOM 93 O GLU A 9 -6.587 -9.230 -18.655 1.00 0.00 O ATOM 94 CB GLU A 9 -4.214 -9.645 -20.832 1.00 0.00 C ATOM 95 CG GLU A 9 -2.774 -9.452 -21.277 1.00 0.00 C ATOM 96 CD GLU A 9 -2.613 -9.539 -22.783 1.00 0.00 C ATOM 97 OE1 GLU A 9 -2.763 -8.499 -23.457 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.336 -10.647 -23.286 1.00 0.00 O ATOM 0 H GLU A 9 -4.201 -8.965 -18.070 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.683 -7.558 -20.621 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.281 -10.551 -20.229 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.840 -9.800 -21.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.418 -8.481 -20.933 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.147 -10.208 -20.804 1.00 0.00 H new ATOM 105 N MET A 10 -7.110 -8.306 -20.639 1.00 0.00 N ATOM 106 CA MET A 10 -8.548 -8.474 -20.461 1.00 0.00 C ATOM 107 C MET A 10 -9.093 -9.533 -21.414 1.00 0.00 C ATOM 108 O MET A 10 -8.493 -9.819 -22.449 1.00 0.00 O ATOM 109 CB MET A 10 -9.270 -7.145 -20.690 1.00 0.00 C ATOM 110 CG MET A 10 -8.896 -6.069 -19.683 1.00 0.00 C ATOM 111 SD MET A 10 -7.537 -5.029 -20.250 1.00 0.00 S ATOM 112 CE MET A 10 -8.336 -3.427 -20.306 1.00 0.00 C ATOM 0 H MET A 10 -6.842 -7.866 -21.520 1.00 0.00 H new ATOM 0 HA MET A 10 -8.727 -8.805 -19.438 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.043 -6.786 -21.694 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.346 -7.313 -20.647 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.767 -5.445 -19.484 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.619 -6.540 -18.740 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.621 -2.675 -20.640 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.176 -3.463 -21.000 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.698 -3.166 -19.312 1.00 0.00 H new ATOM 122 N GLY A 11 -10.236 -10.112 -21.057 1.00 0.00 N ATOM 123 CA GLY A 11 -10.842 -11.133 -21.891 1.00 0.00 C ATOM 124 C GLY A 11 -12.177 -11.606 -21.351 1.00 0.00 C ATOM 125 O GLY A 11 -12.544 -11.290 -20.219 1.00 0.00 O ATOM 0 H GLY A 11 -10.752 -9.892 -20.205 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.980 -10.740 -22.898 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.164 -11.983 -21.970 1.00 0.00 H new ATOM 129 N VAL A 12 -12.907 -12.365 -22.162 1.00 0.00 N ATOM 130 CA VAL A 12 -14.210 -12.881 -21.759 1.00 0.00 C ATOM 131 C VAL A 12 -14.120 -14.352 -21.367 1.00 0.00 C ATOM 132 O VAL A 12 -13.306 -15.101 -21.909 1.00 0.00 O ATOM 133 CB VAL A 12 -15.249 -12.724 -22.885 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.499 -11.252 -23.179 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.792 -13.455 -24.138 1.00 0.00 C ATOM 0 H VAL A 12 -12.618 -12.636 -23.102 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.529 -12.296 -20.896 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.187 -13.169 -22.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.236 -11.160 -23.977 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.874 -10.760 -22.281 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.567 -10.780 -23.490 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.538 -13.333 -24.923 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.841 -13.041 -24.474 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.668 -14.515 -23.916 1.00 0.00 H new ATOM 145 N ILE A 13 -14.962 -14.759 -20.423 1.00 0.00 N ATOM 146 CA ILE A 13 -14.979 -16.141 -19.960 1.00 0.00 C ATOM 147 C ILE A 13 -15.599 -17.063 -21.005 1.00 0.00 C ATOM 148 O ILE A 13 -16.795 -16.989 -21.282 1.00 0.00 O ATOM 149 CB ILE A 13 -15.758 -16.283 -18.639 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.156 -15.373 -17.567 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.754 -17.732 -18.175 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.646 -15.432 -17.501 1.00 0.00 C ATOM 0 H ILE A 13 -15.641 -14.152 -19.964 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.942 -16.431 -19.793 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.791 -15.979 -18.809 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.463 -14.345 -17.761 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.565 -15.650 -16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.308 -17.816 -17.240 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.224 -18.358 -18.933 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.727 -18.061 -18.018 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.290 -14.762 -16.719 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.331 -16.451 -17.277 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.228 -15.126 -18.460 1.00 0.00 H new ATOM 164 N ALA A 14 -14.776 -17.934 -21.580 1.00 0.00 N ATOM 165 CA ALA A 14 -15.244 -18.874 -22.591 1.00 0.00 C ATOM 166 C ALA A 14 -15.866 -20.109 -21.947 1.00 0.00 C ATOM 167 O ALA A 14 -16.494 -20.923 -22.623 1.00 0.00 O ATOM 168 CB ALA A 14 -14.099 -19.275 -23.509 1.00 0.00 C ATOM 0 H ALA A 14 -13.782 -18.008 -21.363 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.014 -18.379 -23.183 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.463 -19.977 -24.259 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.702 -18.389 -24.004 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.311 -19.747 -22.923 1.00 0.00 H new ATOM 174 N ALA A 15 -15.685 -20.242 -20.637 1.00 0.00 N ATOM 175 CA ALA A 15 -16.229 -21.377 -19.902 1.00 0.00 C ATOM 176 C ALA A 15 -15.896 -21.280 -18.417 1.00 0.00 C ATOM 177 O ALA A 15 -14.839 -20.774 -18.041 1.00 0.00 O ATOM 178 CB ALA A 15 -15.702 -22.682 -20.480 1.00 0.00 C ATOM 0 H ALA A 15 -15.166 -19.578 -20.063 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.314 -21.359 -20.006 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.117 -23.521 -19.921 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.997 -22.762 -21.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.615 -22.699 -20.407 1.00 0.00 H new ATOM 184 N MET A 16 -16.804 -21.768 -17.579 1.00 0.00 N ATOM 185 CA MET A 16 -16.605 -21.737 -16.134 1.00 0.00 C ATOM 186 C MET A 16 -17.310 -22.911 -15.463 1.00 0.00 C ATOM 187 O MET A 16 -18.229 -22.721 -14.666 1.00 0.00 O ATOM 188 CB MET A 16 -17.121 -20.418 -15.555 1.00 0.00 C ATOM 189 CG MET A 16 -18.240 -19.792 -16.372 1.00 0.00 C ATOM 190 SD MET A 16 -18.803 -18.221 -15.690 1.00 0.00 S ATOM 191 CE MET A 16 -18.236 -18.364 -13.997 1.00 0.00 C ATOM 0 H MET A 16 -17.684 -22.190 -17.875 1.00 0.00 H new ATOM 0 HA MET A 16 -15.536 -21.818 -15.938 1.00 0.00 H new ATOM 0 HB2 MET A 16 -17.477 -20.591 -14.539 1.00 0.00 H new ATOM 0 HB3 MET A 16 -16.293 -19.712 -15.487 1.00 0.00 H new ATOM 0 HG2 MET A 16 -17.895 -19.637 -17.394 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.080 -20.485 -16.421 1.00 0.00 H new ATOM 0 HE1 MET A 16 -18.587 -17.507 -13.422 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.629 -19.281 -13.558 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.146 -18.391 -13.979 1.00 0.00 H new ATOM 201 N ARG A 17 -16.873 -24.123 -15.789 1.00 0.00 N ATOM 202 CA ARG A 17 -17.464 -25.327 -15.219 1.00 0.00 C ATOM 203 C ARG A 17 -17.388 -25.300 -13.695 1.00 0.00 C ATOM 204 O ARG A 17 -17.022 -24.287 -13.099 1.00 0.00 O ATOM 205 CB ARG A 17 -16.754 -26.572 -15.754 1.00 0.00 C ATOM 206 CG ARG A 17 -16.849 -26.726 -17.263 1.00 0.00 C ATOM 207 CD ARG A 17 -18.285 -26.956 -17.710 1.00 0.00 C ATOM 208 NE ARG A 17 -19.051 -25.713 -17.752 1.00 0.00 N ATOM 209 CZ ARG A 17 -18.825 -24.740 -18.628 1.00 0.00 C ATOM 210 NH1 ARG A 17 -17.862 -24.866 -19.530 1.00 0.00 N ATOM 211 NH2 ARG A 17 -19.565 -23.639 -18.603 1.00 0.00 N ATOM 0 H ARG A 17 -16.112 -24.297 -16.445 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.513 -25.361 -15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.703 -26.532 -15.467 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.181 -27.456 -15.279 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.455 -25.832 -17.747 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.228 -27.562 -17.584 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.288 -27.417 -18.698 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.769 -27.657 -17.030 1.00 0.00 H new ATOM 0 HE ARG A 17 -19.800 -25.585 -17.072 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.292 -25.712 -19.553 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.691 -24.117 -20.201 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.308 -23.539 -17.911 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.391 -22.892 -19.276 1.00 0.00 H new ATOM 225 N ASP A 18 -17.737 -26.420 -13.071 1.00 0.00 N ATOM 226 CA ASP A 18 -17.707 -26.525 -11.616 1.00 0.00 C ATOM 227 C ASP A 18 -16.285 -26.762 -11.117 1.00 0.00 C ATOM 228 O ASP A 18 -15.904 -27.890 -10.809 1.00 0.00 O ATOM 229 CB ASP A 18 -18.621 -27.659 -11.148 1.00 0.00 C ATOM 230 CG ASP A 18 -20.052 -27.202 -10.944 1.00 0.00 C ATOM 231 OD1 ASP A 18 -20.254 -26.158 -10.290 1.00 0.00 O ATOM 232 OD2 ASP A 18 -20.970 -27.890 -11.438 1.00 0.00 O ATOM 0 H ASP A 18 -18.044 -27.267 -13.549 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.066 -25.583 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.601 -28.464 -11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -18.237 -28.069 -10.214 1.00 0.00 H new ATOM 237 N GLY A 19 -15.504 -25.689 -11.041 1.00 0.00 N ATOM 238 CA GLY A 19 -14.133 -25.801 -10.580 1.00 0.00 C ATOM 239 C GLY A 19 -13.176 -24.952 -11.393 1.00 0.00 C ATOM 240 O GLY A 19 -12.486 -24.089 -10.851 1.00 0.00 O ATOM 0 H GLY A 19 -15.796 -24.744 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.079 -25.502 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.820 -26.844 -10.630 1.00 0.00 H new ATOM 244 N PHE A 20 -13.133 -25.198 -12.699 1.00 0.00 N ATOM 245 CA PHE A 20 -12.252 -24.451 -13.589 1.00 0.00 C ATOM 246 C PHE A 20 -13.039 -23.832 -14.740 1.00 0.00 C ATOM 247 O PHE A 20 -14.269 -23.818 -14.729 1.00 0.00 O ATOM 248 CB PHE A 20 -11.155 -25.364 -14.139 1.00 0.00 C ATOM 249 CG PHE A 20 -11.554 -26.093 -15.390 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.616 -26.983 -15.381 1.00 0.00 C ATOM 251 CD2 PHE A 20 -10.867 -25.888 -16.576 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.984 -27.656 -16.530 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.232 -26.558 -17.729 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.292 -27.442 -17.706 1.00 0.00 C ATOM 0 H PHE A 20 -13.698 -25.909 -13.164 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.792 -23.648 -13.014 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.266 -24.768 -14.343 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.882 -26.092 -13.375 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.162 -27.153 -14.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.037 -25.197 -16.600 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.812 -28.349 -16.509 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.688 -26.390 -18.647 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.580 -27.965 -18.606 1.00 0.00 H new ATOM 264 N GLY A 21 -12.319 -23.319 -15.733 1.00 0.00 N ATOM 265 CA GLY A 21 -12.966 -22.705 -16.878 1.00 0.00 C ATOM 266 C GLY A 21 -11.979 -22.306 -17.957 1.00 0.00 C ATOM 267 O GLY A 21 -10.974 -22.985 -18.171 1.00 0.00 O ATOM 0 H GLY A 21 -11.300 -23.318 -15.765 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.695 -23.400 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.517 -21.824 -16.550 1.00 0.00 H new ATOM 271 N PHE A 22 -12.265 -21.202 -18.640 1.00 0.00 N ATOM 272 CA PHE A 22 -11.395 -20.716 -19.705 1.00 0.00 C ATOM 273 C PHE A 22 -11.685 -19.250 -20.016 1.00 0.00 C ATOM 274 O PHE A 22 -12.829 -18.802 -19.933 1.00 0.00 O ATOM 275 CB PHE A 22 -11.576 -21.562 -20.966 1.00 0.00 C ATOM 276 CG PHE A 22 -10.825 -22.863 -20.928 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.446 -22.878 -20.787 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.497 -24.070 -21.032 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.753 -24.073 -20.752 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.809 -25.268 -20.998 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.435 -25.269 -20.856 1.00 0.00 C ATOM 0 H PHE A 22 -13.092 -20.628 -18.475 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.363 -20.800 -19.365 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.637 -21.768 -21.106 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.246 -20.986 -21.831 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.907 -21.946 -20.704 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.571 -24.075 -21.141 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.678 -24.071 -20.643 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.345 -26.202 -21.082 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.895 -26.204 -20.826 1.00 0.00 H new ATOM 291 N ILE A 23 -10.642 -18.510 -20.375 1.00 0.00 N ATOM 292 CA ILE A 23 -10.784 -17.096 -20.699 1.00 0.00 C ATOM 293 C ILE A 23 -10.199 -16.786 -22.073 1.00 0.00 C ATOM 294 O ILE A 23 -8.989 -16.877 -22.280 1.00 0.00 O ATOM 295 CB ILE A 23 -10.096 -16.205 -19.648 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.472 -16.661 -18.236 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.477 -14.747 -19.858 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.466 -16.256 -17.182 1.00 0.00 C ATOM 0 H ILE A 23 -9.689 -18.866 -20.449 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.852 -16.879 -20.703 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.016 -16.299 -19.765 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.446 -16.245 -17.976 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.576 -17.746 -18.229 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.983 -14.130 -19.107 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.164 -14.429 -20.852 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.557 -14.636 -19.765 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.797 -16.612 -16.207 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.496 -16.693 -17.418 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.379 -15.170 -17.161 1.00 0.00 H new ATOM 310 N LYS A 24 -11.067 -16.417 -23.009 1.00 0.00 N ATOM 311 CA LYS A 24 -10.638 -16.089 -24.364 1.00 0.00 C ATOM 312 C LYS A 24 -10.140 -14.650 -24.444 1.00 0.00 C ATOM 313 O LYS A 24 -10.913 -13.706 -24.277 1.00 0.00 O ATOM 314 CB LYS A 24 -11.790 -16.297 -25.350 1.00 0.00 C ATOM 315 CG LYS A 24 -11.523 -15.716 -26.727 1.00 0.00 C ATOM 316 CD LYS A 24 -12.244 -14.392 -26.923 1.00 0.00 C ATOM 317 CE LYS A 24 -13.448 -14.544 -27.839 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.085 -14.349 -29.270 1.00 0.00 N ATOM 0 H LYS A 24 -12.072 -16.338 -22.854 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.816 -16.754 -24.629 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.986 -17.365 -25.447 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.693 -15.843 -24.942 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.451 -15.571 -26.860 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.846 -16.424 -27.490 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.567 -14.006 -25.956 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.555 -13.660 -27.344 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.882 -15.535 -27.706 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.213 -13.820 -27.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.933 -14.461 -29.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.694 -13.394 -29.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.374 -15.056 -29.547 1.00 0.00 H new ATOM 332 N CYS A 25 -8.847 -14.490 -24.700 1.00 0.00 N ATOM 333 CA CYS A 25 -8.246 -13.164 -24.803 1.00 0.00 C ATOM 334 C CYS A 25 -8.609 -12.504 -26.129 1.00 0.00 C ATOM 335 O CYS A 25 -8.719 -13.172 -27.158 1.00 0.00 O ATOM 336 CB CYS A 25 -6.726 -13.259 -24.666 1.00 0.00 C ATOM 337 SG CYS A 25 -5.973 -11.858 -23.806 1.00 0.00 S ATOM 0 H CYS A 25 -8.194 -15.261 -24.840 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.639 -12.550 -23.993 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.477 -14.176 -24.132 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.287 -13.340 -25.660 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.906 -11.103 -23.306 1.00 0.00 H new ATOM 343 N VAL A 26 -8.796 -11.188 -26.097 1.00 0.00 N ATOM 344 CA VAL A 26 -9.148 -10.437 -27.296 1.00 0.00 C ATOM 345 C VAL A 26 -7.970 -10.358 -28.261 1.00 0.00 C ATOM 346 O VAL A 26 -8.129 -10.542 -29.468 1.00 0.00 O ATOM 347 CB VAL A 26 -9.610 -9.009 -26.949 1.00 0.00 C ATOM 348 CG1 VAL A 26 -10.078 -8.280 -28.199 1.00 0.00 C ATOM 349 CG2 VAL A 26 -10.710 -9.046 -25.899 1.00 0.00 C ATOM 0 H VAL A 26 -8.710 -10.620 -25.254 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.970 -10.971 -27.773 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.763 -8.462 -26.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.400 -7.273 -27.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.258 -8.222 -28.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.912 -8.822 -28.646 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.025 -8.029 -25.666 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.560 -9.610 -26.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.334 -9.526 -24.995 1.00 0.00 H new ATOM 359 N ASP A 27 -6.788 -10.084 -27.721 1.00 0.00 N ATOM 360 CA ASP A 27 -5.581 -9.982 -28.533 1.00 0.00 C ATOM 361 C ASP A 27 -5.080 -11.365 -28.937 1.00 0.00 C ATOM 362 O ASP A 27 -4.646 -11.572 -30.070 1.00 0.00 O ATOM 363 CB ASP A 27 -4.488 -9.232 -27.769 1.00 0.00 C ATOM 364 CG ASP A 27 -4.478 -7.749 -28.081 1.00 0.00 C ATOM 365 OD1 ASP A 27 -5.458 -7.061 -27.726 1.00 0.00 O ATOM 366 OD2 ASP A 27 -3.489 -7.275 -28.680 1.00 0.00 O ATOM 0 H ASP A 27 -6.640 -9.928 -26.724 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.827 -9.426 -29.438 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.634 -9.374 -26.698 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.516 -9.659 -28.017 1.00 0.00 H new ATOM 371 N ARG A 28 -5.141 -12.307 -28.002 1.00 0.00 N ATOM 372 CA ARG A 28 -4.691 -13.670 -28.260 1.00 0.00 C ATOM 373 C ARG A 28 -5.856 -14.554 -28.694 1.00 0.00 C ATOM 374 O ARG A 28 -6.941 -14.498 -28.114 1.00 0.00 O ATOM 375 CB ARG A 28 -4.029 -14.256 -27.012 1.00 0.00 C ATOM 376 CG ARG A 28 -2.529 -14.458 -27.156 1.00 0.00 C ATOM 377 CD ARG A 28 -2.208 -15.781 -27.834 1.00 0.00 C ATOM 378 NE ARG A 28 -1.053 -15.674 -28.721 1.00 0.00 N ATOM 379 CZ ARG A 28 0.178 -15.408 -28.297 1.00 0.00 C ATOM 380 NH1 ARG A 28 0.411 -15.223 -27.005 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.178 -15.328 -29.166 1.00 0.00 N ATOM 0 H ARG A 28 -5.498 -12.152 -27.059 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.961 -13.638 -29.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.219 -13.595 -26.166 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.495 -15.213 -26.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.104 -13.638 -27.736 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.061 -14.429 -26.172 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.014 -16.539 -27.076 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.074 -16.115 -28.405 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.199 -15.811 -29.721 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.355 -15.285 -26.335 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.357 -15.019 -26.681 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.002 -15.471 -30.161 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.122 -15.124 -28.839 1.00 0.00 H new ATOM 395 N ASP A 29 -5.625 -15.370 -29.717 1.00 0.00 N ATOM 396 CA ASP A 29 -6.655 -16.267 -30.228 1.00 0.00 C ATOM 397 C ASP A 29 -6.632 -17.599 -29.486 1.00 0.00 C ATOM 398 O ASP A 29 -6.813 -18.659 -30.085 1.00 0.00 O ATOM 399 CB ASP A 29 -6.459 -16.500 -31.727 1.00 0.00 C ATOM 400 CG ASP A 29 -6.947 -15.334 -32.563 1.00 0.00 C ATOM 401 OD1 ASP A 29 -6.205 -14.336 -32.678 1.00 0.00 O ATOM 402 OD2 ASP A 29 -8.071 -15.418 -33.102 1.00 0.00 O ATOM 0 H ASP A 29 -4.733 -15.429 -30.209 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.625 -15.798 -30.065 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.402 -16.671 -31.930 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.991 -17.404 -32.024 1.00 0.00 H new ATOM 407 N VAL A 30 -6.407 -17.538 -28.177 1.00 0.00 N ATOM 408 CA VAL A 30 -6.361 -18.739 -27.352 1.00 0.00 C ATOM 409 C VAL A 30 -7.091 -18.527 -26.030 1.00 0.00 C ATOM 410 O VAL A 30 -7.419 -17.398 -25.665 1.00 0.00 O ATOM 411 CB VAL A 30 -4.909 -19.165 -27.062 1.00 0.00 C ATOM 412 CG1 VAL A 30 -4.150 -19.392 -28.360 1.00 0.00 C ATOM 413 CG2 VAL A 30 -4.211 -18.123 -26.201 1.00 0.00 C ATOM 0 H VAL A 30 -6.254 -16.669 -27.665 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.858 -19.529 -27.915 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.927 -20.105 -26.511 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.127 -19.692 -28.135 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.640 -20.177 -28.936 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.138 -18.470 -28.941 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.186 -18.440 -26.006 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.202 -17.166 -26.723 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.744 -18.015 -25.256 1.00 0.00 H new ATOM 423 N ARG A 31 -7.341 -19.620 -25.317 1.00 0.00 N ATOM 424 CA ARG A 31 -8.033 -19.554 -24.036 1.00 0.00 C ATOM 425 C ARG A 31 -7.057 -19.753 -22.880 1.00 0.00 C ATOM 426 O ARG A 31 -6.059 -20.462 -23.012 1.00 0.00 O ATOM 427 CB ARG A 31 -9.137 -20.612 -23.973 1.00 0.00 C ATOM 428 CG ARG A 31 -8.614 -22.039 -23.986 1.00 0.00 C ATOM 429 CD ARG A 31 -9.463 -22.935 -24.875 1.00 0.00 C ATOM 430 NE ARG A 31 -9.937 -24.119 -24.164 1.00 0.00 N ATOM 431 CZ ARG A 31 -10.422 -25.196 -24.772 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.496 -25.238 -26.095 1.00 0.00 N ATOM 433 NH2 ARG A 31 -10.834 -26.235 -24.056 1.00 0.00 N ATOM 0 H ARG A 31 -7.075 -20.562 -25.605 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.481 -18.565 -23.944 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.725 -20.458 -23.068 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.810 -20.473 -24.819 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.583 -22.047 -24.339 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.606 -22.434 -22.970 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.317 -22.370 -25.249 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.880 -23.242 -25.743 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.893 -24.119 -23.145 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.180 -24.442 -26.649 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.869 -26.066 -26.559 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.778 -26.207 -23.038 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.206 -27.061 -24.524 1.00 0.00 H new ATOM 447 N MET A 32 -7.352 -19.123 -21.748 1.00 0.00 N ATOM 448 CA MET A 32 -6.500 -19.231 -20.569 1.00 0.00 C ATOM 449 C MET A 32 -7.226 -19.954 -19.438 1.00 0.00 C ATOM 450 O MET A 32 -8.278 -19.509 -18.979 1.00 0.00 O ATOM 451 CB MET A 32 -6.060 -17.842 -20.102 1.00 0.00 C ATOM 452 CG MET A 32 -5.425 -17.838 -18.721 1.00 0.00 C ATOM 453 SD MET A 32 -3.834 -18.687 -18.685 1.00 0.00 S ATOM 454 CE MET A 32 -2.708 -17.297 -18.778 1.00 0.00 C ATOM 0 H MET A 32 -8.174 -18.533 -21.622 1.00 0.00 H new ATOM 0 HA MET A 32 -5.618 -19.811 -20.841 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.349 -17.434 -20.821 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.925 -17.178 -20.097 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.290 -16.808 -18.390 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.103 -18.314 -18.012 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.973 -17.476 -19.563 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.268 -16.390 -19.005 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.197 -17.178 -17.823 1.00 0.00 H new ATOM 464 N PHE A 33 -6.658 -21.070 -18.995 1.00 0.00 N ATOM 465 CA PHE A 33 -7.253 -21.855 -17.919 1.00 0.00 C ATOM 466 C PHE A 33 -6.976 -21.215 -16.562 1.00 0.00 C ATOM 467 O PHE A 33 -5.822 -21.028 -16.175 1.00 0.00 O ATOM 468 CB PHE A 33 -6.709 -23.285 -17.942 1.00 0.00 C ATOM 469 CG PHE A 33 -5.504 -23.482 -17.066 1.00 0.00 C ATOM 470 CD1 PHE A 33 -5.651 -23.802 -15.726 1.00 0.00 C ATOM 471 CD2 PHE A 33 -4.226 -23.348 -17.584 1.00 0.00 C ATOM 472 CE1 PHE A 33 -4.544 -23.983 -14.918 1.00 0.00 C ATOM 473 CE2 PHE A 33 -3.115 -23.528 -16.781 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.275 -23.847 -15.446 1.00 0.00 C ATOM 0 H PHE A 33 -5.787 -21.452 -19.364 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.331 -21.881 -18.075 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.495 -23.970 -17.624 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.451 -23.551 -18.967 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.641 -23.911 -15.308 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.096 -23.100 -18.627 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.671 -24.231 -13.875 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.124 -23.419 -17.196 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.409 -23.990 -14.816 1.00 0.00 H new ATOM 484 N PHE A 34 -8.043 -20.880 -15.844 1.00 0.00 N ATOM 485 CA PHE A 34 -7.916 -20.259 -14.530 1.00 0.00 C ATOM 486 C PHE A 34 -8.583 -21.115 -13.458 1.00 0.00 C ATOM 487 O PHE A 34 -9.400 -21.986 -13.761 1.00 0.00 O ATOM 488 CB PHE A 34 -8.536 -18.860 -14.542 1.00 0.00 C ATOM 489 CG PHE A 34 -10.027 -18.867 -14.723 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.587 -19.182 -15.951 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.868 -18.559 -13.666 1.00 0.00 C ATOM 492 CE1 PHE A 34 -11.959 -19.188 -16.120 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.240 -18.563 -13.830 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.786 -18.879 -15.058 1.00 0.00 C ATOM 0 H PHE A 34 -9.005 -21.028 -16.149 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.855 -20.176 -14.295 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.294 -18.356 -13.606 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.083 -18.277 -15.344 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.945 -19.425 -16.785 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.446 -18.313 -12.703 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.384 -19.434 -17.082 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.885 -18.319 -12.998 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.858 -18.885 -15.188 1.00 0.00 H new ATOM 504 N HIS A 35 -8.230 -20.861 -12.202 1.00 0.00 N ATOM 505 CA HIS A 35 -8.794 -21.607 -11.083 1.00 0.00 C ATOM 506 C HIS A 35 -9.829 -20.769 -10.338 1.00 0.00 C ATOM 507 O HIS A 35 -9.789 -19.539 -10.374 1.00 0.00 O ATOM 508 CB HIS A 35 -7.687 -22.043 -10.123 1.00 0.00 C ATOM 509 CG HIS A 35 -7.072 -23.362 -10.478 1.00 0.00 C ATOM 510 ND1 HIS A 35 -5.743 -23.656 -10.257 1.00 0.00 N ATOM 511 CD2 HIS A 35 -7.612 -24.469 -11.039 1.00 0.00 C ATOM 512 CE1 HIS A 35 -5.492 -24.886 -10.669 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.610 -25.401 -11.148 1.00 0.00 N ATOM 0 H HIS A 35 -7.556 -20.144 -11.934 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.288 -22.493 -11.482 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.908 -21.280 -10.109 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.095 -22.101 -9.114 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.640 -24.596 -11.344 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.536 -25.385 -10.622 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.712 -26.339 -11.536 1.00 0.00 H new ATOM 521 N PHE A 36 -10.754 -21.443 -9.663 1.00 0.00 N ATOM 522 CA PHE A 36 -11.801 -20.761 -8.911 1.00 0.00 C ATOM 523 C PHE A 36 -11.293 -20.336 -7.536 1.00 0.00 C ATOM 524 O PHE A 36 -12.016 -20.418 -6.543 1.00 0.00 O ATOM 525 CB PHE A 36 -13.023 -21.669 -8.757 1.00 0.00 C ATOM 526 CG PHE A 36 -14.283 -21.078 -9.320 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.351 -20.696 -10.650 1.00 0.00 C ATOM 528 CD2 PHE A 36 -15.401 -20.905 -8.519 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.510 -20.151 -11.170 1.00 0.00 C ATOM 530 CE2 PHE A 36 -16.563 -20.361 -9.034 1.00 0.00 C ATOM 531 CZ PHE A 36 -16.617 -19.985 -10.362 1.00 0.00 C ATOM 0 H PHE A 36 -10.800 -22.461 -9.621 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.089 -19.868 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.824 -22.620 -9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.174 -21.886 -7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -13.489 -20.825 -11.288 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -15.364 -21.199 -7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -15.550 -19.855 -12.208 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -17.427 -20.230 -8.399 1.00 0.00 H new ATOM 0 HZ PHE A 36 -17.524 -19.562 -10.768 1.00 0.00 H new ATOM 541 N SER A 37 -10.045 -19.881 -7.487 1.00 0.00 N ATOM 542 CA SER A 37 -9.438 -19.447 -6.235 1.00 0.00 C ATOM 543 C SER A 37 -8.961 -18.001 -6.335 1.00 0.00 C ATOM 544 O SER A 37 -8.835 -17.307 -5.327 1.00 0.00 O ATOM 545 CB SER A 37 -8.265 -20.359 -5.869 1.00 0.00 C ATOM 546 OG SER A 37 -8.713 -21.666 -5.557 1.00 0.00 O ATOM 0 H SER A 37 -9.435 -19.804 -8.301 1.00 0.00 H new ATOM 0 HA SER A 37 -10.194 -19.508 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.560 -20.401 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.728 -19.942 -5.017 1.00 0.00 H new ATOM 0 HG SER A 37 -7.944 -22.229 -5.328 1.00 0.00 H new ATOM 552 N GLU A 38 -8.697 -17.555 -7.559 1.00 0.00 N ATOM 553 CA GLU A 38 -8.232 -16.193 -7.791 1.00 0.00 C ATOM 554 C GLU A 38 -9.409 -15.224 -7.877 1.00 0.00 C ATOM 555 O GLU A 38 -9.225 -14.007 -7.876 1.00 0.00 O ATOM 556 CB GLU A 38 -7.407 -16.124 -9.078 1.00 0.00 C ATOM 557 CG GLU A 38 -6.206 -17.055 -9.081 1.00 0.00 C ATOM 558 CD GLU A 38 -6.355 -18.196 -10.069 1.00 0.00 C ATOM 559 OE1 GLU A 38 -6.829 -17.945 -11.197 1.00 0.00 O ATOM 560 OE2 GLU A 38 -5.998 -19.339 -9.714 1.00 0.00 O ATOM 0 H GLU A 38 -8.797 -18.117 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.604 -15.903 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.048 -16.369 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.063 -15.100 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.309 -16.484 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.064 -17.462 -8.080 1.00 0.00 H new ATOM 567 N ILE A 39 -10.616 -15.774 -7.950 1.00 0.00 N ATOM 568 CA ILE A 39 -11.822 -14.960 -8.036 1.00 0.00 C ATOM 569 C ILE A 39 -12.103 -14.254 -6.714 1.00 0.00 C ATOM 570 O ILE A 39 -13.085 -13.521 -6.585 1.00 0.00 O ATOM 571 CB ILE A 39 -13.048 -15.809 -8.422 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.823 -16.482 -9.778 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.300 -14.946 -8.454 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.724 -17.673 -10.018 1.00 0.00 C ATOM 0 H ILE A 39 -10.785 -16.780 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.646 -14.216 -8.813 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.185 -16.586 -7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.984 -15.750 -10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.784 -16.803 -9.847 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.158 -15.560 -8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.466 -14.509 -7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -14.174 -14.150 -9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.509 -18.100 -10.998 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.547 -18.424 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.766 -17.354 -9.981 1.00 0.00 H new ATOM 586 N LEU A 40 -11.234 -14.476 -5.734 1.00 0.00 N ATOM 587 CA LEU A 40 -11.387 -13.859 -4.421 1.00 0.00 C ATOM 588 C LEU A 40 -11.539 -12.347 -4.545 1.00 0.00 C ATOM 589 O LEU A 40 -12.028 -11.685 -3.629 1.00 0.00 O ATOM 590 CB LEU A 40 -10.184 -14.192 -3.536 1.00 0.00 C ATOM 591 CG LEU A 40 -8.808 -13.916 -4.143 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.555 -12.419 -4.235 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.718 -14.594 -3.325 1.00 0.00 C ATOM 0 H LEU A 40 -10.416 -15.079 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.290 -14.260 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.271 -13.624 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.236 -15.247 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.788 -14.329 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.571 -12.242 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.317 -11.959 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.595 -11.981 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.746 -14.387 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.738 -14.211 -2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.889 -15.670 -3.312 1.00 0.00 H new ATOM 605 N ASP A 41 -11.119 -11.806 -5.683 1.00 0.00 N ATOM 606 CA ASP A 41 -11.212 -10.372 -5.928 1.00 0.00 C ATOM 607 C ASP A 41 -12.620 -9.861 -5.642 1.00 0.00 C ATOM 608 O ASP A 41 -12.835 -8.662 -5.473 1.00 0.00 O ATOM 609 CB ASP A 41 -10.824 -10.054 -7.373 1.00 0.00 C ATOM 610 CG ASP A 41 -9.961 -8.812 -7.482 1.00 0.00 C ATOM 611 OD1 ASP A 41 -10.527 -7.700 -7.540 1.00 0.00 O ATOM 612 OD2 ASP A 41 -8.720 -8.952 -7.509 1.00 0.00 O ATOM 0 H ASP A 41 -10.711 -12.339 -6.451 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.519 -9.868 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.288 -10.903 -7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.728 -9.918 -7.967 1.00 0.00 H new ATOM 617 N GLY A 42 -13.579 -10.782 -5.591 1.00 0.00 N ATOM 618 CA GLY A 42 -14.955 -10.405 -5.327 1.00 0.00 C ATOM 619 C GLY A 42 -15.728 -10.104 -6.596 1.00 0.00 C ATOM 620 O GLY A 42 -15.794 -8.957 -7.033 1.00 0.00 O ATOM 0 H GLY A 42 -13.427 -11.781 -5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.451 -11.210 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.970 -9.528 -4.679 1.00 0.00 H new ATOM 624 N ASN A 43 -16.314 -11.140 -7.189 1.00 0.00 N ATOM 625 CA ASN A 43 -17.084 -10.981 -8.417 1.00 0.00 C ATOM 626 C ASN A 43 -17.507 -12.337 -8.973 1.00 0.00 C ATOM 627 O ASN A 43 -16.670 -13.129 -9.406 1.00 0.00 O ATOM 628 CB ASN A 43 -16.266 -10.221 -9.463 1.00 0.00 C ATOM 629 CG ASN A 43 -16.701 -8.775 -9.598 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.876 -8.487 -9.825 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.752 -7.856 -9.459 1.00 0.00 N ATOM 0 H ASN A 43 -16.270 -12.097 -6.839 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.981 -10.408 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.211 -10.256 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.363 -10.718 -10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.985 -6.866 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.791 -8.140 -9.271 1.00 0.00 H new ATOM 638 N GLN A 44 -18.810 -12.597 -8.958 1.00 0.00 N ATOM 639 CA GLN A 44 -19.343 -13.858 -9.461 1.00 0.00 C ATOM 640 C GLN A 44 -19.301 -13.898 -10.985 1.00 0.00 C ATOM 641 O GLN A 44 -20.275 -13.548 -11.652 1.00 0.00 O ATOM 642 CB GLN A 44 -20.779 -14.060 -8.973 1.00 0.00 C ATOM 643 CG GLN A 44 -20.955 -15.287 -8.093 1.00 0.00 C ATOM 644 CD GLN A 44 -20.651 -15.007 -6.634 1.00 0.00 C ATOM 645 OE1 GLN A 44 -20.957 -13.931 -6.119 1.00 0.00 O ATOM 646 NE2 GLN A 44 -20.045 -15.977 -5.959 1.00 0.00 N ATOM 0 H GLN A 44 -19.516 -11.952 -8.603 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.719 -14.665 -9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.093 -13.176 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.439 -14.145 -9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.979 -15.651 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.301 -16.083 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -19.810 -16.853 -6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -19.815 -15.846 -4.974 1.00 0.00 H new ATOM 655 N LEU A 45 -18.167 -14.325 -11.529 1.00 0.00 N ATOM 656 CA LEU A 45 -17.998 -14.410 -12.976 1.00 0.00 C ATOM 657 C LEU A 45 -19.206 -15.075 -13.627 1.00 0.00 C ATOM 658 O LEU A 45 -19.916 -15.855 -12.992 1.00 0.00 O ATOM 659 CB LEU A 45 -16.727 -15.190 -13.315 1.00 0.00 C ATOM 660 CG LEU A 45 -15.453 -14.744 -12.596 1.00 0.00 C ATOM 661 CD1 LEU A 45 -14.294 -15.667 -12.941 1.00 0.00 C ATOM 662 CD2 LEU A 45 -15.115 -13.304 -12.955 1.00 0.00 C ATOM 0 H LEU A 45 -17.351 -14.618 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.910 -13.397 -13.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.899 -16.242 -13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.557 -15.120 -14.389 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.627 -14.799 -11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.396 -15.334 -12.420 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.535 -16.685 -12.634 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -14.119 -15.645 -14.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.206 -13.003 -12.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.961 -13.224 -14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.936 -12.652 -12.657 1.00 0.00 H new ATOM 674 N HIS A 46 -19.432 -14.764 -14.900 1.00 0.00 N ATOM 675 CA HIS A 46 -20.553 -15.334 -15.639 1.00 0.00 C ATOM 676 C HIS A 46 -20.220 -15.453 -17.123 1.00 0.00 C ATOM 677 O HIS A 46 -19.443 -14.664 -17.660 1.00 0.00 O ATOM 678 CB HIS A 46 -21.804 -14.475 -15.452 1.00 0.00 C ATOM 679 CG HIS A 46 -22.730 -14.988 -14.392 1.00 0.00 C ATOM 680 ND1 HIS A 46 -23.365 -16.209 -14.473 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.125 -14.437 -13.220 1.00 0.00 C ATOM 682 CE1 HIS A 46 -24.112 -16.387 -13.399 1.00 0.00 C ATOM 683 NE2 HIS A 46 -23.983 -15.326 -12.622 1.00 0.00 N ATOM 0 H HIS A 46 -18.854 -14.121 -15.441 1.00 0.00 H new ATOM 0 HA HIS A 46 -20.746 -16.332 -15.246 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.502 -13.459 -15.198 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -22.342 -14.421 -16.398 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.822 -13.477 -12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -24.724 -17.252 -13.191 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.446 -15.190 -11.723 1.00 0.00 H new ATOM 691 N ILE A 47 -20.813 -16.445 -17.779 1.00 0.00 N ATOM 692 CA ILE A 47 -20.580 -16.667 -19.201 1.00 0.00 C ATOM 693 C ILE A 47 -20.551 -15.348 -19.965 1.00 0.00 C ATOM 694 O ILE A 47 -21.563 -14.654 -20.065 1.00 0.00 O ATOM 695 CB ILE A 47 -21.659 -17.579 -19.813 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.596 -18.972 -19.185 1.00 0.00 C ATOM 697 CG2 ILE A 47 -21.487 -17.664 -21.322 1.00 0.00 C ATOM 698 CD1 ILE A 47 -20.302 -19.704 -19.464 1.00 0.00 C ATOM 0 H ILE A 47 -21.458 -17.108 -17.349 1.00 0.00 H new ATOM 0 HA ILE A 47 -19.610 -17.157 -19.289 1.00 0.00 H new ATOM 0 HB ILE A 47 -22.639 -17.150 -19.602 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.727 -18.882 -18.107 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -22.429 -19.568 -19.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -22.257 -18.312 -21.740 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -21.577 -16.668 -21.755 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -20.504 -18.073 -21.554 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -20.328 -20.684 -18.988 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -20.178 -19.826 -20.540 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -19.466 -19.130 -19.065 1.00 0.00 H new ATOM 710 N ALA A 48 -19.385 -15.008 -20.505 1.00 0.00 N ATOM 711 CA ALA A 48 -19.225 -13.774 -21.265 1.00 0.00 C ATOM 712 C ALA A 48 -19.061 -12.576 -20.336 1.00 0.00 C ATOM 713 O ALA A 48 -19.889 -11.665 -20.331 1.00 0.00 O ATOM 714 CB ALA A 48 -20.414 -13.568 -22.192 1.00 0.00 C ATOM 0 H ALA A 48 -18.537 -15.570 -20.430 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.320 -13.860 -21.867 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.282 -12.643 -22.753 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.485 -14.406 -22.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -21.329 -13.507 -21.602 1.00 0.00 H new ATOM 720 N ASP A 49 -17.989 -12.583 -19.552 1.00 0.00 N ATOM 721 CA ASP A 49 -17.716 -11.496 -18.619 1.00 0.00 C ATOM 722 C ASP A 49 -16.257 -11.059 -18.705 1.00 0.00 C ATOM 723 O ASP A 49 -15.354 -11.892 -18.774 1.00 0.00 O ATOM 724 CB ASP A 49 -18.050 -11.926 -17.190 1.00 0.00 C ATOM 725 CG ASP A 49 -19.440 -11.495 -16.765 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.023 -10.624 -17.442 1.00 0.00 O ATOM 727 OD2 ASP A 49 -19.943 -12.029 -15.754 1.00 0.00 O ATOM 0 H ASP A 49 -17.294 -13.330 -19.544 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.346 -10.649 -18.892 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.969 -13.010 -17.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.316 -11.502 -16.505 1.00 0.00 H new ATOM 732 N GLU A 50 -16.036 -9.748 -18.701 1.00 0.00 N ATOM 733 CA GLU A 50 -14.686 -9.202 -18.781 1.00 0.00 C ATOM 734 C GLU A 50 -13.962 -9.344 -17.445 1.00 0.00 C ATOM 735 O GLU A 50 -14.549 -9.137 -16.383 1.00 0.00 O ATOM 736 CB GLU A 50 -14.731 -7.730 -19.195 1.00 0.00 C ATOM 737 CG GLU A 50 -15.617 -7.464 -20.401 1.00 0.00 C ATOM 738 CD GLU A 50 -16.455 -6.209 -20.244 1.00 0.00 C ATOM 739 OE1 GLU A 50 -15.872 -5.134 -19.990 1.00 0.00 O ATOM 740 OE2 GLU A 50 -17.693 -6.303 -20.376 1.00 0.00 O ATOM 0 H GLU A 50 -16.773 -9.045 -18.643 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.137 -9.767 -19.534 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.088 -7.135 -18.354 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.719 -7.392 -19.417 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.995 -7.372 -21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.275 -8.318 -20.559 1.00 0.00 H new ATOM 747 N VAL A 51 -12.683 -9.699 -17.507 1.00 0.00 N ATOM 748 CA VAL A 51 -11.877 -9.868 -16.303 1.00 0.00 C ATOM 749 C VAL A 51 -10.450 -9.381 -16.524 1.00 0.00 C ATOM 750 O VAL A 51 -9.917 -9.473 -17.629 1.00 0.00 O ATOM 751 CB VAL A 51 -11.842 -11.341 -15.854 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.240 -11.827 -15.505 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.220 -12.212 -16.935 1.00 0.00 C ATOM 0 H VAL A 51 -12.182 -9.875 -18.378 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.345 -9.269 -15.522 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.224 -11.415 -14.959 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.195 -12.870 -15.190 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.644 -11.220 -14.695 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.884 -11.740 -16.380 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.203 -13.250 -16.601 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.809 -12.134 -17.849 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.201 -11.877 -17.131 1.00 0.00 H new ATOM 763 N GLU A 52 -9.836 -8.863 -15.464 1.00 0.00 N ATOM 764 CA GLU A 52 -8.470 -8.361 -15.544 1.00 0.00 C ATOM 765 C GLU A 52 -7.515 -9.255 -14.757 1.00 0.00 C ATOM 766 O GLU A 52 -7.619 -9.369 -13.535 1.00 0.00 O ATOM 767 CB GLU A 52 -8.398 -6.928 -15.013 1.00 0.00 C ATOM 768 CG GLU A 52 -7.333 -6.081 -15.689 1.00 0.00 C ATOM 769 CD GLU A 52 -7.400 -4.622 -15.280 1.00 0.00 C ATOM 770 OE1 GLU A 52 -8.524 -4.094 -15.148 1.00 0.00 O ATOM 771 OE2 GLU A 52 -6.329 -4.009 -15.091 1.00 0.00 O ATOM 0 H GLU A 52 -10.263 -8.780 -14.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.168 -8.369 -16.591 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.369 -6.451 -15.147 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.202 -6.956 -13.941 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.348 -6.478 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.446 -6.157 -16.770 1.00 0.00 H new ATOM 778 N PHE A 53 -6.586 -9.887 -15.466 1.00 0.00 N ATOM 779 CA PHE A 53 -5.614 -10.772 -14.836 1.00 0.00 C ATOM 780 C PHE A 53 -4.225 -10.569 -15.434 1.00 0.00 C ATOM 781 O PHE A 53 -4.085 -10.090 -16.560 1.00 0.00 O ATOM 782 CB PHE A 53 -6.042 -12.232 -14.997 1.00 0.00 C ATOM 783 CG PHE A 53 -6.319 -12.622 -16.421 1.00 0.00 C ATOM 784 CD1 PHE A 53 -7.489 -12.221 -17.047 1.00 0.00 C ATOM 785 CD2 PHE A 53 -5.411 -13.388 -17.134 1.00 0.00 C ATOM 786 CE1 PHE A 53 -7.747 -12.579 -18.357 1.00 0.00 C ATOM 787 CE2 PHE A 53 -5.663 -13.748 -18.444 1.00 0.00 C ATOM 788 CZ PHE A 53 -6.833 -13.342 -19.057 1.00 0.00 C ATOM 0 H PHE A 53 -6.486 -9.803 -16.478 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.573 -10.527 -13.775 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.260 -12.878 -14.597 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.937 -12.408 -14.400 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.207 -11.623 -16.505 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.495 -13.708 -16.660 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.663 -12.262 -18.833 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.947 -14.346 -18.988 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.032 -13.621 -20.081 1.00 0.00 H new ATOM 798 N THR A 54 -3.199 -10.935 -14.672 1.00 0.00 N ATOM 799 CA THR A 54 -1.821 -10.792 -15.125 1.00 0.00 C ATOM 800 C THR A 54 -1.297 -12.097 -15.712 1.00 0.00 C ATOM 801 O THR A 54 -1.276 -13.128 -15.040 1.00 0.00 O ATOM 802 CB THR A 54 -0.895 -10.351 -13.976 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.521 -9.312 -13.214 1.00 0.00 O ATOM 804 CG2 THR A 54 0.440 -9.859 -14.514 1.00 0.00 C ATOM 0 H THR A 54 -3.297 -11.333 -13.738 1.00 0.00 H new ATOM 0 HA THR A 54 -1.821 -10.023 -15.898 1.00 0.00 H new ATOM 0 HB THR A 54 -0.713 -11.213 -13.334 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.927 -9.038 -12.484 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.076 -9.553 -13.684 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.927 -10.661 -15.068 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.274 -9.009 -15.176 1.00 0.00 H new ATOM 968 N ASN A 65 2.194 -19.660 -17.073 1.00 0.00 N ATOM 969 CA ASN A 65 1.409 -18.443 -16.898 1.00 0.00 C ATOM 970 C ASN A 65 0.014 -18.767 -16.373 1.00 0.00 C ATOM 971 O ASN A 65 -0.552 -19.815 -16.685 1.00 0.00 O ATOM 972 CB ASN A 65 1.304 -17.685 -18.223 1.00 0.00 C ATOM 973 CG ASN A 65 0.686 -18.526 -19.323 1.00 0.00 C ATOM 974 OD1 ASN A 65 -0.079 -19.452 -19.056 1.00 0.00 O ATOM 975 ND2 ASN A 65 1.018 -18.206 -20.569 1.00 0.00 N ATOM 0 HA ASN A 65 1.916 -17.814 -16.166 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.706 -16.786 -18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.297 -17.360 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.635 -18.737 -21.351 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.656 -17.430 -20.743 1.00 0.00 H new ATOM 982 N HIS A 66 -0.537 -17.858 -15.573 1.00 0.00 N ATOM 983 CA HIS A 66 -1.867 -18.046 -15.005 1.00 0.00 C ATOM 984 C HIS A 66 -2.501 -16.704 -14.652 1.00 0.00 C ATOM 985 O HIS A 66 -1.839 -15.667 -14.681 1.00 0.00 O ATOM 986 CB HIS A 66 -1.792 -18.931 -13.760 1.00 0.00 C ATOM 987 CG HIS A 66 -1.288 -18.215 -12.545 1.00 0.00 C ATOM 988 ND1 HIS A 66 -1.749 -18.476 -11.272 1.00 0.00 N ATOM 989 CD2 HIS A 66 -0.354 -17.244 -12.414 1.00 0.00 C ATOM 990 CE1 HIS A 66 -1.123 -17.694 -10.411 1.00 0.00 C ATOM 991 NE2 HIS A 66 -0.271 -16.937 -11.078 1.00 0.00 N ATOM 0 H HIS A 66 -0.083 -16.985 -15.304 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.489 -18.536 -15.753 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.783 -19.333 -13.550 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.141 -19.781 -13.967 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.219 -16.795 -13.211 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.281 -17.677 -9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 66 0.348 -16.238 -10.668 1.00 0.00 H new ATOM 999 N ALA A 67 -3.787 -16.732 -14.319 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.510 -15.518 -13.960 1.00 0.00 C ATOM 1001 C ALA A 67 -4.577 -15.347 -12.446 1.00 0.00 C ATOM 1002 O ALA A 67 -4.977 -16.262 -11.726 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.911 -15.543 -14.553 1.00 0.00 C ATOM 0 H ALA A 67 -4.350 -17.582 -14.290 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.968 -14.667 -14.372 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.439 -14.630 -14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.845 -15.610 -15.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.453 -16.407 -14.169 1.00 0.00 H new ATOM 1009 N ILE A 68 -4.182 -14.171 -11.970 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.198 -13.881 -10.542 1.00 0.00 C ATOM 1011 C ILE A 68 -5.161 -12.743 -10.223 1.00 0.00 C ATOM 1012 O ILE A 68 -5.409 -11.873 -11.058 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.794 -13.510 -10.027 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.202 -12.377 -10.866 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.882 -14.728 -10.053 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -0.990 -11.727 -10.236 1.00 0.00 C ATOM 0 H ILE A 68 -3.847 -13.404 -12.553 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.532 -14.789 -10.039 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.880 -13.166 -8.996 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.927 -12.767 -11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.968 -11.618 -11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.894 -14.450 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.299 -15.508 -9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.799 -15.099 -11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.624 -10.933 -10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.264 -11.306 -9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.207 -12.473 -10.098 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.700 -12.754 -9.008 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.636 -11.722 -8.577 1.00 0.00 C ATOM 1030 C ARG A 69 -7.598 -11.357 -9.704 1.00 0.00 C ATOM 1031 O ARG A 69 -7.500 -10.280 -10.292 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.877 -10.476 -8.116 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.963 -10.725 -6.927 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.756 -10.894 -5.640 1.00 0.00 C ATOM 1035 NE ARG A 69 -4.943 -11.459 -4.567 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.009 -10.776 -3.914 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -3.772 -9.509 -4.224 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.311 -11.360 -2.949 1.00 0.00 N ATOM 0 H ARG A 69 -5.505 -13.466 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.215 -12.116 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.283 -10.095 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.596 -9.699 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.365 -11.618 -7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.268 -9.892 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.149 -9.927 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.613 -11.541 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.101 -12.432 -4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.307 -9.057 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.054 -8.987 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.491 -12.335 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.594 -10.835 -2.448 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.526 -12.261 -9.998 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.506 -12.033 -11.053 1.00 0.00 C ATOM 1054 C ILE A 70 -10.508 -10.957 -10.650 1.00 0.00 C ATOM 1055 O ILE A 70 -11.295 -11.141 -9.721 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.270 -13.325 -11.401 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.295 -14.412 -11.858 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.310 -13.052 -12.476 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.976 -15.693 -12.287 1.00 0.00 C ATOM 0 H ILE A 70 -8.620 -13.158 -9.521 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.952 -11.700 -11.931 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.785 -13.678 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.701 -14.030 -12.688 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.603 -14.633 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.841 -13.974 -12.711 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.019 -12.307 -12.115 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.816 -12.679 -13.373 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.224 -16.418 -12.598 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.548 -16.098 -11.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.648 -15.487 -13.120 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.474 -9.831 -11.356 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.381 -8.725 -11.076 1.00 0.00 C ATOM 1073 C LYS A 71 -12.280 -8.440 -12.275 1.00 0.00 C ATOM 1074 O LYS A 71 -11.798 -8.151 -13.370 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.587 -7.468 -10.710 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.453 -6.328 -10.203 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.636 -5.313 -9.421 1.00 0.00 C ATOM 1078 CE LYS A 71 -10.572 -3.975 -10.142 1.00 0.00 C ATOM 1079 NZ LYS A 71 -10.547 -2.832 -9.188 1.00 0.00 N ATOM 0 H LYS A 71 -9.827 -9.661 -12.126 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.010 -9.009 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.852 -7.722 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.033 -7.131 -11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.937 -5.835 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.245 -6.726 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.075 -5.175 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.626 -5.695 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.682 -3.943 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.433 -3.877 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.503 -1.938 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.408 -2.847 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.712 -2.911 -8.573 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.588 -8.521 -12.060 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.556 -8.270 -13.122 1.00 0.00 C ATOM 1095 C LYS A 72 -14.542 -6.801 -13.533 1.00 0.00 C ATOM 1096 O LYS A 72 -14.523 -5.908 -12.685 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.960 -8.670 -12.666 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.807 -9.282 -13.768 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.785 -10.305 -13.217 1.00 0.00 C ATOM 1100 CE LYS A 72 -19.219 -9.965 -13.595 1.00 0.00 C ATOM 1101 NZ LYS A 72 -19.677 -8.702 -12.954 1.00 0.00 N ATOM 0 H LYS A 72 -14.003 -8.759 -11.159 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.276 -8.874 -13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.877 -9.382 -11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.470 -7.790 -12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.356 -8.495 -14.286 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.159 -9.757 -14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.532 -11.294 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.694 -10.349 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.297 -9.871 -14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.876 -10.782 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.713 -8.634 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.395 -8.698 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.244 -7.890 -13.439 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.554 -6.557 -14.839 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.545 -5.195 -15.363 1.00 0.00 C ATOM 1117 C LEU A 73 -15.921 -4.808 -15.896 1.00 0.00 C ATOM 1118 O LEU A 73 -16.645 -5.624 -16.466 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.500 -5.061 -16.471 1.00 0.00 C ATOM 1120 CG LEU A 73 -12.068 -5.444 -16.093 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.277 -5.840 -17.330 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -11.384 -4.296 -15.366 1.00 0.00 C ATOM 0 H LEU A 73 -14.570 -7.284 -15.554 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.289 -4.519 -14.547 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.810 -5.680 -17.313 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.499 -4.028 -16.819 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.107 -6.302 -15.422 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.261 -6.109 -17.041 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.756 -6.693 -17.810 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.246 -5.002 -18.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.366 -4.586 -15.105 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.357 -3.420 -16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.938 -4.059 -14.458 1.00 0.00 H new ATOM 1134 N PRO A 74 -16.290 -3.532 -15.710 1.00 0.00 N ATOM 1135 CA PRO A 74 -17.580 -3.007 -16.167 1.00 0.00 C ATOM 1136 C PRO A 74 -17.661 -2.911 -17.687 1.00 0.00 C ATOM 1137 O PRO A 74 -16.641 -2.800 -18.368 1.00 0.00 O ATOM 1138 CB PRO A 74 -17.638 -1.612 -15.539 1.00 0.00 C ATOM 1139 CG PRO A 74 -16.212 -1.228 -15.339 1.00 0.00 C ATOM 1140 CD PRO A 74 -15.477 -2.504 -15.038 1.00 0.00 C ATOM 0 HA PRO A 74 -18.409 -3.654 -15.879 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.151 -0.905 -16.191 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.181 -1.625 -14.594 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.809 -0.747 -16.230 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.111 -0.517 -14.519 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.458 -2.482 -15.424 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.407 -2.684 -13.965 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.880 -2.953 -18.214 1.00 0.00 N ATOM 1149 CA LYS A 75 -19.095 -2.869 -19.654 1.00 0.00 C ATOM 1150 C LYS A 75 -18.555 -1.555 -20.209 1.00 0.00 C ATOM 1151 O LYS A 75 -18.826 -0.484 -19.667 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.585 -2.998 -19.976 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.930 -4.244 -20.773 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.393 -4.620 -20.614 1.00 0.00 C ATOM 1155 CE LYS A 75 -23.247 -4.015 -21.718 1.00 0.00 C ATOM 1156 NZ LYS A 75 -24.702 -4.180 -21.446 1.00 0.00 N ATOM 0 H LYS A 75 -19.735 -3.045 -17.665 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.556 -3.690 -20.126 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.150 -3.005 -19.044 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.904 -2.119 -20.536 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.709 -4.076 -21.827 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.303 -5.073 -20.444 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.494 -5.705 -20.627 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.754 -4.278 -19.644 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.014 -2.955 -21.818 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.999 -4.487 -22.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -25.250 -3.755 -22.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.929 -5.192 -21.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.944 -3.708 -20.551 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.791 -1.644 -21.293 1.00 0.00 N ATOM 1171 CA GLY A 76 -17.228 -0.454 -21.904 1.00 0.00 C ATOM 1172 C GLY A 76 -15.712 -0.478 -21.928 1.00 0.00 C ATOM 1173 O GLY A 76 -15.093 -0.074 -22.913 1.00 0.00 O ATOM 0 H GLY A 76 -17.552 -2.519 -21.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.603 -0.360 -22.923 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.566 0.426 -21.357 1.00 0.00 H new ATOM 1177 N THR A 77 -15.112 -0.949 -20.840 1.00 0.00 N ATOM 1178 CA THR A 77 -13.659 -1.021 -20.739 1.00 0.00 C ATOM 1179 C THR A 77 -13.060 -1.746 -21.939 1.00 0.00 C ATOM 1180 O THR A 77 -12.394 -1.136 -22.776 1.00 0.00 O ATOM 1181 CB THR A 77 -13.221 -1.738 -19.448 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.699 -1.023 -18.304 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.705 -1.855 -19.383 1.00 0.00 C ATOM 0 H THR A 77 -15.609 -1.287 -20.016 1.00 0.00 H new ATOM 0 HA THR A 77 -13.292 0.005 -20.718 1.00 0.00 H new ATOM 0 HB THR A 77 -13.648 -2.741 -19.452 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.418 -1.486 -17.488 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.419 -2.365 -18.463 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.347 -2.425 -20.240 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.262 -0.859 -19.399 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.301 -3.051 -22.017 1.00 0.00 N ATOM 1192 CA VAL A 78 -12.786 -3.859 -23.115 1.00 0.00 C ATOM 1193 C VAL A 78 -13.905 -4.274 -24.064 1.00 0.00 C ATOM 1194 O VAL A 78 -15.083 -4.054 -23.784 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.072 -5.122 -22.597 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -13.087 -6.160 -22.143 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -11.155 -5.693 -23.668 1.00 0.00 C ATOM 0 H VAL A 78 -13.850 -3.571 -21.332 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.068 -3.240 -23.653 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.461 -4.846 -21.738 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.565 -7.045 -21.780 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.698 -5.745 -21.341 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.727 -6.434 -22.982 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.659 -6.585 -23.285 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.742 -5.955 -24.548 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.406 -4.949 -23.940 1.00 0.00 H new