USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=9 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 43 ASN : amide:sc= -3.13! C(o=-2.8!,f=-5!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -140:sc= 0.327 (180deg=0) USER MOD Set 2.1: A 32 MET CE :methyl -117:sc= -0.201 (180deg=-0.802) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.124 X(o=-0.33,f=-0.17) USER MOD Single : A 10 MET CE :methyl -151:sc= -1.17 (180deg=-1.89!) USER MOD Single : A 16 MET CE :methyl -152:sc= -0.885 (180deg=-1.55!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 160:sc= 0.105 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.21) USER MOD Single : A 46 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.32) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.84! K(o=-2.8!,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0785) USER MOD Single : A 77 THR OG1 : rot -19:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -1.241 -6.315 -17.902 1.00 0.00 N ATOM 67 CA ARG A 8 -2.551 -6.817 -17.508 1.00 0.00 C ATOM 68 C ARG A 8 -3.341 -7.291 -18.724 1.00 0.00 C ATOM 69 O ARG A 8 -3.466 -6.571 -19.714 1.00 0.00 O ATOM 70 CB ARG A 8 -3.336 -5.731 -16.769 1.00 0.00 C ATOM 71 CG ARG A 8 -2.657 -5.247 -15.498 1.00 0.00 C ATOM 72 CD ARG A 8 -3.011 -3.799 -15.194 1.00 0.00 C ATOM 73 NE ARG A 8 -1.910 -2.891 -15.503 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.962 -1.578 -15.304 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.055 -1.025 -14.798 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.919 -0.818 -15.610 1.00 0.00 N ATOM 0 HA ARG A 8 -2.401 -7.666 -16.841 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.484 -4.883 -17.437 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.325 -6.116 -16.519 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.955 -5.879 -14.662 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.576 -5.345 -15.602 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.890 -3.512 -15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.275 -3.704 -14.141 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.054 -3.286 -15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.858 -1.607 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.093 -0.017 -14.646 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.076 -1.241 -15.998 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.960 0.190 -15.457 1.00 0.00 H new ATOM 90 N GLU A 9 -3.870 -8.508 -18.642 1.00 0.00 N ATOM 91 CA GLU A 9 -4.645 -9.078 -19.737 1.00 0.00 C ATOM 92 C GLU A 9 -6.140 -9.020 -19.434 1.00 0.00 C ATOM 93 O GLU A 9 -6.548 -9.002 -18.273 1.00 0.00 O ATOM 94 CB GLU A 9 -4.222 -10.527 -19.991 1.00 0.00 C ATOM 95 CG GLU A 9 -2.805 -10.662 -20.522 1.00 0.00 C ATOM 96 CD GLU A 9 -2.747 -11.379 -21.857 1.00 0.00 C ATOM 97 OE1 GLU A 9 -3.377 -10.891 -22.819 1.00 0.00 O ATOM 98 OE2 GLU A 9 -2.074 -12.427 -21.940 1.00 0.00 O ATOM 0 H GLU A 9 -3.776 -9.117 -17.829 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.449 -8.487 -20.632 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.308 -11.090 -19.062 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.913 -10.979 -20.703 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.365 -9.670 -20.627 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.199 -11.204 -19.796 1.00 0.00 H new ATOM 105 N MET A 10 -6.951 -8.989 -20.487 1.00 0.00 N ATOM 106 CA MET A 10 -8.400 -8.933 -20.333 1.00 0.00 C ATOM 107 C MET A 10 -9.098 -9.593 -21.518 1.00 0.00 C ATOM 108 O MET A 10 -8.711 -9.394 -22.669 1.00 0.00 O ATOM 109 CB MET A 10 -8.864 -7.482 -20.197 1.00 0.00 C ATOM 110 CG MET A 10 -8.101 -6.697 -19.141 1.00 0.00 C ATOM 111 SD MET A 10 -8.627 -4.975 -19.042 1.00 0.00 S ATOM 112 CE MET A 10 -8.624 -4.519 -20.774 1.00 0.00 C ATOM 0 H MET A 10 -6.630 -9.002 -21.455 1.00 0.00 H new ATOM 0 HA MET A 10 -8.666 -9.478 -19.427 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.754 -6.982 -21.159 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.926 -7.470 -19.951 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.240 -7.172 -18.170 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.035 -6.735 -19.365 1.00 0.00 H new ATOM 0 HE1 MET A 10 -8.415 -3.453 -20.869 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.856 -5.088 -21.299 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.599 -4.738 -21.210 1.00 0.00 H new ATOM 122 N GLY A 11 -10.129 -10.380 -21.228 1.00 0.00 N ATOM 123 CA GLY A 11 -10.864 -11.058 -22.281 1.00 0.00 C ATOM 124 C GLY A 11 -12.256 -11.469 -21.843 1.00 0.00 C ATOM 125 O GLY A 11 -12.854 -10.836 -20.974 1.00 0.00 O ATOM 0 H GLY A 11 -10.469 -10.561 -20.283 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.938 -10.402 -23.149 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.310 -11.942 -22.596 1.00 0.00 H new ATOM 129 N VAL A 12 -12.775 -12.533 -22.449 1.00 0.00 N ATOM 130 CA VAL A 12 -14.106 -13.028 -22.118 1.00 0.00 C ATOM 131 C VAL A 12 -14.053 -14.480 -21.656 1.00 0.00 C ATOM 132 O VAL A 12 -13.212 -15.256 -22.112 1.00 0.00 O ATOM 133 CB VAL A 12 -15.061 -12.917 -23.321 1.00 0.00 C ATOM 134 CG1 VAL A 12 -15.209 -11.467 -23.755 1.00 0.00 C ATOM 135 CG2 VAL A 12 -14.568 -13.779 -24.473 1.00 0.00 C ATOM 0 H VAL A 12 -12.294 -13.068 -23.172 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.483 -12.406 -21.306 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.042 -13.282 -23.018 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.888 -11.409 -24.606 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.611 -10.879 -22.930 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.234 -11.071 -24.041 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.255 -13.689 -25.315 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.575 -13.447 -24.777 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.520 -14.820 -24.154 1.00 0.00 H new ATOM 145 N ILE A 13 -14.955 -14.840 -20.750 1.00 0.00 N ATOM 146 CA ILE A 13 -15.012 -16.200 -20.228 1.00 0.00 C ATOM 147 C ILE A 13 -15.714 -17.135 -21.207 1.00 0.00 C ATOM 148 O ILE A 13 -16.859 -16.902 -21.592 1.00 0.00 O ATOM 149 CB ILE A 13 -15.742 -16.252 -18.873 1.00 0.00 C ATOM 150 CG1 ILE A 13 -15.135 -15.236 -17.903 1.00 0.00 C ATOM 151 CG2 ILE A 13 -15.674 -17.655 -18.289 1.00 0.00 C ATOM 152 CD1 ILE A 13 -13.707 -15.549 -17.514 1.00 0.00 C ATOM 0 H ILE A 13 -15.656 -14.209 -20.362 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.982 -16.529 -20.090 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.789 -15.995 -19.031 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.170 -14.246 -18.358 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.748 -15.195 -17.002 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.194 -17.676 -17.331 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.147 -18.358 -18.975 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.632 -17.938 -18.142 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.342 -14.787 -16.825 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.667 -16.525 -17.030 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.081 -15.561 -18.406 1.00 0.00 H new ATOM 164 N ALA A 14 -15.019 -18.197 -21.604 1.00 0.00 N ATOM 165 CA ALA A 14 -15.577 -19.170 -22.534 1.00 0.00 C ATOM 166 C ALA A 14 -16.359 -20.251 -21.795 1.00 0.00 C ATOM 167 O ALA A 14 -17.447 -20.641 -22.217 1.00 0.00 O ATOM 168 CB ALA A 14 -14.470 -19.796 -23.370 1.00 0.00 C ATOM 0 H ALA A 14 -14.069 -18.404 -21.296 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.267 -18.648 -23.196 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.901 -20.521 -24.060 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.956 -19.018 -23.935 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.759 -20.298 -22.714 1.00 0.00 H new ATOM 174 N ALA A 15 -15.797 -20.730 -20.690 1.00 0.00 N ATOM 175 CA ALA A 15 -16.443 -21.765 -19.892 1.00 0.00 C ATOM 176 C ALA A 15 -16.147 -21.578 -18.408 1.00 0.00 C ATOM 177 O ALA A 15 -15.220 -20.859 -18.036 1.00 0.00 O ATOM 178 CB ALA A 15 -15.995 -23.144 -20.353 1.00 0.00 C ATOM 0 H ALA A 15 -14.896 -20.418 -20.327 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.520 -21.680 -20.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.485 -23.907 -19.748 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.264 -23.283 -21.400 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.914 -23.232 -20.241 1.00 0.00 H new ATOM 184 N MET A 16 -16.940 -22.231 -17.564 1.00 0.00 N ATOM 185 CA MET A 16 -16.761 -22.136 -16.120 1.00 0.00 C ATOM 186 C MET A 16 -16.961 -23.496 -15.458 1.00 0.00 C ATOM 187 O MET A 16 -17.544 -23.590 -14.377 1.00 0.00 O ATOM 188 CB MET A 16 -17.739 -21.119 -15.529 1.00 0.00 C ATOM 189 CG MET A 16 -17.601 -19.727 -16.123 1.00 0.00 C ATOM 190 SD MET A 16 -16.831 -18.559 -14.985 1.00 0.00 S ATOM 191 CE MET A 16 -17.963 -18.641 -13.600 1.00 0.00 C ATOM 0 H MET A 16 -17.712 -22.831 -17.855 1.00 0.00 H new ATOM 0 HA MET A 16 -15.741 -21.803 -15.926 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.758 -21.473 -15.687 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.584 -21.062 -14.452 1.00 0.00 H new ATOM 0 HG2 MET A 16 -17.008 -19.783 -17.036 1.00 0.00 H new ATOM 0 HG3 MET A 16 -18.587 -19.357 -16.405 1.00 0.00 H new ATOM 0 HE1 MET A 16 -17.949 -17.693 -13.062 1.00 0.00 H new ATOM 0 HE2 MET A 16 -18.971 -18.836 -13.965 1.00 0.00 H new ATOM 0 HE3 MET A 16 -17.659 -19.444 -12.929 1.00 0.00 H new ATOM 201 N ARG A 17 -16.474 -24.545 -16.112 1.00 0.00 N ATOM 202 CA ARG A 17 -16.601 -25.899 -15.586 1.00 0.00 C ATOM 203 C ARG A 17 -16.382 -25.919 -14.076 1.00 0.00 C ATOM 204 O ARG A 17 -15.615 -25.120 -13.540 1.00 0.00 O ATOM 205 CB ARG A 17 -15.598 -26.831 -16.270 1.00 0.00 C ATOM 206 CG ARG A 17 -15.876 -27.044 -17.749 1.00 0.00 C ATOM 207 CD ARG A 17 -17.301 -27.520 -17.986 1.00 0.00 C ATOM 208 NE ARG A 17 -18.223 -26.406 -18.191 1.00 0.00 N ATOM 209 CZ ARG A 17 -19.536 -26.496 -18.013 1.00 0.00 C ATOM 210 NH1 ARG A 17 -20.079 -27.643 -17.627 1.00 0.00 N ATOM 211 NH2 ARG A 17 -20.309 -25.438 -18.221 1.00 0.00 N ATOM 0 H ARG A 17 -15.988 -24.484 -17.007 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.612 -26.249 -15.794 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.595 -26.421 -16.153 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.608 -27.796 -15.764 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.708 -26.113 -18.290 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.175 -27.776 -18.150 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.324 -28.175 -18.857 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.632 -28.112 -17.133 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.837 -25.509 -18.487 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.488 -28.459 -17.466 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -21.088 -27.709 -17.491 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.895 -24.554 -18.518 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.317 -25.508 -18.084 1.00 0.00 H new ATOM 225 N ASP A 18 -17.062 -26.837 -13.398 1.00 0.00 N ATOM 226 CA ASP A 18 -16.941 -26.962 -11.950 1.00 0.00 C ATOM 227 C ASP A 18 -15.512 -27.316 -11.552 1.00 0.00 C ATOM 228 O ASP A 18 -15.156 -28.490 -11.458 1.00 0.00 O ATOM 229 CB ASP A 18 -17.908 -28.025 -11.426 1.00 0.00 C ATOM 230 CG ASP A 18 -18.593 -27.602 -10.141 1.00 0.00 C ATOM 231 OD1 ASP A 18 -19.288 -26.563 -10.153 1.00 0.00 O ATOM 232 OD2 ASP A 18 -18.436 -28.309 -9.125 1.00 0.00 O ATOM 0 H ASP A 18 -17.702 -27.505 -13.827 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.195 -26.000 -11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -18.662 -28.232 -12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.364 -28.954 -11.256 1.00 0.00 H new ATOM 237 N GLY A 19 -14.696 -26.292 -11.320 1.00 0.00 N ATOM 238 CA GLY A 19 -13.315 -26.517 -10.936 1.00 0.00 C ATOM 239 C GLY A 19 -12.347 -25.658 -11.726 1.00 0.00 C ATOM 240 O GLY A 19 -11.266 -25.322 -11.242 1.00 0.00 O ATOM 0 H GLY A 19 -14.967 -25.311 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.198 -26.307 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.067 -27.568 -11.083 1.00 0.00 H new ATOM 244 N PHE A 20 -12.733 -25.304 -12.947 1.00 0.00 N ATOM 245 CA PHE A 20 -11.891 -24.483 -13.808 1.00 0.00 C ATOM 246 C PHE A 20 -12.721 -23.801 -14.891 1.00 0.00 C ATOM 247 O PHE A 20 -13.899 -24.106 -15.070 1.00 0.00 O ATOM 248 CB PHE A 20 -10.795 -25.336 -14.450 1.00 0.00 C ATOM 249 CG PHE A 20 -11.227 -26.007 -15.723 1.00 0.00 C ATOM 250 CD1 PHE A 20 -12.183 -27.010 -15.703 1.00 0.00 C ATOM 251 CD2 PHE A 20 -10.677 -25.635 -16.939 1.00 0.00 C ATOM 252 CE1 PHE A 20 -12.581 -27.629 -16.872 1.00 0.00 C ATOM 253 CE2 PHE A 20 -11.072 -26.251 -18.112 1.00 0.00 C ATOM 254 CZ PHE A 20 -12.026 -27.249 -18.078 1.00 0.00 C ATOM 0 H PHE A 20 -13.625 -25.573 -13.363 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.427 -23.713 -13.192 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.929 -24.706 -14.656 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.474 -26.097 -13.738 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.622 -27.311 -14.763 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.931 -24.855 -16.971 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.326 -28.410 -16.843 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -10.635 -25.952 -19.053 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.337 -27.731 -18.993 1.00 0.00 H new ATOM 264 N GLY A 21 -12.096 -22.875 -15.613 1.00 0.00 N ATOM 265 CA GLY A 21 -12.792 -22.163 -16.669 1.00 0.00 C ATOM 266 C GLY A 21 -11.882 -21.818 -17.832 1.00 0.00 C ATOM 267 O GLY A 21 -10.844 -22.450 -18.026 1.00 0.00 O ATOM 0 H GLY A 21 -11.121 -22.606 -15.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.621 -22.772 -17.029 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.222 -21.247 -16.264 1.00 0.00 H new ATOM 271 N PHE A 22 -12.273 -20.813 -18.609 1.00 0.00 N ATOM 272 CA PHE A 22 -11.487 -20.387 -19.760 1.00 0.00 C ATOM 273 C PHE A 22 -11.736 -18.914 -20.074 1.00 0.00 C ATOM 274 O PHE A 22 -12.832 -18.399 -19.851 1.00 0.00 O ATOM 275 CB PHE A 22 -11.825 -21.244 -20.982 1.00 0.00 C ATOM 276 CG PHE A 22 -11.025 -22.513 -21.064 1.00 0.00 C ATOM 277 CD1 PHE A 22 -9.645 -22.486 -20.942 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.652 -23.732 -21.263 1.00 0.00 C ATOM 279 CE1 PHE A 22 -8.906 -23.651 -21.018 1.00 0.00 C ATOM 280 CE2 PHE A 22 -10.919 -24.901 -21.339 1.00 0.00 C ATOM 281 CZ PHE A 22 -9.544 -24.860 -21.215 1.00 0.00 C ATOM 0 H PHE A 22 -13.129 -20.279 -18.462 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.433 -20.516 -19.515 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.886 -21.494 -20.959 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.655 -20.658 -21.885 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.141 -21.544 -20.786 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.727 -23.769 -21.360 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.831 -23.616 -20.923 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.420 -25.845 -21.495 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.969 -25.772 -21.272 1.00 0.00 H new ATOM 291 N ILE A 23 -10.712 -18.244 -20.592 1.00 0.00 N ATOM 292 CA ILE A 23 -10.820 -16.832 -20.936 1.00 0.00 C ATOM 293 C ILE A 23 -10.235 -16.557 -22.317 1.00 0.00 C ATOM 294 O ILE A 23 -9.019 -16.595 -22.508 1.00 0.00 O ATOM 295 CB ILE A 23 -10.105 -15.944 -19.902 1.00 0.00 C ATOM 296 CG1 ILE A 23 -10.663 -16.203 -18.501 1.00 0.00 C ATOM 297 CG2 ILE A 23 -10.251 -14.476 -20.273 1.00 0.00 C ATOM 298 CD1 ILE A 23 -9.623 -16.102 -17.407 1.00 0.00 C ATOM 0 H ILE A 23 -9.799 -18.656 -20.783 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.882 -16.588 -20.938 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.044 -16.195 -19.902 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.461 -15.489 -18.299 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.110 -17.197 -18.475 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.740 -13.861 -19.532 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.810 -14.303 -21.255 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.308 -14.210 -20.298 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.090 -16.297 -16.442 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.836 -16.835 -17.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.192 -15.101 -17.406 1.00 0.00 H new ATOM 310 N LYS A 24 -11.108 -16.279 -23.279 1.00 0.00 N ATOM 311 CA LYS A 24 -10.680 -15.993 -24.643 1.00 0.00 C ATOM 312 C LYS A 24 -10.235 -14.541 -24.782 1.00 0.00 C ATOM 313 O LYS A 24 -11.007 -13.618 -24.519 1.00 0.00 O ATOM 314 CB LYS A 24 -11.814 -16.287 -25.628 1.00 0.00 C ATOM 315 CG LYS A 24 -11.450 -16.008 -27.076 1.00 0.00 C ATOM 316 CD LYS A 24 -11.944 -17.110 -27.997 1.00 0.00 C ATOM 317 CE LYS A 24 -13.435 -16.980 -28.273 1.00 0.00 C ATOM 318 NZ LYS A 24 -13.883 -17.905 -29.350 1.00 0.00 N ATOM 0 H LYS A 24 -12.118 -16.246 -23.139 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.831 -16.637 -24.873 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.106 -17.333 -25.531 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.683 -15.687 -25.358 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.881 -15.055 -27.383 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.368 -15.913 -27.168 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.394 -17.073 -28.938 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.740 -18.081 -27.546 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.993 -17.189 -27.360 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.663 -15.953 -28.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.904 -17.786 -29.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.369 -17.690 -30.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.689 -18.887 -29.067 1.00 0.00 H new ATOM 332 N CYS A 25 -8.989 -14.346 -25.196 1.00 0.00 N ATOM 333 CA CYS A 25 -8.442 -13.004 -25.370 1.00 0.00 C ATOM 334 C CYS A 25 -8.622 -12.526 -26.807 1.00 0.00 C ATOM 335 O CYS A 25 -8.496 -13.304 -27.752 1.00 0.00 O ATOM 336 CB CYS A 25 -6.960 -12.983 -24.995 1.00 0.00 C ATOM 337 SG CYS A 25 -6.311 -11.332 -24.643 1.00 0.00 S ATOM 0 H CYS A 25 -8.338 -15.099 -25.418 1.00 0.00 H new ATOM 0 HA CYS A 25 -8.986 -12.328 -24.710 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.809 -13.615 -24.120 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.384 -13.422 -25.809 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.216 -11.435 -23.950 1.00 0.00 H new ATOM 343 N VAL A 26 -8.920 -11.240 -26.964 1.00 0.00 N ATOM 344 CA VAL A 26 -9.119 -10.657 -28.286 1.00 0.00 C ATOM 345 C VAL A 26 -7.812 -10.613 -29.069 1.00 0.00 C ATOM 346 O VAL A 26 -7.779 -10.921 -30.261 1.00 0.00 O ATOM 347 CB VAL A 26 -9.695 -9.232 -28.190 1.00 0.00 C ATOM 348 CG1 VAL A 26 -9.855 -8.626 -29.576 1.00 0.00 C ATOM 349 CG2 VAL A 26 -11.023 -9.243 -27.447 1.00 0.00 C ATOM 0 H VAL A 26 -9.029 -10.582 -26.192 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.832 -11.294 -28.809 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.996 -8.613 -27.628 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.263 -7.619 -29.488 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.883 -8.582 -30.068 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.533 -9.242 -30.166 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.416 -8.228 -27.388 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.733 -9.876 -27.979 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.873 -9.633 -26.440 1.00 0.00 H new ATOM 359 N ASP A 27 -6.735 -10.228 -28.392 1.00 0.00 N ATOM 360 CA ASP A 27 -5.424 -10.145 -29.024 1.00 0.00 C ATOM 361 C ASP A 27 -4.799 -11.530 -29.164 1.00 0.00 C ATOM 362 O ASP A 27 -4.222 -11.860 -30.200 1.00 0.00 O ATOM 363 CB ASP A 27 -4.500 -9.235 -28.213 1.00 0.00 C ATOM 364 CG ASP A 27 -3.907 -8.119 -29.050 1.00 0.00 C ATOM 365 OD1 ASP A 27 -2.929 -8.381 -29.782 1.00 0.00 O ATOM 366 OD2 ASP A 27 -4.421 -6.984 -28.974 1.00 0.00 O ATOM 0 H ASP A 27 -6.745 -9.969 -27.406 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.555 -9.723 -30.020 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.057 -8.805 -27.381 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.694 -9.830 -27.783 1.00 0.00 H new ATOM 371 N ARG A 28 -4.918 -12.336 -28.113 1.00 0.00 N ATOM 372 CA ARG A 28 -4.363 -13.684 -28.118 1.00 0.00 C ATOM 373 C ARG A 28 -5.438 -14.713 -28.455 1.00 0.00 C ATOM 374 O ARG A 28 -6.473 -14.784 -27.793 1.00 0.00 O ATOM 375 CB ARG A 28 -3.741 -14.008 -26.759 1.00 0.00 C ATOM 376 CG ARG A 28 -2.236 -13.802 -26.713 1.00 0.00 C ATOM 377 CD ARG A 28 -1.683 -14.038 -25.316 1.00 0.00 C ATOM 378 NE ARG A 28 -0.464 -13.271 -25.073 1.00 0.00 N ATOM 379 CZ ARG A 28 0.444 -13.604 -24.163 1.00 0.00 C ATOM 380 NH1 ARG A 28 0.272 -14.684 -23.414 1.00 0.00 N ATOM 381 NH2 ARG A 28 1.528 -12.856 -24.001 1.00 0.00 N ATOM 0 H ARG A 28 -5.394 -12.079 -27.248 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.589 -13.728 -28.884 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.208 -13.384 -25.997 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.965 -15.044 -26.504 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.753 -14.481 -27.416 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.997 -12.788 -27.034 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.436 -13.765 -24.577 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.476 -15.100 -25.183 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.301 -12.434 -25.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.560 -15.262 -23.536 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.971 -14.937 -22.716 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.664 -12.024 -24.576 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.225 -13.113 -23.302 1.00 0.00 H new ATOM 395 N ASP A 29 -5.185 -15.508 -29.490 1.00 0.00 N ATOM 396 CA ASP A 29 -6.131 -16.534 -29.915 1.00 0.00 C ATOM 397 C ASP A 29 -5.975 -17.798 -29.075 1.00 0.00 C ATOM 398 O ASP A 29 -5.990 -18.911 -29.602 1.00 0.00 O ATOM 399 CB ASP A 29 -5.929 -16.861 -31.395 1.00 0.00 C ATOM 400 CG ASP A 29 -6.352 -15.722 -32.303 1.00 0.00 C ATOM 401 OD1 ASP A 29 -7.459 -15.182 -32.100 1.00 0.00 O ATOM 402 OD2 ASP A 29 -5.576 -15.372 -33.216 1.00 0.00 O ATOM 0 H ASP A 29 -4.333 -15.462 -30.050 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.140 -16.147 -29.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.879 -17.093 -31.573 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.500 -17.755 -31.648 1.00 0.00 H new ATOM 407 N VAL A 30 -5.823 -17.619 -27.767 1.00 0.00 N ATOM 408 CA VAL A 30 -5.664 -18.745 -26.855 1.00 0.00 C ATOM 409 C VAL A 30 -6.403 -18.498 -25.544 1.00 0.00 C ATOM 410 O VAL A 30 -6.417 -17.380 -25.029 1.00 0.00 O ATOM 411 CB VAL A 30 -4.179 -19.016 -26.551 1.00 0.00 C ATOM 412 CG1 VAL A 30 -3.531 -19.781 -27.695 1.00 0.00 C ATOM 413 CG2 VAL A 30 -3.442 -17.711 -26.287 1.00 0.00 C ATOM 0 H VAL A 30 -5.807 -16.705 -27.315 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.090 -19.617 -27.351 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.116 -19.630 -25.653 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.482 -19.963 -27.462 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.043 -20.733 -27.832 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.603 -19.195 -28.611 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.394 -17.922 -26.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.512 -17.070 -27.165 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.892 -17.206 -25.432 1.00 0.00 H new ATOM 423 N ARG A 31 -7.014 -19.550 -25.009 1.00 0.00 N ATOM 424 CA ARG A 31 -7.755 -19.448 -23.758 1.00 0.00 C ATOM 425 C ARG A 31 -6.808 -19.465 -22.561 1.00 0.00 C ATOM 426 O ARG A 31 -5.711 -20.018 -22.634 1.00 0.00 O ATOM 427 CB ARG A 31 -8.762 -20.594 -23.641 1.00 0.00 C ATOM 428 CG ARG A 31 -9.751 -20.655 -24.793 1.00 0.00 C ATOM 429 CD ARG A 31 -10.150 -22.088 -25.111 1.00 0.00 C ATOM 430 NE ARG A 31 -11.007 -22.169 -26.290 1.00 0.00 N ATOM 431 CZ ARG A 31 -11.189 -23.283 -26.991 1.00 0.00 C ATOM 432 NH1 ARG A 31 -10.576 -24.403 -26.633 1.00 0.00 N ATOM 433 NH2 ARG A 31 -11.986 -23.277 -28.052 1.00 0.00 N ATOM 0 H ARG A 31 -7.010 -20.482 -25.422 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.293 -18.500 -23.761 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.220 -21.538 -23.588 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.312 -20.489 -22.706 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.640 -20.076 -24.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.310 -20.194 -25.677 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.253 -22.686 -25.273 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.670 -22.518 -24.255 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.493 -21.324 -26.592 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.963 -24.411 -25.818 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.717 -25.257 -27.173 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.459 -22.417 -28.330 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.125 -24.132 -28.590 1.00 0.00 H new ATOM 447 N MET A 32 -7.240 -18.855 -21.463 1.00 0.00 N ATOM 448 CA MET A 32 -6.430 -18.801 -20.251 1.00 0.00 C ATOM 449 C MET A 32 -7.126 -19.521 -19.100 1.00 0.00 C ATOM 450 O MET A 32 -7.912 -18.923 -18.365 1.00 0.00 O ATOM 451 CB MET A 32 -6.150 -17.347 -19.864 1.00 0.00 C ATOM 452 CG MET A 32 -5.460 -17.199 -18.517 1.00 0.00 C ATOM 453 SD MET A 32 -3.774 -17.839 -18.527 1.00 0.00 S ATOM 454 CE MET A 32 -2.846 -16.343 -18.855 1.00 0.00 C ATOM 0 H MET A 32 -8.145 -18.391 -21.387 1.00 0.00 H new ATOM 0 HA MET A 32 -5.484 -19.304 -20.452 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.529 -16.888 -20.633 1.00 0.00 H new ATOM 0 HB3 MET A 32 -7.091 -16.797 -19.843 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.443 -16.146 -18.235 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.039 -17.723 -17.757 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.325 -16.440 -19.807 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.528 -15.494 -18.899 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.119 -16.184 -18.058 1.00 0.00 H new ATOM 464 N PHE A 33 -6.832 -20.808 -18.949 1.00 0.00 N ATOM 465 CA PHE A 33 -7.430 -21.609 -17.888 1.00 0.00 C ATOM 466 C PHE A 33 -7.120 -21.016 -16.517 1.00 0.00 C ATOM 467 O PHE A 33 -5.957 -20.883 -16.134 1.00 0.00 O ATOM 468 CB PHE A 33 -6.920 -23.050 -17.959 1.00 0.00 C ATOM 469 CG PHE A 33 -5.710 -23.301 -17.105 1.00 0.00 C ATOM 470 CD1 PHE A 33 -4.437 -23.058 -17.595 1.00 0.00 C ATOM 471 CD2 PHE A 33 -5.846 -23.779 -15.812 1.00 0.00 C ATOM 472 CE1 PHE A 33 -3.323 -23.289 -16.812 1.00 0.00 C ATOM 473 CE2 PHE A 33 -4.735 -24.012 -15.023 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.471 -23.765 -15.524 1.00 0.00 C ATOM 0 H PHE A 33 -6.183 -21.318 -19.548 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.511 -21.605 -18.030 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -7.718 -23.725 -17.651 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.680 -23.291 -18.995 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.314 -22.684 -18.601 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.832 -23.972 -15.416 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.336 -23.097 -17.207 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.855 -24.386 -14.017 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.601 -23.944 -14.910 1.00 0.00 H new ATOM 484 N PHE A 34 -8.168 -20.659 -15.782 1.00 0.00 N ATOM 485 CA PHE A 34 -8.010 -20.078 -14.455 1.00 0.00 C ATOM 486 C PHE A 34 -8.592 -20.997 -13.385 1.00 0.00 C ATOM 487 O PHE A 34 -9.266 -21.980 -13.695 1.00 0.00 O ATOM 488 CB PHE A 34 -8.688 -18.708 -14.390 1.00 0.00 C ATOM 489 CG PHE A 34 -10.185 -18.775 -14.499 1.00 0.00 C ATOM 490 CD1 PHE A 34 -10.802 -18.802 -15.739 1.00 0.00 C ATOM 491 CD2 PHE A 34 -10.975 -18.810 -13.361 1.00 0.00 C ATOM 492 CE1 PHE A 34 -12.179 -18.863 -15.842 1.00 0.00 C ATOM 493 CE2 PHE A 34 -12.352 -18.871 -13.457 1.00 0.00 C ATOM 494 CZ PHE A 34 -12.955 -18.899 -14.700 1.00 0.00 C ATOM 0 H PHE A 34 -9.137 -20.762 -16.084 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.944 -19.957 -14.264 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.421 -18.224 -13.451 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.301 -18.081 -15.193 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.200 -18.775 -16.635 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.509 -18.789 -12.387 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -12.648 -18.882 -16.815 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.956 -18.897 -12.562 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.031 -18.949 -14.778 1.00 0.00 H new ATOM 504 N HIS A 35 -8.325 -20.671 -12.124 1.00 0.00 N ATOM 505 CA HIS A 35 -8.822 -21.468 -11.007 1.00 0.00 C ATOM 506 C HIS A 35 -9.841 -20.680 -10.190 1.00 0.00 C ATOM 507 O HIS A 35 -9.818 -19.449 -10.169 1.00 0.00 O ATOM 508 CB HIS A 35 -7.663 -21.908 -10.112 1.00 0.00 C ATOM 509 CG HIS A 35 -7.165 -23.288 -10.412 1.00 0.00 C ATOM 510 ND1 HIS A 35 -6.427 -23.594 -11.536 1.00 0.00 N ATOM 511 CD2 HIS A 35 -7.302 -24.447 -9.727 1.00 0.00 C ATOM 512 CE1 HIS A 35 -6.133 -24.882 -11.529 1.00 0.00 C ATOM 513 NE2 HIS A 35 -6.652 -25.423 -10.442 1.00 0.00 N ATOM 0 H HIS A 35 -7.768 -19.862 -11.850 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.313 -22.352 -11.413 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.840 -21.202 -10.223 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.982 -21.864 -9.071 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.825 -24.580 -8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.564 -25.404 -12.284 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.582 -26.405 -10.177 1.00 0.00 H new ATOM 521 N PHE A 36 -10.735 -21.398 -9.518 1.00 0.00 N ATOM 522 CA PHE A 36 -11.764 -20.766 -8.701 1.00 0.00 C ATOM 523 C PHE A 36 -11.211 -20.380 -7.332 1.00 0.00 C ATOM 524 O PHE A 36 -11.872 -20.560 -6.309 1.00 0.00 O ATOM 525 CB PHE A 36 -12.960 -21.706 -8.533 1.00 0.00 C ATOM 526 CG PHE A 36 -13.920 -21.666 -9.687 1.00 0.00 C ATOM 527 CD1 PHE A 36 -14.955 -20.746 -9.714 1.00 0.00 C ATOM 528 CD2 PHE A 36 -13.787 -22.550 -10.746 1.00 0.00 C ATOM 529 CE1 PHE A 36 -15.840 -20.708 -10.775 1.00 0.00 C ATOM 530 CE2 PHE A 36 -14.669 -22.517 -11.810 1.00 0.00 C ATOM 531 CZ PHE A 36 -15.696 -21.594 -11.825 1.00 0.00 C ATOM 0 H PHE A 36 -10.767 -22.417 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.091 -19.859 -9.210 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.596 -22.726 -8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -13.492 -21.444 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -15.072 -20.050 -8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -12.985 -23.273 -10.740 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.643 -19.986 -10.783 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -14.555 -23.212 -12.629 1.00 0.00 H new ATOM 0 HZ PHE A 36 -16.385 -21.565 -12.656 1.00 0.00 H new ATOM 541 N SER A 37 -9.992 -19.848 -7.322 1.00 0.00 N ATOM 542 CA SER A 37 -9.347 -19.440 -6.080 1.00 0.00 C ATOM 543 C SER A 37 -8.909 -17.980 -6.149 1.00 0.00 C ATOM 544 O SER A 37 -8.811 -17.302 -5.127 1.00 0.00 O ATOM 545 CB SER A 37 -8.139 -20.333 -5.791 1.00 0.00 C ATOM 546 OG SER A 37 -8.422 -21.254 -4.751 1.00 0.00 O ATOM 0 H SER A 37 -9.432 -19.690 -8.160 1.00 0.00 H new ATOM 0 HA SER A 37 -10.071 -19.546 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.859 -20.875 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.285 -19.716 -5.512 1.00 0.00 H new ATOM 0 HG SER A 37 -7.635 -21.814 -4.587 1.00 0.00 H new ATOM 552 N GLU A 38 -8.647 -17.504 -7.362 1.00 0.00 N ATOM 553 CA GLU A 38 -8.219 -16.125 -7.565 1.00 0.00 C ATOM 554 C GLU A 38 -9.419 -15.183 -7.601 1.00 0.00 C ATOM 555 O GLU A 38 -9.262 -13.962 -7.584 1.00 0.00 O ATOM 556 CB GLU A 38 -7.420 -16.002 -8.865 1.00 0.00 C ATOM 557 CG GLU A 38 -6.207 -16.915 -8.922 1.00 0.00 C ATOM 558 CD GLU A 38 -5.479 -17.003 -7.595 1.00 0.00 C ATOM 559 OE1 GLU A 38 -5.177 -15.939 -7.014 1.00 0.00 O ATOM 560 OE2 GLU A 38 -5.212 -18.133 -7.138 1.00 0.00 O ATOM 0 H GLU A 38 -8.724 -18.053 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.582 -15.842 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.075 -16.228 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.093 -14.969 -8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.522 -17.913 -9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.519 -16.552 -9.686 1.00 0.00 H new ATOM 567 N ILE A 39 -10.615 -15.759 -7.652 1.00 0.00 N ATOM 568 CA ILE A 39 -11.841 -14.972 -7.690 1.00 0.00 C ATOM 569 C ILE A 39 -12.114 -14.315 -6.341 1.00 0.00 C ATOM 570 O ILE A 39 -13.111 -13.611 -6.171 1.00 0.00 O ATOM 571 CB ILE A 39 -13.053 -15.836 -8.083 1.00 0.00 C ATOM 572 CG1 ILE A 39 -12.787 -16.554 -9.408 1.00 0.00 C ATOM 573 CG2 ILE A 39 -14.305 -14.978 -8.181 1.00 0.00 C ATOM 574 CD1 ILE A 39 -13.855 -17.560 -9.775 1.00 0.00 C ATOM 0 H ILE A 39 -10.761 -16.768 -7.668 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.697 -14.199 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.211 -16.588 -7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.708 -15.813 -10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.825 -17.063 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.153 -15.603 -8.460 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.501 -14.509 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -14.159 -14.206 -8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.601 -18.030 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.919 -18.322 -8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.816 -17.054 -9.866 1.00 0.00 H new ATOM 586 N LEU A 40 -11.223 -14.549 -5.384 1.00 0.00 N ATOM 587 CA LEU A 40 -11.366 -13.979 -4.049 1.00 0.00 C ATOM 588 C LEU A 40 -11.555 -12.467 -4.120 1.00 0.00 C ATOM 589 O LEU A 40 -12.145 -11.862 -3.224 1.00 0.00 O ATOM 590 CB LEU A 40 -10.141 -14.312 -3.196 1.00 0.00 C ATOM 591 CG LEU A 40 -8.783 -13.973 -3.812 1.00 0.00 C ATOM 592 CD1 LEU A 40 -8.554 -12.469 -3.807 1.00 0.00 C ATOM 593 CD2 LEU A 40 -7.666 -14.686 -3.064 1.00 0.00 C ATOM 0 H LEU A 40 -10.394 -15.130 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.251 -14.416 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.229 -13.783 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.159 -15.378 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.779 -14.317 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.583 -12.247 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.337 -11.980 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.578 -12.101 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.707 -14.433 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.669 -14.373 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.821 -15.764 -3.120 1.00 0.00 H new ATOM 605 N ASP A 41 -11.053 -11.863 -5.191 1.00 0.00 N ATOM 606 CA ASP A 41 -11.169 -10.421 -5.381 1.00 0.00 C ATOM 607 C ASP A 41 -12.609 -9.961 -5.181 1.00 0.00 C ATOM 608 O ASP A 41 -12.858 -8.847 -4.722 1.00 0.00 O ATOM 609 CB ASP A 41 -10.683 -10.029 -6.777 1.00 0.00 C ATOM 610 CG ASP A 41 -9.352 -9.305 -6.745 1.00 0.00 C ATOM 611 OD1 ASP A 41 -8.614 -9.462 -5.749 1.00 0.00 O ATOM 612 OD2 ASP A 41 -9.047 -8.581 -7.716 1.00 0.00 O ATOM 0 H ASP A 41 -10.562 -12.349 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.544 -9.929 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.591 -10.925 -7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.429 -9.392 -7.252 1.00 0.00 H new ATOM 617 N GLY A 42 -13.556 -10.828 -5.530 1.00 0.00 N ATOM 618 CA GLY A 42 -14.960 -10.491 -5.384 1.00 0.00 C ATOM 619 C GLY A 42 -15.614 -10.143 -6.706 1.00 0.00 C ATOM 620 O GLY A 42 -15.560 -8.996 -7.149 1.00 0.00 O ATOM 0 H GLY A 42 -13.375 -11.757 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.487 -11.331 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.059 -9.648 -4.700 1.00 0.00 H new ATOM 624 N ASN A 43 -16.232 -11.135 -7.338 1.00 0.00 N ATOM 625 CA ASN A 43 -16.898 -10.927 -8.619 1.00 0.00 C ATOM 626 C ASN A 43 -17.323 -12.258 -9.233 1.00 0.00 C ATOM 627 O ASN A 43 -16.506 -12.976 -9.808 1.00 0.00 O ATOM 628 CB ASN A 43 -15.973 -10.181 -9.583 1.00 0.00 C ATOM 629 CG ASN A 43 -16.306 -8.705 -9.678 1.00 0.00 C ATOM 630 OD1 ASN A 43 -17.467 -8.329 -9.843 1.00 0.00 O ATOM 631 ND2 ASN A 43 -15.287 -7.860 -9.574 1.00 0.00 N ATOM 0 H ASN A 43 -16.286 -12.090 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.790 -10.326 -8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.940 -10.297 -9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -16.045 -10.631 -10.573 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.450 -6.855 -9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.341 -8.216 -9.438 1.00 0.00 H new ATOM 638 N GLN A 44 -18.607 -12.578 -9.107 1.00 0.00 N ATOM 639 CA GLN A 44 -19.141 -13.821 -9.649 1.00 0.00 C ATOM 640 C GLN A 44 -19.009 -13.854 -11.168 1.00 0.00 C ATOM 641 O GLN A 44 -19.935 -13.483 -11.890 1.00 0.00 O ATOM 642 CB GLN A 44 -20.608 -13.989 -9.249 1.00 0.00 C ATOM 643 CG GLN A 44 -21.285 -15.181 -9.905 1.00 0.00 C ATOM 644 CD GLN A 44 -22.796 -15.053 -9.930 1.00 0.00 C ATOM 645 OE1 GLN A 44 -23.337 -14.038 -10.369 1.00 0.00 O ATOM 646 NE2 GLN A 44 -23.485 -16.085 -9.458 1.00 0.00 N ATOM 0 H GLN A 44 -19.296 -11.993 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.562 -14.646 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.671 -14.097 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -21.153 -13.082 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.916 -15.287 -10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.010 -16.090 -9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.995 -16.906 -9.104 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.505 -16.057 -9.450 1.00 0.00 H new ATOM 655 N LEU A 45 -17.852 -14.300 -11.646 1.00 0.00 N ATOM 656 CA LEU A 45 -17.599 -14.381 -13.081 1.00 0.00 C ATOM 657 C LEU A 45 -18.743 -15.091 -13.797 1.00 0.00 C ATOM 658 O LEU A 45 -19.532 -15.803 -13.175 1.00 0.00 O ATOM 659 CB LEU A 45 -16.283 -15.115 -13.345 1.00 0.00 C ATOM 660 CG LEU A 45 -15.080 -14.653 -12.521 1.00 0.00 C ATOM 661 CD1 LEU A 45 -13.858 -15.501 -12.839 1.00 0.00 C ATOM 662 CD2 LEU A 45 -14.791 -13.181 -12.777 1.00 0.00 C ATOM 0 H LEU A 45 -17.075 -14.611 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 45 -17.527 -13.365 -13.470 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.439 -16.178 -13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.037 -15.009 -14.402 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.319 -14.777 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -13.012 -15.158 -12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -14.068 -16.544 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -13.617 -15.409 -13.898 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.932 -12.870 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -14.573 -13.031 -13.835 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -15.660 -12.586 -12.498 1.00 0.00 H new ATOM 674 N HIS A 46 -18.826 -14.894 -15.109 1.00 0.00 N ATOM 675 CA HIS A 46 -19.872 -15.519 -15.911 1.00 0.00 C ATOM 676 C HIS A 46 -19.544 -15.428 -17.398 1.00 0.00 C ATOM 677 O HIS A 46 -18.823 -14.527 -17.830 1.00 0.00 O ATOM 678 CB HIS A 46 -21.221 -14.855 -15.633 1.00 0.00 C ATOM 679 CG HIS A 46 -22.249 -15.796 -15.083 1.00 0.00 C ATOM 680 ND1 HIS A 46 -22.415 -17.083 -15.547 1.00 0.00 N ATOM 681 CD2 HIS A 46 -23.165 -15.630 -14.101 1.00 0.00 C ATOM 682 CE1 HIS A 46 -23.391 -17.668 -14.875 1.00 0.00 C ATOM 683 NE2 HIS A 46 -23.863 -16.808 -13.992 1.00 0.00 N ATOM 0 H HIS A 46 -18.182 -14.307 -15.639 1.00 0.00 H new ATOM 0 HA HIS A 46 -19.929 -16.572 -15.633 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -21.076 -14.036 -14.928 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.598 -14.417 -16.557 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -23.319 -14.738 -13.513 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -23.743 -18.678 -15.023 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.622 -16.989 -13.336 1.00 0.00 H new ATOM 691 N ILE A 47 -20.076 -16.365 -18.175 1.00 0.00 N ATOM 692 CA ILE A 47 -19.839 -16.389 -19.613 1.00 0.00 C ATOM 693 C ILE A 47 -19.765 -14.976 -20.182 1.00 0.00 C ATOM 694 O ILE A 47 -20.780 -14.289 -20.298 1.00 0.00 O ATOM 695 CB ILE A 47 -20.942 -17.171 -20.352 1.00 0.00 C ATOM 696 CG1 ILE A 47 -21.018 -18.606 -19.827 1.00 0.00 C ATOM 697 CG2 ILE A 47 -20.684 -17.162 -21.851 1.00 0.00 C ATOM 698 CD1 ILE A 47 -19.690 -19.329 -19.848 1.00 0.00 C ATOM 0 H ILE A 47 -20.674 -17.117 -17.833 1.00 0.00 H new ATOM 0 HA ILE A 47 -18.884 -16.890 -19.767 1.00 0.00 H new ATOM 0 HB ILE A 47 -21.899 -16.685 -20.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -21.398 -18.591 -18.805 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -21.737 -19.166 -20.426 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -21.472 -17.718 -22.359 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -20.675 -16.134 -22.212 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -19.720 -17.627 -22.057 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -19.820 -20.340 -19.462 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -19.318 -19.376 -20.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -18.974 -18.792 -19.226 1.00 0.00 H new ATOM 710 N ALA A 48 -18.558 -14.550 -20.538 1.00 0.00 N ATOM 711 CA ALA A 48 -18.352 -13.221 -21.099 1.00 0.00 C ATOM 712 C ALA A 48 -18.766 -12.137 -20.110 1.00 0.00 C ATOM 713 O ALA A 48 -19.890 -11.637 -20.157 1.00 0.00 O ATOM 714 CB ALA A 48 -19.124 -13.072 -22.402 1.00 0.00 C ATOM 0 H ALA A 48 -17.708 -15.106 -20.448 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.288 -13.102 -21.304 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -18.961 -12.074 -22.810 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.777 -13.818 -23.118 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -20.188 -13.217 -22.213 1.00 0.00 H new ATOM 720 N ASP A 49 -17.852 -11.779 -19.214 1.00 0.00 N ATOM 721 CA ASP A 49 -18.122 -10.754 -18.213 1.00 0.00 C ATOM 722 C ASP A 49 -16.952 -9.783 -18.100 1.00 0.00 C ATOM 723 O ASP A 49 -16.966 -8.872 -17.273 1.00 0.00 O ATOM 724 CB ASP A 49 -18.399 -11.399 -16.854 1.00 0.00 C ATOM 725 CG ASP A 49 -19.869 -11.705 -16.647 1.00 0.00 C ATOM 726 OD1 ASP A 49 -20.381 -12.632 -17.308 1.00 0.00 O ATOM 727 OD2 ASP A 49 -20.509 -11.016 -15.824 1.00 0.00 O ATOM 0 H ASP A 49 -16.917 -12.184 -19.161 1.00 0.00 H new ATOM 0 HA ASP A 49 -19.004 -10.196 -18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.824 -12.321 -16.769 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.054 -10.734 -16.062 1.00 0.00 H new ATOM 732 N GLU A 50 -15.939 -9.984 -18.938 1.00 0.00 N ATOM 733 CA GLU A 50 -14.760 -9.126 -18.930 1.00 0.00 C ATOM 734 C GLU A 50 -14.040 -9.204 -17.586 1.00 0.00 C ATOM 735 O GLU A 50 -14.588 -8.821 -16.553 1.00 0.00 O ATOM 736 CB GLU A 50 -15.153 -7.678 -19.227 1.00 0.00 C ATOM 737 CG GLU A 50 -15.309 -7.382 -20.709 1.00 0.00 C ATOM 738 CD GLU A 50 -15.411 -5.897 -21.000 1.00 0.00 C ATOM 739 OE1 GLU A 50 -14.868 -5.098 -20.209 1.00 0.00 O ATOM 740 OE2 GLU A 50 -16.035 -5.535 -22.020 1.00 0.00 O ATOM 0 H GLU A 50 -15.911 -10.733 -19.630 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.082 -9.477 -19.708 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.091 -7.454 -18.719 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.398 -7.012 -18.810 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.458 -7.797 -21.250 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.201 -7.884 -21.084 1.00 0.00 H new ATOM 747 N VAL A 51 -12.808 -9.702 -17.610 1.00 0.00 N ATOM 748 CA VAL A 51 -12.012 -9.830 -16.395 1.00 0.00 C ATOM 749 C VAL A 51 -10.578 -9.365 -16.626 1.00 0.00 C ATOM 750 O VAL A 51 -10.073 -9.415 -17.746 1.00 0.00 O ATOM 751 CB VAL A 51 -11.992 -11.284 -15.887 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.400 -11.751 -15.551 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.350 -12.200 -16.918 1.00 0.00 C ATOM 0 H VAL A 51 -12.339 -10.023 -18.457 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.480 -9.196 -15.642 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.394 -11.324 -14.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.366 -12.780 -15.194 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.820 -11.111 -14.775 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -14.024 -11.697 -16.443 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.344 -13.223 -16.542 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.919 -12.158 -17.847 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.326 -11.876 -17.105 1.00 0.00 H new ATOM 763 N GLU A 52 -9.929 -8.913 -15.557 1.00 0.00 N ATOM 764 CA GLU A 52 -8.553 -8.439 -15.645 1.00 0.00 C ATOM 765 C GLU A 52 -7.648 -9.218 -14.695 1.00 0.00 C ATOM 766 O GLU A 52 -7.920 -9.313 -13.498 1.00 0.00 O ATOM 767 CB GLU A 52 -8.484 -6.945 -15.322 1.00 0.00 C ATOM 768 CG GLU A 52 -7.066 -6.412 -15.205 1.00 0.00 C ATOM 769 CD GLU A 52 -6.823 -5.679 -13.900 1.00 0.00 C ATOM 770 OE1 GLU A 52 -7.685 -4.867 -13.506 1.00 0.00 O ATOM 771 OE2 GLU A 52 -5.770 -5.919 -13.273 1.00 0.00 O ATOM 0 H GLU A 52 -10.333 -8.865 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.204 -8.600 -16.665 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.009 -6.389 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.011 -6.760 -14.386 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.363 -7.241 -15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.865 -5.739 -16.038 1.00 0.00 H new ATOM 778 N PHE A 53 -6.570 -9.774 -15.238 1.00 0.00 N ATOM 779 CA PHE A 53 -5.624 -10.547 -14.440 1.00 0.00 C ATOM 780 C PHE A 53 -4.193 -10.309 -14.912 1.00 0.00 C ATOM 781 O PHE A 53 -3.964 -9.855 -16.034 1.00 0.00 O ATOM 782 CB PHE A 53 -5.958 -12.038 -14.517 1.00 0.00 C ATOM 783 CG PHE A 53 -6.344 -12.495 -15.895 1.00 0.00 C ATOM 784 CD1 PHE A 53 -5.373 -12.775 -16.843 1.00 0.00 C ATOM 785 CD2 PHE A 53 -7.677 -12.645 -16.242 1.00 0.00 C ATOM 786 CE1 PHE A 53 -5.724 -13.197 -18.112 1.00 0.00 C ATOM 787 CE2 PHE A 53 -8.034 -13.066 -17.509 1.00 0.00 C ATOM 788 CZ PHE A 53 -7.057 -13.341 -18.445 1.00 0.00 C ATOM 0 H PHE A 53 -6.329 -9.704 -16.227 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.706 -10.217 -13.404 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.096 -12.613 -14.180 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.775 -12.255 -13.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.330 -12.662 -16.588 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.446 -12.431 -15.514 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.958 -13.414 -18.841 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.077 -13.180 -17.767 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.334 -13.668 -19.436 1.00 0.00 H new ATOM 798 N THR A 54 -3.232 -10.620 -14.048 1.00 0.00 N ATOM 799 CA THR A 54 -1.823 -10.440 -14.375 1.00 0.00 C ATOM 800 C THR A 54 -1.197 -11.746 -14.850 1.00 0.00 C ATOM 801 O THR A 54 -1.329 -12.782 -14.198 1.00 0.00 O ATOM 802 CB THR A 54 -1.029 -9.913 -13.165 1.00 0.00 C ATOM 803 OG1 THR A 54 -1.701 -8.787 -12.590 1.00 0.00 O ATOM 804 CG2 THR A 54 0.381 -9.515 -13.574 1.00 0.00 C ATOM 0 H THR A 54 -3.404 -10.998 -13.116 1.00 0.00 H new ATOM 0 HA THR A 54 -1.776 -9.705 -15.179 1.00 0.00 H new ATOM 0 HB THR A 54 -0.963 -10.712 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.190 -8.459 -11.820 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.922 -9.146 -12.703 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.900 -10.382 -13.983 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.333 -8.731 -14.330 1.00 0.00 H new ATOM 968 N ASN A 65 1.958 -19.473 -17.398 1.00 0.00 N ATOM 969 CA ASN A 65 1.256 -18.236 -17.073 1.00 0.00 C ATOM 970 C ASN A 65 -0.079 -18.530 -16.395 1.00 0.00 C ATOM 971 O ASN A 65 -0.856 -19.361 -16.864 1.00 0.00 O ATOM 972 CB ASN A 65 1.026 -17.408 -18.339 1.00 0.00 C ATOM 973 CG ASN A 65 0.914 -18.271 -19.581 1.00 0.00 C ATOM 974 OD1 ASN A 65 1.921 -18.690 -20.153 1.00 0.00 O ATOM 975 ND2 ASN A 65 -0.315 -18.540 -20.005 1.00 0.00 N ATOM 0 HA ASN A 65 1.877 -17.666 -16.382 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.115 -16.820 -18.225 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.848 -16.702 -18.463 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.453 -19.115 -20.836 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.121 -18.172 -19.500 1.00 0.00 H new ATOM 982 N HIS A 66 -0.338 -17.842 -15.288 1.00 0.00 N ATOM 983 CA HIS A 66 -1.579 -18.028 -14.545 1.00 0.00 C ATOM 984 C HIS A 66 -2.216 -16.683 -14.206 1.00 0.00 C ATOM 985 O HIS A 66 -1.519 -15.705 -13.939 1.00 0.00 O ATOM 986 CB HIS A 66 -1.317 -18.819 -13.263 1.00 0.00 C ATOM 987 CG HIS A 66 -0.594 -18.034 -12.212 1.00 0.00 C ATOM 988 ND1 HIS A 66 -0.647 -18.345 -10.870 1.00 0.00 N ATOM 989 CD2 HIS A 66 0.205 -16.946 -12.313 1.00 0.00 C ATOM 990 CE1 HIS A 66 0.086 -17.482 -10.190 1.00 0.00 C ATOM 991 NE2 HIS A 66 0.615 -16.622 -11.043 1.00 0.00 N ATOM 0 H HIS A 66 0.295 -17.151 -14.886 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.270 -18.589 -15.174 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.268 -19.163 -12.857 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.734 -19.707 -13.507 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.471 -16.429 -13.223 1.00 0.00 H new ATOM 0 HE1 HIS A 66 0.229 -17.479 -9.119 1.00 0.00 H new ATOM 0 HE2 HIS A 66 1.228 -15.844 -10.798 1.00 0.00 H new ATOM 999 N ALA A 67 -3.544 -16.643 -14.220 1.00 0.00 N ATOM 1000 CA ALA A 67 -4.275 -15.420 -13.913 1.00 0.00 C ATOM 1001 C ALA A 67 -4.495 -15.274 -12.411 1.00 0.00 C ATOM 1002 O ALA A 67 -5.211 -16.067 -11.799 1.00 0.00 O ATOM 1003 CB ALA A 67 -5.607 -15.402 -14.648 1.00 0.00 C ATOM 0 H ALA A 67 -4.136 -17.444 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.676 -14.574 -14.250 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.142 -14.483 -14.409 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.430 -15.450 -15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.204 -16.260 -14.340 1.00 0.00 H new ATOM 1009 N ILE A 68 -3.875 -14.256 -11.823 1.00 0.00 N ATOM 1010 CA ILE A 68 -4.004 -14.007 -10.393 1.00 0.00 C ATOM 1011 C ILE A 68 -5.006 -12.891 -10.118 1.00 0.00 C ATOM 1012 O ILE A 68 -5.321 -12.094 -11.001 1.00 0.00 O ATOM 1013 CB ILE A 68 -2.650 -13.632 -9.762 1.00 0.00 C ATOM 1014 CG1 ILE A 68 -2.093 -12.364 -10.413 1.00 0.00 C ATOM 1015 CG2 ILE A 68 -1.664 -14.782 -9.902 1.00 0.00 C ATOM 1016 CD1 ILE A 68 -1.810 -11.253 -9.427 1.00 0.00 C ATOM 0 H ILE A 68 -3.279 -13.591 -12.315 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.361 -14.933 -9.943 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.802 -13.436 -8.701 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.173 -12.611 -10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.804 -12.006 -11.158 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.712 -14.502 -9.451 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.059 -15.663 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.514 -15.006 -10.958 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.418 -10.386 -9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.732 -10.978 -8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.076 -11.593 -8.696 1.00 0.00 H new ATOM 1028 N ARG A 69 -5.503 -12.840 -8.886 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.470 -11.822 -8.493 1.00 0.00 C ATOM 1030 C ARG A 69 -7.407 -11.488 -9.650 1.00 0.00 C ATOM 1031 O ARG A 69 -7.126 -10.597 -10.452 1.00 0.00 O ATOM 1032 CB ARG A 69 -5.748 -10.556 -8.026 1.00 0.00 C ATOM 1033 CG ARG A 69 -4.794 -10.792 -6.867 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.383 -10.303 -5.553 1.00 0.00 C ATOM 1035 NE ARG A 69 -5.192 -11.268 -4.474 1.00 0.00 N ATOM 1036 CZ ARG A 69 -4.012 -11.534 -3.925 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -2.923 -10.909 -4.352 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -3.919 -12.426 -2.947 1.00 0.00 N ATOM 0 H ARG A 69 -5.252 -13.492 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.064 -12.219 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.192 -10.135 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.489 -9.813 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.567 -11.855 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.852 -10.278 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.919 -9.356 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.448 -10.111 -5.683 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.010 -11.765 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.991 -10.223 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.018 -11.115 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.754 -12.909 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.012 -12.629 -2.527 1.00 0.00 H new ATOM 1052 N ILE A 70 -8.521 -12.208 -9.729 1.00 0.00 N ATOM 1053 CA ILE A 70 -9.499 -11.988 -10.787 1.00 0.00 C ATOM 1054 C ILE A 70 -10.501 -10.907 -10.392 1.00 0.00 C ATOM 1055 O ILE A 70 -11.279 -11.079 -9.454 1.00 0.00 O ATOM 1056 CB ILE A 70 -10.263 -13.281 -11.125 1.00 0.00 C ATOM 1057 CG1 ILE A 70 -9.311 -14.321 -11.720 1.00 0.00 C ATOM 1058 CG2 ILE A 70 -11.403 -12.986 -12.089 1.00 0.00 C ATOM 1059 CD1 ILE A 70 -9.981 -15.638 -12.045 1.00 0.00 C ATOM 0 H ILE A 70 -8.769 -12.949 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.945 -11.663 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.686 -13.687 -10.206 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.865 -13.916 -12.628 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.497 -14.500 -11.018 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -11.934 -13.910 -12.319 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.092 -12.276 -11.631 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.001 -12.561 -13.009 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.247 -16.327 -12.463 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.403 -16.066 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.777 -15.472 -12.771 1.00 0.00 H new ATOM 1071 N LYS A 71 -10.477 -9.794 -11.117 1.00 0.00 N ATOM 1072 CA LYS A 71 -11.385 -8.685 -10.846 1.00 0.00 C ATOM 1073 C LYS A 71 -12.146 -8.285 -12.106 1.00 0.00 C ATOM 1074 O LYS A 71 -11.582 -7.682 -13.020 1.00 0.00 O ATOM 1075 CB LYS A 71 -10.607 -7.483 -10.304 1.00 0.00 C ATOM 1076 CG LYS A 71 -11.472 -6.492 -9.545 1.00 0.00 C ATOM 1077 CD LYS A 71 -10.628 -5.463 -8.812 1.00 0.00 C ATOM 1078 CE LYS A 71 -10.040 -4.439 -9.770 1.00 0.00 C ATOM 1079 NZ LYS A 71 -8.962 -3.635 -9.130 1.00 0.00 N ATOM 0 H LYS A 71 -9.839 -9.636 -11.897 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.105 -9.012 -10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.815 -7.840 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.123 -6.969 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.142 -5.986 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.098 -7.026 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.239 -4.955 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.823 -5.966 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.641 -4.949 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.830 -3.774 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.587 -2.949 -9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.348 -3.128 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.197 -4.266 -8.818 1.00 0.00 H new ATOM 1093 N LYS A 72 -13.430 -8.623 -12.148 1.00 0.00 N ATOM 1094 CA LYS A 72 -14.270 -8.297 -13.294 1.00 0.00 C ATOM 1095 C LYS A 72 -14.127 -6.827 -13.674 1.00 0.00 C ATOM 1096 O LYS A 72 -13.974 -5.964 -12.808 1.00 0.00 O ATOM 1097 CB LYS A 72 -15.735 -8.615 -12.986 1.00 0.00 C ATOM 1098 CG LYS A 72 -16.443 -9.366 -14.100 1.00 0.00 C ATOM 1099 CD LYS A 72 -17.305 -10.492 -13.554 1.00 0.00 C ATOM 1100 CE LYS A 72 -18.756 -10.062 -13.407 1.00 0.00 C ATOM 1101 NZ LYS A 72 -18.941 -9.108 -12.278 1.00 0.00 N ATOM 0 H LYS A 72 -13.912 -9.123 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.942 -8.905 -14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.785 -9.207 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.267 -7.684 -12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.064 -8.674 -14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.705 -9.774 -14.791 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.245 -11.353 -14.220 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.919 -10.810 -12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.093 -9.597 -14.334 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.381 -10.941 -13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.822 -9.333 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.138 -9.186 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.992 -8.138 -12.648 1.00 0.00 H new ATOM 1115 N LEU A 73 -14.178 -6.548 -14.971 1.00 0.00 N ATOM 1116 CA LEU A 73 -14.055 -5.180 -15.465 1.00 0.00 C ATOM 1117 C LEU A 73 -15.421 -4.609 -15.832 1.00 0.00 C ATOM 1118 O LEU A 73 -16.322 -5.324 -16.274 1.00 0.00 O ATOM 1119 CB LEU A 73 -13.129 -5.138 -16.682 1.00 0.00 C ATOM 1120 CG LEU A 73 -11.721 -5.699 -16.473 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -11.257 -6.449 -17.712 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -10.748 -4.582 -16.127 1.00 0.00 C ATOM 0 H LEU A 73 -14.304 -7.250 -15.700 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.628 -4.569 -14.669 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.602 -5.691 -17.493 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.041 -4.103 -17.011 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.749 -6.400 -15.639 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.254 -6.841 -17.546 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.940 -7.274 -17.915 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.244 -5.770 -18.565 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.752 -4.999 -15.982 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.723 -3.857 -16.940 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.072 -4.088 -15.211 1.00 0.00 H new ATOM 1134 N PRO A 74 -15.580 -3.290 -15.648 1.00 0.00 N ATOM 1135 CA PRO A 74 -16.833 -2.593 -15.956 1.00 0.00 C ATOM 1136 C PRO A 74 -17.099 -2.515 -17.455 1.00 0.00 C ATOM 1137 O PRO A 74 -16.227 -2.822 -18.268 1.00 0.00 O ATOM 1138 CB PRO A 74 -16.611 -1.193 -15.379 1.00 0.00 C ATOM 1139 CG PRO A 74 -15.132 -1.014 -15.377 1.00 0.00 C ATOM 1140 CD PRO A 74 -14.550 -2.378 -15.125 1.00 0.00 C ATOM 0 HA PRO A 74 -17.699 -3.108 -15.540 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.101 -0.432 -15.987 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.021 -1.110 -14.373 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.786 -0.612 -16.329 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.825 -0.310 -14.604 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.598 -2.510 -15.639 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.365 -2.546 -14.064 1.00 0.00 H new ATOM 1148 N LYS A 75 -18.309 -2.102 -17.816 1.00 0.00 N ATOM 1149 CA LYS A 75 -18.691 -1.982 -19.218 1.00 0.00 C ATOM 1150 C LYS A 75 -17.953 -0.826 -19.885 1.00 0.00 C ATOM 1151 O LYS A 75 -17.767 0.233 -19.287 1.00 0.00 O ATOM 1152 CB LYS A 75 -20.202 -1.774 -19.341 1.00 0.00 C ATOM 1153 CG LYS A 75 -20.806 -2.415 -20.578 1.00 0.00 C ATOM 1154 CD LYS A 75 -22.277 -2.737 -20.378 1.00 0.00 C ATOM 1155 CE LYS A 75 -22.598 -4.163 -20.801 1.00 0.00 C ATOM 1156 NZ LYS A 75 -21.983 -5.164 -19.887 1.00 0.00 N ATOM 0 H LYS A 75 -19.043 -1.844 -17.156 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.416 -2.907 -19.724 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -20.690 -2.182 -18.456 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.413 -0.705 -19.356 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.692 -1.744 -21.429 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.262 -3.329 -20.818 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.541 -2.599 -19.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -22.885 -2.040 -20.955 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.679 -4.302 -20.818 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.239 -4.330 -21.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.432 -6.090 -20.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.965 -5.237 -20.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.122 -4.865 -18.901 1.00 0.00 H new ATOM 1170 N GLY A 76 -17.535 -1.036 -21.130 1.00 0.00 N ATOM 1171 CA GLY A 76 -16.824 -0.001 -21.858 1.00 0.00 C ATOM 1172 C GLY A 76 -15.319 -0.129 -21.725 1.00 0.00 C ATOM 1173 O GLY A 76 -14.658 0.756 -21.182 1.00 0.00 O ATOM 0 H GLY A 76 -17.676 -1.904 -21.647 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.098 -0.049 -22.912 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.136 0.977 -21.491 1.00 0.00 H new ATOM 1177 N THR A 77 -14.775 -1.236 -22.221 1.00 0.00 N ATOM 1178 CA THR A 77 -13.339 -1.479 -22.152 1.00 0.00 C ATOM 1179 C THR A 77 -12.907 -2.517 -23.182 1.00 0.00 C ATOM 1180 O THR A 77 -12.088 -2.235 -24.056 1.00 0.00 O ATOM 1181 CB THR A 77 -12.916 -1.956 -20.750 1.00 0.00 C ATOM 1182 OG1 THR A 77 -13.363 -1.023 -19.760 1.00 0.00 O ATOM 1183 CG2 THR A 77 -11.405 -2.110 -20.664 1.00 0.00 C ATOM 0 H THR A 77 -15.307 -1.978 -22.675 1.00 0.00 H new ATOM 0 HA THR A 77 -12.847 -0.530 -22.368 1.00 0.00 H new ATOM 0 HB THR A 77 -13.375 -2.927 -20.567 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.560 -0.163 -20.186 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.130 -2.448 -19.665 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.071 -2.842 -21.399 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.929 -1.150 -20.866 1.00 0.00 H new ATOM 1191 N VAL A 78 -13.464 -3.719 -23.072 1.00 0.00 N ATOM 1192 CA VAL A 78 -13.137 -4.800 -23.995 1.00 0.00 C ATOM 1193 C VAL A 78 -14.228 -4.973 -25.047 1.00 0.00 C ATOM 1194 O VAL A 78 -15.398 -4.686 -24.795 1.00 0.00 O ATOM 1195 CB VAL A 78 -12.941 -6.134 -23.251 1.00 0.00 C ATOM 1196 CG1 VAL A 78 -12.324 -7.174 -24.173 1.00 0.00 C ATOM 1197 CG2 VAL A 78 -12.082 -5.930 -22.012 1.00 0.00 C ATOM 0 H VAL A 78 -14.143 -3.969 -22.353 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.203 -4.526 -24.485 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.917 -6.500 -22.933 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.193 -8.110 -23.630 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.981 -7.339 -25.027 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.355 -6.820 -24.524 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.953 -6.882 -21.498 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.107 -5.541 -22.305 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.570 -5.220 -21.344 1.00 0.00 H new