USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 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 16 MET CE :methyl -166:sc= -0.0014 (180deg=-0.194) USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= -0.24 USER MOD Single : A 9 CYS SG : rot 36:sc= 0.0492 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -86:sc= 0.63 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -115:sc= -3.79! USER MOD Single : A 33 SER OG : rot -0:sc= 0.845! USER MOD Single : A 41 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.1) USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= 0.233 (180deg=0.0172) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= -0.234 (180deg=-1.54) USER MOD Single : A 60 GLN : amide:sc= -0.03 K(o=-0.03,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 5.766 -5.983 -9.651 1.00 0.00 N ATOM 42 CA LEU A 4 6.572 -7.136 -10.036 1.00 0.00 C ATOM 43 C LEU A 4 7.884 -6.694 -10.676 1.00 0.00 C ATOM 44 O LEU A 4 7.895 -6.157 -11.784 1.00 0.00 O ATOM 45 CB LEU A 4 5.792 -8.027 -11.005 1.00 0.00 C ATOM 46 CG LEU A 4 4.578 -8.752 -10.422 1.00 0.00 C ATOM 47 CD1 LEU A 4 3.859 -9.543 -11.503 1.00 0.00 C ATOM 48 CD2 LEU A 4 5.000 -9.666 -9.281 1.00 0.00 C ATOM 0 HA LEU A 4 6.803 -7.705 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.457 -7.413 -11.841 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.475 -8.773 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 4 3.888 -8.006 -10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.998 -10.052 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.523 -8.865 -12.287 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.540 -10.280 -11.928 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.124 -10.174 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.710 -10.406 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.469 -9.074 -8.495 1.00 0.00 H new ATOM 60 N ARG A 5 8.987 -6.926 -9.972 1.00 0.00 N ATOM 61 CA ARG A 5 10.305 -6.553 -10.473 1.00 0.00 C ATOM 62 C ARG A 5 11.404 -7.077 -9.553 1.00 0.00 C ATOM 63 O ARG A 5 11.129 -7.575 -8.461 1.00 0.00 O ATOM 64 CB ARG A 5 10.413 -5.033 -10.600 1.00 0.00 C ATOM 65 CG ARG A 5 10.314 -4.301 -9.272 1.00 0.00 C ATOM 66 CD ARG A 5 11.548 -3.451 -9.010 1.00 0.00 C ATOM 67 NE ARG A 5 11.826 -2.536 -10.114 1.00 0.00 N ATOM 68 CZ ARG A 5 12.767 -1.599 -10.072 1.00 0.00 C ATOM 69 NH1 ARG A 5 13.516 -1.455 -8.988 1.00 0.00 N ATOM 70 NH2 ARG A 5 12.960 -0.805 -11.117 1.00 0.00 N ATOM 0 H ARG A 5 8.995 -7.370 -9.054 1.00 0.00 H new ATOM 0 HA ARG A 5 10.434 -7.003 -11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.363 -4.783 -11.073 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.624 -4.675 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.427 -3.667 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.191 -5.024 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.407 -2.880 -8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.409 -4.101 -8.852 1.00 0.00 H new ATOM 0 HE ARG A 5 11.267 -2.621 -10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.371 -2.064 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.238 -0.735 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.386 -0.914 -11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.682 -0.086 -11.084 1.00 0.00 H new ATOM 84 N VAL A 6 12.649 -6.961 -10.002 1.00 0.00 N ATOM 85 CA VAL A 6 13.790 -7.422 -9.220 1.00 0.00 C ATOM 86 C VAL A 6 13.879 -6.682 -7.890 1.00 0.00 C ATOM 87 O VAL A 6 13.967 -5.456 -7.854 1.00 0.00 O ATOM 88 CB VAL A 6 15.111 -7.233 -9.989 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.301 -7.520 -9.086 1.00 0.00 C ATOM 90 CG2 VAL A 6 15.141 -8.123 -11.222 1.00 0.00 C ATOM 0 H VAL A 6 12.894 -6.552 -10.904 1.00 0.00 H new ATOM 0 HA VAL A 6 13.636 -8.485 -9.032 1.00 0.00 H new ATOM 0 HB VAL A 6 15.175 -6.195 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.225 -7.381 -9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.286 -6.837 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.246 -8.548 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.081 -7.977 -11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.054 -9.167 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.310 -7.864 -11.878 1.00 0.00 H new ATOM 100 N GLY A 7 13.857 -7.438 -6.796 1.00 0.00 N ATOM 101 CA GLY A 7 13.936 -6.837 -5.477 1.00 0.00 C ATOM 102 C GLY A 7 13.175 -7.628 -4.433 1.00 0.00 C ATOM 103 O GLY A 7 13.540 -7.630 -3.256 1.00 0.00 O ATOM 0 H GLY A 7 13.786 -8.456 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.981 -6.759 -5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.540 -5.822 -5.519 1.00 0.00 H new ATOM 107 N LEU A 8 12.112 -8.301 -4.861 1.00 0.00 N ATOM 108 CA LEU A 8 11.295 -9.099 -3.953 1.00 0.00 C ATOM 109 C LEU A 8 12.054 -10.335 -3.482 1.00 0.00 C ATOM 110 O LEU A 8 11.983 -10.711 -2.311 1.00 0.00 O ATOM 111 CB LEU A 8 9.994 -9.516 -4.640 1.00 0.00 C ATOM 112 CG LEU A 8 10.143 -10.213 -5.993 1.00 0.00 C ATOM 113 CD1 LEU A 8 9.984 -11.718 -5.840 1.00 0.00 C ATOM 114 CD2 LEU A 8 9.130 -9.667 -6.989 1.00 0.00 C ATOM 0 H LEU A 8 11.796 -8.310 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 8 11.059 -8.487 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.449 -10.181 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.378 -8.627 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 8 11.144 -10.011 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.093 -12.196 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.748 -12.097 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.997 -11.940 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.251 -10.175 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.121 -9.838 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.291 -8.597 -7.123 1.00 0.00 H new ATOM 126 N CYS A 9 12.781 -10.962 -4.400 1.00 0.00 N ATOM 127 CA CYS A 9 13.555 -12.156 -4.078 1.00 0.00 C ATOM 128 C CYS A 9 14.715 -12.331 -5.053 1.00 0.00 C ATOM 129 O CYS A 9 14.722 -11.780 -6.154 1.00 0.00 O ATOM 130 CB CYS A 9 12.658 -13.394 -4.107 1.00 0.00 C ATOM 131 SG CYS A 9 11.916 -13.805 -2.510 1.00 0.00 S ATOM 0 H CYS A 9 12.851 -10.664 -5.373 1.00 0.00 H new ATOM 0 HA CYS A 9 13.962 -12.035 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.863 -13.236 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.243 -14.246 -4.454 1.00 0.00 H new ATOM 0 HG CYS A 9 11.637 -12.710 -1.867 1.00 0.00 H new ATOM 137 N PRO A 10 15.722 -13.115 -4.640 1.00 0.00 N ATOM 138 CA PRO A 10 16.907 -13.379 -5.462 1.00 0.00 C ATOM 139 C PRO A 10 16.591 -14.255 -6.670 1.00 0.00 C ATOM 140 O PRO A 10 17.175 -14.087 -7.740 1.00 0.00 O ATOM 141 CB PRO A 10 17.848 -14.112 -4.502 1.00 0.00 C ATOM 142 CG PRO A 10 16.947 -14.741 -3.495 1.00 0.00 C ATOM 143 CD PRO A 10 15.782 -13.803 -3.340 1.00 0.00 C ATOM 0 HA PRO A 10 17.328 -12.463 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.442 -14.862 -5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.548 -13.423 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.615 -15.724 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.462 -14.884 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.858 -14.341 -3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.938 -13.101 -2.521 1.00 0.00 H new ATOM 151 N GLY A 11 15.662 -15.189 -6.492 1.00 0.00 N ATOM 152 CA GLY A 11 15.285 -16.076 -7.576 1.00 0.00 C ATOM 153 C GLY A 11 14.946 -15.325 -8.848 1.00 0.00 C ATOM 154 O GLY A 11 15.471 -15.633 -9.919 1.00 0.00 O ATOM 0 H GLY A 11 15.164 -15.347 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.102 -16.770 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.426 -16.673 -7.271 1.00 0.00 H new ATOM 158 N LEU A 12 14.064 -14.339 -8.734 1.00 0.00 N ATOM 159 CA LEU A 12 13.653 -13.542 -9.885 1.00 0.00 C ATOM 160 C LEU A 12 14.819 -12.714 -10.418 1.00 0.00 C ATOM 161 O LEU A 12 15.577 -12.122 -9.649 1.00 0.00 O ATOM 162 CB LEU A 12 12.491 -12.622 -9.505 1.00 0.00 C ATOM 163 CG LEU A 12 11.116 -13.022 -10.041 1.00 0.00 C ATOM 164 CD1 LEU A 12 10.035 -12.124 -9.460 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.099 -12.965 -11.561 1.00 0.00 C ATOM 0 H LEU A 12 13.619 -14.072 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 12 13.326 -14.224 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.434 -12.571 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.719 -11.617 -9.859 1.00 0.00 H new ATOM 0 HG LEU A 12 10.912 -14.048 -9.734 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.063 -12.423 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.031 -12.215 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.235 -11.089 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.113 -13.253 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.325 -11.951 -11.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.847 -13.651 -11.959 1.00 0.00 H new ATOM 177 N THR A 13 14.955 -12.676 -11.740 1.00 0.00 N ATOM 178 CA THR A 13 16.027 -11.921 -12.376 1.00 0.00 C ATOM 179 C THR A 13 15.469 -10.795 -13.239 1.00 0.00 C ATOM 180 O THR A 13 14.322 -10.851 -13.681 1.00 0.00 O ATOM 181 CB THR A 13 16.913 -12.830 -13.248 1.00 0.00 C ATOM 182 OG1 THR A 13 16.104 -13.792 -13.933 1.00 0.00 O ATOM 183 CG2 THR A 13 17.953 -13.546 -12.400 1.00 0.00 C ATOM 0 H THR A 13 14.336 -13.159 -12.391 1.00 0.00 H new ATOM 0 HA THR A 13 16.632 -11.496 -11.576 1.00 0.00 H new ATOM 0 HB THR A 13 17.429 -12.206 -13.977 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.675 -14.365 -14.486 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.567 -14.182 -13.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.586 -12.811 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.452 -14.159 -11.651 1.00 0.00 H new ATOM 191 N GLU A 14 16.288 -9.775 -13.475 1.00 0.00 N ATOM 192 CA GLU A 14 15.874 -8.636 -14.286 1.00 0.00 C ATOM 193 C GLU A 14 15.451 -9.087 -15.681 1.00 0.00 C ATOM 194 O GLU A 14 14.629 -8.440 -16.331 1.00 0.00 O ATOM 195 CB GLU A 14 17.009 -7.616 -14.390 1.00 0.00 C ATOM 196 CG GLU A 14 18.338 -8.225 -14.808 1.00 0.00 C ATOM 197 CD GLU A 14 19.307 -7.193 -15.350 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.932 -6.003 -15.415 1.00 0.00 O ATOM 199 OE2 GLU A 14 20.441 -7.574 -15.709 1.00 0.00 O ATOM 0 H GLU A 14 17.241 -9.714 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 14 15.018 -8.168 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.730 -6.846 -15.109 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.132 -7.122 -13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.789 -8.727 -13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.162 -8.987 -15.568 1.00 0.00 H new ATOM 206 N GLU A 15 16.019 -10.200 -16.135 1.00 0.00 N ATOM 207 CA GLU A 15 15.702 -10.735 -17.454 1.00 0.00 C ATOM 208 C GLU A 15 14.281 -11.292 -17.488 1.00 0.00 C ATOM 209 O GLU A 15 13.577 -11.164 -18.489 1.00 0.00 O ATOM 210 CB GLU A 15 16.699 -11.831 -17.837 1.00 0.00 C ATOM 211 CG GLU A 15 17.974 -11.299 -18.469 1.00 0.00 C ATOM 212 CD GLU A 15 19.161 -12.217 -18.250 1.00 0.00 C ATOM 213 OE1 GLU A 15 19.365 -12.658 -17.100 1.00 0.00 O ATOM 214 OE2 GLU A 15 19.886 -12.494 -19.229 1.00 0.00 O ATOM 0 H GLU A 15 16.700 -10.748 -15.610 1.00 0.00 H new ATOM 0 HA GLU A 15 15.773 -9.920 -18.175 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.957 -12.404 -16.946 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.219 -12.520 -18.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.816 -11.165 -19.539 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.198 -10.316 -18.054 1.00 0.00 H new ATOM 221 N MET A 16 13.867 -11.909 -16.386 1.00 0.00 N ATOM 222 CA MET A 16 12.530 -12.484 -16.289 1.00 0.00 C ATOM 223 C MET A 16 11.467 -11.391 -16.290 1.00 0.00 C ATOM 224 O MET A 16 10.361 -11.588 -16.794 1.00 0.00 O ATOM 225 CB MET A 16 12.407 -13.331 -15.021 1.00 0.00 C ATOM 226 CG MET A 16 12.177 -14.808 -15.296 1.00 0.00 C ATOM 227 SD MET A 16 10.556 -15.137 -16.013 1.00 0.00 S ATOM 228 CE MET A 16 9.501 -14.904 -14.584 1.00 0.00 C ATOM 0 H MET A 16 14.437 -12.024 -15.548 1.00 0.00 H new ATOM 0 HA MET A 16 12.371 -13.121 -17.159 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.315 -13.217 -14.429 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.583 -12.950 -14.418 1.00 0.00 H new ATOM 0 HG2 MET A 16 12.950 -15.172 -15.973 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.279 -15.367 -14.366 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.510 -15.308 -14.793 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.930 -15.422 -13.726 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.420 -13.840 -14.361 1.00 0.00 H new ATOM 238 N ILE A 17 11.808 -10.239 -15.722 1.00 0.00 N ATOM 239 CA ILE A 17 10.882 -9.115 -15.659 1.00 0.00 C ATOM 240 C ILE A 17 10.488 -8.647 -17.056 1.00 0.00 C ATOM 241 O ILE A 17 9.340 -8.275 -17.296 1.00 0.00 O ATOM 242 CB ILE A 17 11.488 -7.929 -14.885 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.075 -8.407 -13.555 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.435 -6.856 -14.651 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.090 -9.175 -12.701 1.00 0.00 C ATOM 0 H ILE A 17 12.719 -10.060 -15.299 1.00 0.00 H new ATOM 0 HA ILE A 17 9.995 -9.467 -15.133 1.00 0.00 H new ATOM 0 HB ILE A 17 12.292 -7.497 -15.481 1.00 0.00 H new ATOM 0 HG12 ILE A 17 12.940 -9.039 -13.755 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.434 -7.544 -12.994 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.878 -6.025 -14.103 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.060 -6.499 -15.610 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.612 -7.274 -14.072 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.574 -9.483 -11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.235 -8.539 -12.470 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.750 -10.058 -13.243 1.00 0.00 H new ATOM 257 N GLN A 18 11.449 -8.672 -17.975 1.00 0.00 N ATOM 258 CA GLN A 18 11.202 -8.252 -19.349 1.00 0.00 C ATOM 259 C GLN A 18 10.085 -9.077 -19.978 1.00 0.00 C ATOM 260 O GLN A 18 9.270 -8.559 -20.742 1.00 0.00 O ATOM 261 CB GLN A 18 12.478 -8.381 -20.181 1.00 0.00 C ATOM 262 CG GLN A 18 12.557 -7.390 -21.332 1.00 0.00 C ATOM 263 CD GLN A 18 13.920 -7.375 -21.996 1.00 0.00 C ATOM 264 OE1 GLN A 18 14.814 -6.633 -21.589 1.00 0.00 O ATOM 265 NE2 GLN A 18 14.086 -8.196 -23.026 1.00 0.00 N ATOM 0 H GLN A 18 12.405 -8.978 -17.793 1.00 0.00 H new ATOM 0 HA GLN A 18 10.892 -7.207 -19.333 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.341 -8.240 -19.531 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.541 -9.394 -20.579 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.798 -7.639 -22.074 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.326 -6.391 -20.963 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.318 -8.794 -23.330 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.982 -8.229 -23.513 1.00 0.00 H new ATOM 274 N LEU A 19 10.052 -10.365 -19.653 1.00 0.00 N ATOM 275 CA LEU A 19 9.035 -11.264 -20.187 1.00 0.00 C ATOM 276 C LEU A 19 7.659 -10.928 -19.619 1.00 0.00 C ATOM 277 O LEU A 19 6.649 -11.019 -20.317 1.00 0.00 O ATOM 278 CB LEU A 19 9.390 -12.716 -19.866 1.00 0.00 C ATOM 279 CG LEU A 19 10.418 -13.375 -20.787 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.939 -14.664 -20.170 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.811 -13.644 -22.156 1.00 0.00 C ATOM 0 H LEU A 19 10.718 -10.810 -19.022 1.00 0.00 H new ATOM 0 HA LEU A 19 9.003 -11.135 -21.269 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.767 -12.760 -18.844 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.475 -13.308 -19.894 1.00 0.00 H new ATOM 0 HG LEU A 19 11.258 -12.691 -20.912 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.669 -15.119 -20.839 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.412 -14.444 -19.213 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.110 -15.354 -20.015 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.556 -14.113 -22.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.954 -14.309 -22.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.488 -12.703 -22.602 1.00 0.00 H new ATOM 293 N LEU A 20 7.629 -10.536 -18.350 1.00 0.00 N ATOM 294 CA LEU A 20 6.377 -10.183 -17.688 1.00 0.00 C ATOM 295 C LEU A 20 5.686 -9.030 -18.409 1.00 0.00 C ATOM 296 O LEU A 20 4.474 -9.055 -18.620 1.00 0.00 O ATOM 297 CB LEU A 20 6.638 -9.805 -16.229 1.00 0.00 C ATOM 298 CG LEU A 20 6.750 -10.968 -15.243 1.00 0.00 C ATOM 299 CD1 LEU A 20 5.420 -11.206 -14.545 1.00 0.00 C ATOM 300 CD2 LEU A 20 7.212 -12.230 -15.958 1.00 0.00 C ATOM 0 H LEU A 20 8.456 -10.454 -17.759 1.00 0.00 H new ATOM 0 HA LEU A 20 5.720 -11.052 -17.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.561 -9.227 -16.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.834 -9.149 -15.896 1.00 0.00 H new ATOM 0 HG LEU A 20 7.492 -10.709 -14.488 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.519 -12.037 -13.847 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.129 -10.308 -14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.657 -11.444 -15.287 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.286 -13.048 -15.241 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.493 -12.492 -16.734 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.188 -12.055 -16.411 1.00 0.00 H new ATOM 312 N ARG A 21 6.467 -8.023 -18.786 1.00 0.00 N ATOM 313 CA ARG A 21 5.930 -6.861 -19.485 1.00 0.00 C ATOM 314 C ARG A 21 5.306 -7.268 -20.817 1.00 0.00 C ATOM 315 O ARG A 21 4.385 -6.616 -21.307 1.00 0.00 O ATOM 316 CB ARG A 21 7.032 -5.827 -19.721 1.00 0.00 C ATOM 317 CG ARG A 21 6.513 -4.406 -19.867 1.00 0.00 C ATOM 318 CD ARG A 21 7.553 -3.386 -19.431 1.00 0.00 C ATOM 319 NE ARG A 21 6.960 -2.077 -19.170 1.00 0.00 N ATOM 320 CZ ARG A 21 6.184 -1.817 -18.124 1.00 0.00 C ATOM 321 NH1 ARG A 21 5.909 -2.772 -17.246 1.00 0.00 N ATOM 322 NH2 ARG A 21 5.681 -0.601 -17.955 1.00 0.00 N ATOM 0 H ARG A 21 7.473 -7.988 -18.619 1.00 0.00 H new ATOM 0 HA ARG A 21 5.154 -6.419 -18.860 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.737 -5.864 -18.890 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.585 -6.097 -20.621 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.236 -4.224 -20.905 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.609 -4.284 -19.270 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.055 -3.742 -18.532 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.315 -3.291 -20.205 1.00 0.00 H new ATOM 0 HE ARG A 21 7.152 -1.321 -19.827 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.294 -3.708 -17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.313 -2.570 -16.443 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.890 0.136 -18.629 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.085 -0.403 -17.151 1.00 0.00 H new ATOM 336 N SER A 22 5.816 -8.350 -21.397 1.00 0.00 N ATOM 337 CA SER A 22 5.312 -8.841 -22.674 1.00 0.00 C ATOM 338 C SER A 22 3.832 -9.198 -22.573 1.00 0.00 C ATOM 339 O SER A 22 3.112 -9.199 -23.573 1.00 0.00 O ATOM 340 CB SER A 22 6.113 -10.064 -23.126 1.00 0.00 C ATOM 341 OG SER A 22 5.423 -11.265 -22.827 1.00 0.00 O ATOM 0 H SER A 22 6.577 -8.903 -21.003 1.00 0.00 H new ATOM 0 HA SER A 22 5.427 -8.047 -23.412 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.299 -10.005 -24.198 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.086 -10.068 -22.634 1.00 0.00 H new ATOM 0 HG SER A 22 5.626 -11.539 -21.908 1.00 0.00 H new ATOM 347 N HIS A 23 3.384 -9.500 -21.359 1.00 0.00 N ATOM 348 CA HIS A 23 1.990 -9.858 -21.126 1.00 0.00 C ATOM 349 C HIS A 23 1.253 -8.733 -20.405 1.00 0.00 C ATOM 350 O HIS A 23 0.122 -8.909 -19.952 1.00 0.00 O ATOM 351 CB HIS A 23 1.902 -11.147 -20.308 1.00 0.00 C ATOM 352 CG HIS A 23 2.455 -12.345 -21.016 1.00 0.00 C ATOM 353 ND1 HIS A 23 2.085 -12.700 -22.296 1.00 0.00 N ATOM 354 CD2 HIS A 23 3.358 -13.271 -20.617 1.00 0.00 C ATOM 355 CE1 HIS A 23 2.734 -13.794 -22.653 1.00 0.00 C ATOM 356 NE2 HIS A 23 3.514 -14.160 -21.652 1.00 0.00 N ATOM 0 H HIS A 23 3.966 -9.504 -20.521 1.00 0.00 H new ATOM 0 HA HIS A 23 1.515 -10.018 -22.094 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.440 -11.010 -19.370 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.859 -11.335 -20.053 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.862 -13.304 -19.662 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.642 -14.302 -23.602 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.132 -14.971 -21.648 1.00 0.00 H new ATOM 364 N ARG A 24 1.902 -7.578 -20.302 1.00 0.00 N ATOM 365 CA ARG A 24 1.310 -6.425 -19.635 1.00 0.00 C ATOM 366 C ARG A 24 0.881 -6.781 -18.214 1.00 0.00 C ATOM 367 O ARG A 24 -0.110 -6.257 -17.705 1.00 0.00 O ATOM 368 CB ARG A 24 0.107 -5.913 -20.428 1.00 0.00 C ATOM 369 CG ARG A 24 0.485 -5.215 -21.725 1.00 0.00 C ATOM 370 CD ARG A 24 0.774 -3.739 -21.499 1.00 0.00 C ATOM 371 NE ARG A 24 1.468 -3.137 -22.634 1.00 0.00 N ATOM 372 CZ ARG A 24 0.858 -2.762 -23.753 1.00 0.00 C ATOM 373 NH1 ARG A 24 -0.451 -2.925 -23.886 1.00 0.00 N ATOM 374 NH2 ARG A 24 1.558 -2.222 -24.743 1.00 0.00 N ATOM 0 H ARG A 24 2.839 -7.416 -20.672 1.00 0.00 H new ATOM 0 HA ARG A 24 2.064 -5.639 -19.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.551 -6.751 -20.655 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.461 -5.222 -19.805 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.362 -5.697 -22.157 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.325 -5.322 -22.447 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.162 -3.209 -21.324 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.379 -3.622 -20.600 1.00 0.00 H new ATOM 0 HE ARG A 24 2.476 -2.997 -22.564 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.993 -3.339 -23.128 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.916 -2.636 -24.747 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.565 -2.095 -24.645 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.089 -1.934 -25.602 1.00 0.00 H new ATOM 388 N ILE A 25 1.635 -7.673 -17.580 1.00 0.00 N ATOM 389 CA ILE A 25 1.333 -8.097 -16.219 1.00 0.00 C ATOM 390 C ILE A 25 1.155 -6.897 -15.295 1.00 0.00 C ATOM 391 O ILE A 25 1.793 -5.860 -15.477 1.00 0.00 O ATOM 392 CB ILE A 25 2.441 -9.006 -15.654 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.594 -10.258 -16.518 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.132 -9.384 -14.213 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.443 -11.230 -16.384 1.00 0.00 C ATOM 0 H ILE A 25 2.459 -8.116 -17.987 1.00 0.00 H new ATOM 0 HA ILE A 25 0.400 -8.659 -16.264 1.00 0.00 H new ATOM 0 HB ILE A 25 3.384 -8.459 -15.671 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.687 -9.960 -17.562 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.520 -10.765 -16.248 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.924 -10.026 -13.828 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.069 -8.481 -13.605 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.181 -9.916 -14.172 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.620 -12.094 -17.025 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.362 -11.558 -15.348 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.516 -10.740 -16.683 1.00 0.00 H new ATOM 407 N LYS A 26 0.284 -7.045 -14.303 1.00 0.00 N ATOM 408 CA LYS A 26 0.023 -5.975 -13.347 1.00 0.00 C ATOM 409 C LYS A 26 0.993 -6.046 -12.172 1.00 0.00 C ATOM 410 O LYS A 26 1.937 -6.837 -12.179 1.00 0.00 O ATOM 411 CB LYS A 26 -1.418 -6.058 -12.838 1.00 0.00 C ATOM 412 CG LYS A 26 -2.228 -4.800 -13.099 1.00 0.00 C ATOM 413 CD LYS A 26 -2.843 -4.811 -14.489 1.00 0.00 C ATOM 414 CE LYS A 26 -3.447 -3.461 -14.841 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.726 -3.219 -14.117 1.00 0.00 N ATOM 0 H LYS A 26 -0.254 -7.896 -14.140 1.00 0.00 H new ATOM 0 HA LYS A 26 0.167 -5.023 -13.858 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.914 -6.905 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.405 -6.256 -11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.017 -4.713 -12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.588 -3.925 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.081 -5.073 -15.223 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.613 -5.580 -14.541 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.737 -2.671 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.623 -3.411 -15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.106 -2.288 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.413 -3.958 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.554 -3.241 -13.092 1.00 0.00 H new ATOM 429 N THR A 27 0.754 -5.215 -11.162 1.00 0.00 N ATOM 430 CA THR A 27 1.606 -5.184 -9.980 1.00 0.00 C ATOM 431 C THR A 27 1.404 -6.429 -9.124 1.00 0.00 C ATOM 432 O THR A 27 0.650 -7.331 -9.489 1.00 0.00 O ATOM 433 CB THR A 27 1.331 -3.934 -9.122 1.00 0.00 C ATOM 434 OG1 THR A 27 0.154 -4.133 -8.332 1.00 0.00 O ATOM 435 CG2 THR A 27 1.158 -2.703 -9.999 1.00 0.00 C ATOM 0 H THR A 27 -0.023 -4.554 -11.139 1.00 0.00 H new ATOM 0 HA THR A 27 2.637 -5.153 -10.334 1.00 0.00 H new ATOM 0 HB THR A 27 2.186 -3.775 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.540 -3.501 -8.613 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.965 -1.833 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.067 -2.538 -10.578 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.318 -2.855 -10.677 1.00 0.00 H new ATOM 443 N VAL A 28 2.083 -6.472 -7.982 1.00 0.00 N ATOM 444 CA VAL A 28 1.977 -7.606 -7.072 1.00 0.00 C ATOM 445 C VAL A 28 0.520 -7.995 -6.846 1.00 0.00 C ATOM 446 O VAL A 28 0.209 -9.158 -6.588 1.00 0.00 O ATOM 447 CB VAL A 28 2.631 -7.298 -5.712 1.00 0.00 C ATOM 448 CG1 VAL A 28 1.830 -6.245 -4.961 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.764 -8.568 -4.885 1.00 0.00 C ATOM 0 H VAL A 28 2.712 -5.734 -7.665 1.00 0.00 H new ATOM 0 HA VAL A 28 2.504 -8.437 -7.540 1.00 0.00 H new ATOM 0 HB VAL A 28 3.631 -6.902 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.307 -6.040 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.791 -5.329 -5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.817 -6.611 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.228 -8.332 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.776 -8.996 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.383 -9.288 -5.420 1.00 0.00 H new ATOM 459 N VAL A 29 -0.371 -7.014 -6.946 1.00 0.00 N ATOM 460 CA VAL A 29 -1.797 -7.253 -6.755 1.00 0.00 C ATOM 461 C VAL A 29 -2.301 -8.348 -7.689 1.00 0.00 C ATOM 462 O VAL A 29 -3.064 -9.223 -7.282 1.00 0.00 O ATOM 463 CB VAL A 29 -2.618 -5.972 -6.993 1.00 0.00 C ATOM 464 CG1 VAL A 29 -2.395 -5.449 -8.404 1.00 0.00 C ATOM 465 CG2 VAL A 29 -4.095 -6.232 -6.739 1.00 0.00 C ATOM 0 H VAL A 29 -0.131 -6.046 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.928 -7.573 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.281 -5.209 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.983 -4.544 -8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.338 -5.223 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.704 -6.206 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.661 -5.316 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.449 -7.010 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.235 -6.556 -5.708 1.00 0.00 H new ATOM 475 N ASP A 30 -1.868 -8.292 -8.944 1.00 0.00 N ATOM 476 CA ASP A 30 -2.274 -9.279 -9.937 1.00 0.00 C ATOM 477 C ASP A 30 -1.601 -10.623 -9.674 1.00 0.00 C ATOM 478 O ASP A 30 -2.212 -11.679 -9.844 1.00 0.00 O ATOM 479 CB ASP A 30 -1.930 -8.790 -11.345 1.00 0.00 C ATOM 480 CG ASP A 30 -2.038 -9.889 -12.383 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.105 -10.533 -12.455 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.055 -10.106 -13.123 1.00 0.00 O ATOM 0 H ASP A 30 -1.236 -7.574 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.353 -9.412 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.598 -7.972 -11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.917 -8.389 -11.349 1.00 0.00 H new ATOM 487 N LEU A 31 -0.340 -10.576 -9.259 1.00 0.00 N ATOM 488 CA LEU A 31 0.417 -11.790 -8.973 1.00 0.00 C ATOM 489 C LEU A 31 -0.332 -12.678 -7.985 1.00 0.00 C ATOM 490 O LEU A 31 -0.421 -13.892 -8.169 1.00 0.00 O ATOM 491 CB LEU A 31 1.796 -11.435 -8.414 1.00 0.00 C ATOM 492 CG LEU A 31 2.897 -12.473 -8.633 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.565 -13.765 -7.902 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.095 -12.735 -10.119 1.00 0.00 C ATOM 0 H LEU A 31 0.180 -9.711 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 31 0.541 -12.340 -9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.117 -10.495 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.697 -11.260 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 31 3.828 -12.078 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.360 -14.492 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.474 -13.566 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.623 -14.164 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.882 -13.476 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.166 -13.109 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.379 -11.808 -10.617 1.00 0.00 H new ATOM 506 N VAL A 32 -0.871 -12.065 -6.936 1.00 0.00 N ATOM 507 CA VAL A 32 -1.616 -12.799 -5.921 1.00 0.00 C ATOM 508 C VAL A 32 -2.742 -13.614 -6.546 1.00 0.00 C ATOM 509 O VAL A 32 -2.988 -14.755 -6.155 1.00 0.00 O ATOM 510 CB VAL A 32 -2.210 -11.849 -4.864 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.027 -12.628 -3.845 1.00 0.00 C ATOM 512 CG2 VAL A 32 -1.107 -11.056 -4.181 1.00 0.00 C ATOM 0 H VAL A 32 -0.805 -11.061 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.910 -13.473 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.875 -11.145 -5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.439 -11.940 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.841 -13.147 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.388 -13.356 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.545 -10.390 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.415 -11.742 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.569 -10.467 -4.924 1.00 0.00 H new ATOM 522 N SER A 33 -3.424 -13.020 -7.521 1.00 0.00 N ATOM 523 CA SER A 33 -4.527 -13.690 -8.200 1.00 0.00 C ATOM 524 C SER A 33 -4.024 -14.484 -9.401 1.00 0.00 C ATOM 525 O SER A 33 -4.790 -15.189 -10.058 1.00 0.00 O ATOM 526 CB SER A 33 -5.571 -12.667 -8.652 1.00 0.00 C ATOM 527 OG SER A 33 -6.456 -13.229 -9.606 1.00 0.00 O ATOM 0 H SER A 33 -3.232 -12.077 -7.858 1.00 0.00 H new ATOM 0 HA SER A 33 -4.988 -14.383 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.137 -12.315 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.072 -11.799 -9.082 1.00 0.00 H new ATOM 0 HG SER A 33 -6.205 -14.161 -9.776 1.00 0.00 H new ATOM 533 N ALA A 34 -2.730 -14.365 -9.682 1.00 0.00 N ATOM 534 CA ALA A 34 -2.123 -15.072 -10.802 1.00 0.00 C ATOM 535 C ALA A 34 -1.761 -16.503 -10.417 1.00 0.00 C ATOM 536 O ALA A 34 -1.964 -16.918 -9.276 1.00 0.00 O ATOM 537 CB ALA A 34 -0.890 -14.327 -11.291 1.00 0.00 C ATOM 0 H ALA A 34 -2.082 -13.785 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.853 -15.115 -11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.447 -14.867 -12.128 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.174 -13.326 -11.615 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.164 -14.254 -10.481 1.00 0.00 H new ATOM 543 N ASP A 35 -1.225 -17.251 -11.374 1.00 0.00 N ATOM 544 CA ASP A 35 -0.834 -18.635 -11.135 1.00 0.00 C ATOM 545 C ASP A 35 0.671 -18.744 -10.912 1.00 0.00 C ATOM 546 O ASP A 35 1.376 -19.408 -11.673 1.00 0.00 O ATOM 547 CB ASP A 35 -1.253 -19.517 -12.312 1.00 0.00 C ATOM 548 CG ASP A 35 -2.752 -19.737 -12.366 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.285 -20.422 -11.467 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.393 -19.224 -13.307 1.00 0.00 O ATOM 0 H ASP A 35 -1.051 -16.922 -12.324 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.342 -18.979 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.923 -19.056 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.750 -20.481 -12.237 1.00 0.00 H new ATOM 555 N LEU A 36 1.158 -18.087 -9.865 1.00 0.00 N ATOM 556 CA LEU A 36 2.580 -18.109 -9.542 1.00 0.00 C ATOM 557 C LEU A 36 3.061 -19.536 -9.295 1.00 0.00 C ATOM 558 O LEU A 36 4.187 -19.890 -9.643 1.00 0.00 O ATOM 559 CB LEU A 36 2.857 -17.246 -8.310 1.00 0.00 C ATOM 560 CG LEU A 36 4.255 -16.635 -8.219 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.307 -17.725 -8.088 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.537 -15.763 -9.434 1.00 0.00 C ATOM 0 H LEU A 36 0.589 -17.533 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 36 3.126 -17.703 -10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.127 -16.437 -8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.689 -17.853 -7.421 1.00 0.00 H new ATOM 0 HG LEU A 36 4.298 -16.008 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.296 -17.271 -8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.117 -18.308 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.264 -18.379 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.537 -15.337 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.474 -16.368 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.803 -14.959 -9.483 1.00 0.00 H new ATOM 574 N GLU A 37 2.198 -20.350 -8.695 1.00 0.00 N ATOM 575 CA GLU A 37 2.535 -21.738 -8.404 1.00 0.00 C ATOM 576 C GLU A 37 2.926 -22.482 -9.678 1.00 0.00 C ATOM 577 O GLU A 37 3.912 -23.218 -9.701 1.00 0.00 O ATOM 578 CB GLU A 37 1.355 -22.443 -7.731 1.00 0.00 C ATOM 579 CG GLU A 37 0.057 -22.340 -8.514 1.00 0.00 C ATOM 580 CD GLU A 37 -1.161 -22.655 -7.669 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.498 -23.850 -7.537 1.00 0.00 O ATOM 582 OE2 GLU A 37 -1.778 -21.707 -7.139 1.00 0.00 O ATOM 0 H GLU A 37 1.261 -20.072 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 37 3.387 -21.743 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.603 -23.495 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.206 -22.017 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.038 -21.333 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.093 -23.024 -9.362 1.00 0.00 H new ATOM 589 N GLU A 38 2.144 -22.284 -10.735 1.00 0.00 N ATOM 590 CA GLU A 38 2.408 -22.937 -12.012 1.00 0.00 C ATOM 591 C GLU A 38 3.587 -22.282 -12.725 1.00 0.00 C ATOM 592 O GLU A 38 4.490 -22.963 -13.211 1.00 0.00 O ATOM 593 CB GLU A 38 1.166 -22.884 -12.903 1.00 0.00 C ATOM 594 CG GLU A 38 1.191 -23.888 -14.044 1.00 0.00 C ATOM 595 CD GLU A 38 0.068 -23.669 -15.039 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.075 -22.624 -15.721 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.817 -24.545 -15.134 1.00 0.00 O ATOM 0 H GLU A 38 1.324 -21.678 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 38 2.660 -23.979 -11.813 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.282 -23.064 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.068 -21.880 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.148 -23.820 -14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.119 -24.897 -13.637 1.00 0.00 H new ATOM 604 N VAL A 39 3.572 -20.954 -12.783 1.00 0.00 N ATOM 605 CA VAL A 39 4.639 -20.205 -13.436 1.00 0.00 C ATOM 606 C VAL A 39 5.997 -20.544 -12.832 1.00 0.00 C ATOM 607 O VAL A 39 6.990 -20.678 -13.547 1.00 0.00 O ATOM 608 CB VAL A 39 4.407 -18.686 -13.328 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.538 -17.923 -14.000 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.064 -18.309 -13.934 1.00 0.00 C ATOM 0 H VAL A 39 2.832 -20.375 -12.386 1.00 0.00 H new ATOM 0 HA VAL A 39 4.629 -20.493 -14.487 1.00 0.00 H new ATOM 0 HB VAL A 39 4.394 -18.412 -12.273 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.356 -16.852 -13.913 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.482 -18.171 -13.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.587 -18.198 -15.053 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.916 -17.232 -13.849 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.046 -18.596 -14.985 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.266 -18.828 -13.402 1.00 0.00 H new ATOM 620 N ALA A 40 6.033 -20.682 -11.511 1.00 0.00 N ATOM 621 CA ALA A 40 7.269 -21.009 -10.810 1.00 0.00 C ATOM 622 C ALA A 40 7.778 -22.390 -11.209 1.00 0.00 C ATOM 623 O ALA A 40 8.985 -22.612 -11.303 1.00 0.00 O ATOM 624 CB ALA A 40 7.057 -20.937 -9.305 1.00 0.00 C ATOM 0 H ALA A 40 5.220 -20.572 -10.904 1.00 0.00 H new ATOM 0 HA ALA A 40 8.024 -20.276 -11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.988 -21.183 -8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.748 -19.929 -9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.284 -21.647 -9.012 1.00 0.00 H new ATOM 630 N GLN A 41 6.851 -23.313 -11.442 1.00 0.00 N ATOM 631 CA GLN A 41 7.207 -24.672 -11.830 1.00 0.00 C ATOM 632 C GLN A 41 7.886 -24.689 -13.195 1.00 0.00 C ATOM 633 O GLN A 41 8.963 -25.263 -13.358 1.00 0.00 O ATOM 634 CB GLN A 41 5.962 -25.561 -11.855 1.00 0.00 C ATOM 635 CG GLN A 41 5.512 -26.017 -10.477 1.00 0.00 C ATOM 636 CD GLN A 41 6.367 -27.141 -9.926 1.00 0.00 C ATOM 637 OE1 GLN A 41 7.400 -26.901 -9.300 1.00 0.00 O ATOM 638 NE2 GLN A 41 5.941 -28.378 -10.156 1.00 0.00 N ATOM 0 H GLN A 41 5.848 -23.144 -11.369 1.00 0.00 H new ATOM 0 HA GLN A 41 7.908 -25.061 -11.092 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.147 -25.017 -12.333 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.164 -26.438 -12.471 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.544 -25.171 -9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.474 -26.347 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.079 -28.532 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.476 -29.174 -9.809 1.00 0.00 H new ATOM 647 N LYS A 42 7.249 -24.056 -14.175 1.00 0.00 N ATOM 648 CA LYS A 42 7.791 -23.996 -15.527 1.00 0.00 C ATOM 649 C LYS A 42 9.043 -23.126 -15.574 1.00 0.00 C ATOM 650 O LYS A 42 10.028 -23.474 -16.226 1.00 0.00 O ATOM 651 CB LYS A 42 6.740 -23.449 -16.496 1.00 0.00 C ATOM 652 CG LYS A 42 6.213 -22.078 -16.110 1.00 0.00 C ATOM 653 CD LYS A 42 5.086 -21.636 -17.028 1.00 0.00 C ATOM 654 CE LYS A 42 3.838 -22.482 -16.827 1.00 0.00 C ATOM 655 NZ LYS A 42 2.634 -21.849 -17.432 1.00 0.00 N ATOM 0 H LYS A 42 6.356 -23.577 -14.057 1.00 0.00 H new ATOM 0 HA LYS A 42 8.062 -25.008 -15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.172 -23.395 -17.495 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.906 -24.149 -16.547 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.857 -22.101 -15.080 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.024 -21.351 -16.151 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.851 -20.589 -16.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.412 -21.707 -18.066 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.992 -23.466 -17.270 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.671 -22.634 -15.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.793 -22.095 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.753 -20.816 -17.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.513 -22.193 -18.406 1.00 0.00 H new ATOM 669 N CYS A 43 8.998 -21.996 -14.877 1.00 0.00 N ATOM 670 CA CYS A 43 10.130 -21.076 -14.839 1.00 0.00 C ATOM 671 C CYS A 43 11.301 -21.687 -14.076 1.00 0.00 C ATOM 672 O CYS A 43 12.456 -21.326 -14.298 1.00 0.00 O ATOM 673 CB CYS A 43 9.717 -19.754 -14.192 1.00 0.00 C ATOM 674 SG CYS A 43 8.685 -18.707 -15.245 1.00 0.00 S ATOM 0 H CYS A 43 8.191 -21.695 -14.331 1.00 0.00 H new ATOM 0 HA CYS A 43 10.448 -20.886 -15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.177 -19.967 -13.269 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.615 -19.201 -13.916 1.00 0.00 H new ATOM 0 HG CYS A 43 8.386 -17.613 -14.609 1.00 0.00 H new ATOM 680 N GLY A 44 10.993 -22.613 -13.173 1.00 0.00 N ATOM 681 CA GLY A 44 12.030 -23.258 -12.388 1.00 0.00 C ATOM 682 C GLY A 44 12.387 -22.472 -11.142 1.00 0.00 C ATOM 683 O GLY A 44 13.474 -22.636 -10.586 1.00 0.00 O ATOM 0 H GLY A 44 10.044 -22.928 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.697 -24.256 -12.102 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.921 -23.384 -13.003 1.00 0.00 H new ATOM 687 N LEU A 45 11.472 -21.615 -10.703 1.00 0.00 N ATOM 688 CA LEU A 45 11.697 -20.799 -9.515 1.00 0.00 C ATOM 689 C LEU A 45 11.176 -21.501 -8.265 1.00 0.00 C ATOM 690 O LEU A 45 10.542 -22.553 -8.351 1.00 0.00 O ATOM 691 CB LEU A 45 11.014 -19.438 -9.670 1.00 0.00 C ATOM 692 CG LEU A 45 11.069 -18.816 -11.066 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.140 -17.615 -11.151 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.495 -18.415 -11.416 1.00 0.00 C ATOM 0 H LEU A 45 10.568 -21.467 -11.151 1.00 0.00 H new ATOM 0 HA LEU A 45 12.771 -20.650 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.968 -19.544 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.470 -18.742 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 45 10.735 -19.561 -11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.192 -17.185 -12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.117 -17.931 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.444 -16.867 -10.418 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.515 -17.974 -12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.857 -17.687 -10.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.136 -19.296 -11.396 1.00 0.00 H new ATOM 706 N SER A 46 11.447 -20.912 -7.105 1.00 0.00 N ATOM 707 CA SER A 46 11.007 -21.483 -5.837 1.00 0.00 C ATOM 708 C SER A 46 9.832 -20.694 -5.265 1.00 0.00 C ATOM 709 O SER A 46 9.999 -19.575 -4.780 1.00 0.00 O ATOM 710 CB SER A 46 12.162 -21.499 -4.833 1.00 0.00 C ATOM 711 OG SER A 46 13.246 -22.272 -5.317 1.00 0.00 O ATOM 0 H SER A 46 11.969 -20.040 -7.017 1.00 0.00 H new ATOM 0 HA SER A 46 10.680 -22.506 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.495 -20.479 -4.641 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.817 -21.906 -3.883 1.00 0.00 H new ATOM 0 HG SER A 46 13.972 -22.266 -4.659 1.00 0.00 H new ATOM 717 N TYR A 47 8.645 -21.287 -5.325 1.00 0.00 N ATOM 718 CA TYR A 47 7.441 -20.641 -4.816 1.00 0.00 C ATOM 719 C TYR A 47 7.546 -20.400 -3.313 1.00 0.00 C ATOM 720 O TYR A 47 6.918 -19.490 -2.773 1.00 0.00 O ATOM 721 CB TYR A 47 6.210 -21.495 -5.122 1.00 0.00 C ATOM 722 CG TYR A 47 4.943 -20.985 -4.475 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.185 -19.988 -5.076 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.503 -21.501 -3.262 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.027 -19.518 -4.487 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.345 -21.038 -2.667 1.00 0.00 C ATOM 727 CZ TYR A 47 2.611 -20.046 -3.283 1.00 0.00 C ATOM 728 OH TYR A 47 1.457 -19.582 -2.694 1.00 0.00 O ATOM 0 H TYR A 47 8.491 -22.214 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 47 7.339 -19.677 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.066 -21.536 -6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.394 -22.516 -4.786 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.506 -19.573 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.076 -22.277 -2.776 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.451 -18.741 -4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.016 -21.451 -1.725 1.00 0.00 H new ATOM 0 HH TYR A 47 1.305 -20.059 -1.851 1.00 0.00 H new ATOM 738 N LYS A 48 8.346 -21.223 -2.644 1.00 0.00 N ATOM 739 CA LYS A 48 8.537 -21.101 -1.203 1.00 0.00 C ATOM 740 C LYS A 48 9.039 -19.708 -0.837 1.00 0.00 C ATOM 741 O LYS A 48 8.654 -19.150 0.190 1.00 0.00 O ATOM 742 CB LYS A 48 9.528 -22.157 -0.708 1.00 0.00 C ATOM 743 CG LYS A 48 8.989 -23.576 -0.778 1.00 0.00 C ATOM 744 CD LYS A 48 9.878 -24.547 -0.019 1.00 0.00 C ATOM 745 CE LYS A 48 11.236 -24.698 -0.686 1.00 0.00 C ATOM 746 NZ LYS A 48 12.208 -23.679 -0.202 1.00 0.00 N ATOM 0 H LYS A 48 8.873 -21.982 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 48 7.573 -21.260 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.440 -22.094 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.802 -21.932 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.981 -23.604 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.915 -23.887 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.011 -24.196 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.390 -25.520 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.628 -25.696 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.122 -24.607 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.520 -23.090 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.753 -23.078 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.031 -24.156 0.218 1.00 0.00 H new ATOM 760 N ALA A 49 9.897 -19.151 -1.685 1.00 0.00 N ATOM 761 CA ALA A 49 10.447 -17.821 -1.452 1.00 0.00 C ATOM 762 C ALA A 49 9.396 -16.743 -1.688 1.00 0.00 C ATOM 763 O ALA A 49 9.421 -15.687 -1.053 1.00 0.00 O ATOM 764 CB ALA A 49 11.656 -17.587 -2.346 1.00 0.00 C ATOM 0 H ALA A 49 10.226 -19.600 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 49 10.762 -17.762 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.057 -16.590 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.421 -18.332 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.357 -17.671 -3.391 1.00 0.00 H new ATOM 770 N LEU A 50 8.472 -17.014 -2.603 1.00 0.00 N ATOM 771 CA LEU A 50 7.411 -16.065 -2.923 1.00 0.00 C ATOM 772 C LEU A 50 6.367 -16.021 -1.812 1.00 0.00 C ATOM 773 O LEU A 50 5.996 -14.948 -1.336 1.00 0.00 O ATOM 774 CB LEU A 50 6.746 -16.442 -4.248 1.00 0.00 C ATOM 775 CG LEU A 50 6.148 -15.286 -5.052 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.020 -14.624 -4.276 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.224 -14.269 -5.404 1.00 0.00 C ATOM 0 H LEU A 50 8.436 -17.883 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 50 7.858 -15.075 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.484 -16.948 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.955 -17.163 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 50 5.738 -15.687 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.607 -13.804 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.238 -15.356 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.406 -14.236 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.781 -13.454 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.664 -13.873 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.999 -14.751 -6.000 1.00 0.00 H new ATOM 789 N VAL A 51 5.898 -17.195 -1.400 1.00 0.00 N ATOM 790 CA VAL A 51 4.899 -17.291 -0.342 1.00 0.00 C ATOM 791 C VAL A 51 5.392 -16.630 0.940 1.00 0.00 C ATOM 792 O VAL A 51 4.619 -16.003 1.664 1.00 0.00 O ATOM 793 CB VAL A 51 4.537 -18.758 -0.044 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.786 -19.559 0.293 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.522 -18.837 1.087 1.00 0.00 C ATOM 0 H VAL A 51 6.194 -18.093 -1.783 1.00 0.00 H new ATOM 0 HA VAL A 51 4.010 -16.770 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 51 4.087 -19.191 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.510 -20.593 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.476 -19.530 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.268 -19.129 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.278 -19.881 1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.943 -18.387 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.617 -18.300 0.802 1.00 0.00 H new ATOM 805 N ALA A 52 6.684 -16.774 1.215 1.00 0.00 N ATOM 806 CA ALA A 52 7.281 -16.189 2.409 1.00 0.00 C ATOM 807 C ALA A 52 7.054 -14.682 2.454 1.00 0.00 C ATOM 808 O ALA A 52 6.668 -14.132 3.486 1.00 0.00 O ATOM 809 CB ALA A 52 8.769 -16.502 2.463 1.00 0.00 C ATOM 0 H ALA A 52 7.338 -17.291 0.627 1.00 0.00 H new ATOM 0 HA ALA A 52 6.796 -16.630 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.202 -16.059 3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.913 -17.582 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.260 -16.089 1.582 1.00 0.00 H new ATOM 815 N LEU A 53 7.296 -14.018 1.329 1.00 0.00 N ATOM 816 CA LEU A 53 7.118 -12.573 1.240 1.00 0.00 C ATOM 817 C LEU A 53 5.662 -12.188 1.478 1.00 0.00 C ATOM 818 O LEU A 53 5.372 -11.229 2.194 1.00 0.00 O ATOM 819 CB LEU A 53 7.574 -12.067 -0.130 1.00 0.00 C ATOM 820 CG LEU A 53 9.056 -11.713 -0.256 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.343 -10.372 0.402 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.919 -12.806 0.358 1.00 0.00 C ATOM 0 H LEU A 53 7.616 -14.457 0.466 1.00 0.00 H new ATOM 0 HA LEU A 53 7.728 -12.108 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.339 -12.829 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.987 -11.184 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 53 9.302 -11.635 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.403 -10.137 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.752 -9.595 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.080 -10.422 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.971 -12.538 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.670 -12.916 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.735 -13.748 -0.159 1.00 0.00 H new ATOM 834 N ARG A 54 4.749 -12.942 0.875 1.00 0.00 N ATOM 835 CA ARG A 54 3.323 -12.681 1.023 1.00 0.00 C ATOM 836 C ARG A 54 2.893 -12.814 2.481 1.00 0.00 C ATOM 837 O ARG A 54 2.165 -11.970 3.003 1.00 0.00 O ATOM 838 CB ARG A 54 2.513 -13.643 0.151 1.00 0.00 C ATOM 839 CG ARG A 54 1.690 -12.947 -0.921 1.00 0.00 C ATOM 840 CD ARG A 54 1.487 -13.841 -2.134 1.00 0.00 C ATOM 841 NE ARG A 54 0.079 -14.169 -2.343 1.00 0.00 N ATOM 842 CZ ARG A 54 -0.568 -15.102 -1.654 1.00 0.00 C ATOM 843 NH1 ARG A 54 0.062 -15.795 -0.716 1.00 0.00 N ATOM 844 NH2 ARG A 54 -1.849 -15.342 -1.902 1.00 0.00 N ATOM 0 H ARG A 54 4.972 -13.739 0.279 1.00 0.00 H new ATOM 0 HA ARG A 54 3.132 -11.658 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.194 -14.348 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.847 -14.224 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.721 -12.663 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.189 -12.027 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.879 -13.343 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.058 -14.760 -2.006 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.435 -13.653 -3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.047 -15.612 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.438 -16.511 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.337 -14.810 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.345 -16.059 -1.373 1.00 0.00 H new ATOM 858 N ARG A 55 3.349 -13.879 3.131 1.00 0.00 N ATOM 859 CA ARG A 55 3.011 -14.124 4.528 1.00 0.00 C ATOM 860 C ARG A 55 3.448 -12.955 5.406 1.00 0.00 C ATOM 861 O ARG A 55 2.745 -12.570 6.340 1.00 0.00 O ATOM 862 CB ARG A 55 3.670 -15.416 5.016 1.00 0.00 C ATOM 863 CG ARG A 55 3.402 -15.721 6.480 1.00 0.00 C ATOM 864 CD ARG A 55 3.953 -17.082 6.876 1.00 0.00 C ATOM 865 NE ARG A 55 4.265 -17.153 8.301 1.00 0.00 N ATOM 866 CZ ARG A 55 5.031 -18.096 8.839 1.00 0.00 C ATOM 867 NH1 ARG A 55 5.560 -19.041 8.075 1.00 0.00 N ATOM 868 NH2 ARG A 55 5.269 -18.093 10.145 1.00 0.00 N ATOM 0 H ARG A 55 3.954 -14.586 2.713 1.00 0.00 H new ATOM 0 HA ARG A 55 1.928 -14.227 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.313 -16.248 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.746 -15.346 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.855 -14.949 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.329 -15.693 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.226 -17.854 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.853 -17.291 6.297 1.00 0.00 H new ATOM 0 HE ARG A 55 3.874 -16.440 8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.380 -19.046 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.148 -19.764 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.864 -17.367 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.857 -18.817 10.558 1.00 0.00 H new ATOM 882 N VAL A 56 4.614 -12.396 5.100 1.00 0.00 N ATOM 883 CA VAL A 56 5.146 -11.271 5.861 1.00 0.00 C ATOM 884 C VAL A 56 4.315 -10.013 5.634 1.00 0.00 C ATOM 885 O VAL A 56 4.071 -9.240 6.562 1.00 0.00 O ATOM 886 CB VAL A 56 6.610 -10.980 5.484 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.134 -9.781 6.261 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.477 -12.206 5.731 1.00 0.00 C ATOM 0 H VAL A 56 5.209 -12.703 4.330 1.00 0.00 H new ATOM 0 HA VAL A 56 5.099 -11.550 6.914 1.00 0.00 H new ATOM 0 HB VAL A 56 6.653 -10.741 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.170 -9.591 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.529 -8.905 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.079 -9.988 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.509 -11.983 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.430 -12.478 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.114 -13.036 5.126 1.00 0.00 H new ATOM 898 N LEU A 57 3.881 -9.813 4.395 1.00 0.00 N ATOM 899 CA LEU A 57 3.076 -8.648 4.045 1.00 0.00 C ATOM 900 C LEU A 57 1.729 -8.681 4.760 1.00 0.00 C ATOM 901 O LEU A 57 1.298 -7.685 5.341 1.00 0.00 O ATOM 902 CB LEU A 57 2.860 -8.588 2.531 1.00 0.00 C ATOM 903 CG LEU A 57 3.975 -7.926 1.720 1.00 0.00 C ATOM 904 CD1 LEU A 57 3.879 -8.326 0.256 1.00 0.00 C ATOM 905 CD2 LEU A 57 3.914 -6.413 1.866 1.00 0.00 C ATOM 0 H LEU A 57 4.073 -10.442 3.616 1.00 0.00 H new ATOM 0 HA LEU A 57 3.615 -7.756 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.725 -9.605 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.930 -8.053 2.338 1.00 0.00 H new ATOM 0 HG LEU A 57 4.934 -8.270 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.680 -7.846 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.972 -9.408 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.916 -8.011 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.715 -5.959 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.951 -6.051 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.032 -6.144 2.916 1.00 0.00 H new ATOM 917 N LEU A 58 1.071 -9.834 4.717 1.00 0.00 N ATOM 918 CA LEU A 58 -0.226 -9.999 5.364 1.00 0.00 C ATOM 919 C LEU A 58 -0.077 -10.042 6.881 1.00 0.00 C ATOM 920 O LEU A 58 -0.948 -9.575 7.614 1.00 0.00 O ATOM 921 CB LEU A 58 -0.905 -11.279 4.871 1.00 0.00 C ATOM 922 CG LEU A 58 -0.099 -12.569 5.026 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.312 -13.168 6.407 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.480 -13.569 3.944 1.00 0.00 C ATOM 0 H LEU A 58 1.414 -10.668 4.241 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.846 -9.141 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.847 -11.396 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.152 -11.153 3.817 1.00 0.00 H new ATOM 0 HG LEU A 58 0.959 -12.330 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.269 -14.085 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.011 -12.456 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.369 -13.393 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.103 -14.481 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.542 -13.804 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.275 -13.140 2.963 1.00 0.00 H new ATOM 936 N ALA A 59 1.035 -10.603 7.345 1.00 0.00 N ATOM 937 CA ALA A 59 1.300 -10.703 8.775 1.00 0.00 C ATOM 938 C ALA A 59 1.292 -9.327 9.432 1.00 0.00 C ATOM 939 O ALA A 59 0.733 -9.150 10.514 1.00 0.00 O ATOM 940 CB ALA A 59 2.632 -11.397 9.017 1.00 0.00 C ATOM 0 H ALA A 59 1.766 -10.995 6.752 1.00 0.00 H new ATOM 0 HA ALA A 59 0.505 -11.297 9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.817 -11.465 10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.603 -12.399 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.431 -10.825 8.546 1.00 0.00 H new ATOM 946 N GLN A 60 1.916 -8.357 8.771 1.00 0.00 N ATOM 947 CA GLN A 60 1.980 -6.997 9.293 1.00 0.00 C ATOM 948 C GLN A 60 0.584 -6.400 9.432 1.00 0.00 C ATOM 949 O GLN A 60 0.296 -5.686 10.393 1.00 0.00 O ATOM 950 CB GLN A 60 2.835 -6.117 8.378 1.00 0.00 C ATOM 951 CG GLN A 60 4.283 -6.569 8.279 1.00 0.00 C ATOM 952 CD GLN A 60 5.140 -6.033 9.408 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.632 -5.450 10.366 1.00 0.00 O ATOM 954 NE2 GLN A 60 6.449 -6.227 9.301 1.00 0.00 N ATOM 0 H GLN A 60 2.384 -8.488 7.874 1.00 0.00 H new ATOM 0 HA GLN A 60 2.438 -7.036 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.396 -6.110 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.808 -5.091 8.745 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.321 -7.658 8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.698 -6.241 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.828 -6.716 8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.076 -5.888 10.030 1.00 0.00 H new ATOM 963 N PHE A 61 -0.280 -6.698 8.468 1.00 0.00 N ATOM 964 CA PHE A 61 -1.647 -6.190 8.482 1.00 0.00 C ATOM 965 C PHE A 61 -2.479 -6.896 9.549 1.00 0.00 C ATOM 966 O PHE A 61 -3.409 -6.317 10.110 1.00 0.00 O ATOM 967 CB PHE A 61 -2.297 -6.373 7.109 1.00 0.00 C ATOM 968 CG PHE A 61 -3.370 -5.364 6.814 1.00 0.00 C ATOM 969 CD1 PHE A 61 -4.675 -5.582 7.222 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.072 -4.198 6.128 1.00 0.00 C ATOM 971 CE1 PHE A 61 -5.664 -4.656 6.951 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.057 -3.267 5.854 1.00 0.00 C ATOM 973 CZ PHE A 61 -5.355 -3.496 6.267 1.00 0.00 C ATOM 0 H PHE A 61 -0.058 -7.289 7.667 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.610 -5.127 8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.527 -6.308 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.724 -7.374 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.923 -6.486 7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.059 -4.014 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.678 -4.839 7.274 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.812 -2.362 5.318 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.126 -2.770 6.056 1.00 0.00 H new