USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 381 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 22 THR OG1 : rot 113:sc= 0.994 USER MOD Set 1.2: A 24 CYS SG : rot 120:sc= 2.19 USER MOD Set 1.3: A 26 HIS : no HD1:sc= -0.41 K(o=1.3,f=0.036) USER MOD Set 1.4: A 44 CYS SG : rot 94:sc= -1.42! USER MOD Set 2.1: A 9 CYS SG : rot -160:sc= 1.77 USER MOD Set 2.2: A 12 CYS SG : rot -66:sc= -2.16! USER MOD Set 2.3: A 29 CYS SG : rot 77:sc= 0.9 USER MOD Set 2.4: A 32 CYS SG : rot 129:sc= -1.91! USER MOD Single : A 14 MET CE :methyl -109:sc= -0.169 (180deg=-1.75) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.465 (180deg=-2.08!) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0367 (180deg=-1.2!) USER MOD Single : A 36 SER OG : rot 71:sc= 0.79 USER MOD Single : A 42 HIS : no HD1:sc= 1.06 K(o=1.1,f=-5.5!) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0256) USER MOD Single : A 48 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.42) USER MOD Single : A 54 ASN : amide:sc= -1.68! K(o=-1.7!,f=-0.12) USER MOD Single : A 55 GLN : amide:sc= -0.184 K(o=-0.18,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 14.135 -19.275 -15.661 1.00 0.00 N ATOM 105 CA GLU A 8 12.854 -19.840 -16.018 1.00 0.00 C ATOM 106 C GLU A 8 11.917 -18.760 -16.573 1.00 0.00 C ATOM 107 O GLU A 8 11.878 -17.637 -16.065 1.00 0.00 O ATOM 108 CB GLU A 8 12.238 -20.517 -14.800 1.00 0.00 C ATOM 109 CG GLU A 8 10.914 -21.210 -15.057 1.00 0.00 C ATOM 110 CD GLU A 8 10.371 -21.855 -13.814 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.801 -21.138 -12.968 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.517 -23.088 -13.667 1.00 0.00 O ATOM 0 HA GLU A 8 13.001 -20.584 -16.801 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.946 -21.250 -14.413 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.095 -19.769 -14.020 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.192 -20.486 -15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.044 -21.966 -15.832 1.00 0.00 H new ATOM 119 N CYS A 9 11.182 -19.109 -17.624 1.00 0.00 N ATOM 120 CA CYS A 9 10.208 -18.215 -18.234 1.00 0.00 C ATOM 121 C CYS A 9 8.838 -18.479 -17.626 1.00 0.00 C ATOM 122 O CYS A 9 8.256 -19.540 -17.849 1.00 0.00 O ATOM 123 CB CYS A 9 10.166 -18.473 -19.746 1.00 0.00 C ATOM 124 SG CYS A 9 9.037 -17.402 -20.708 1.00 0.00 S ATOM 0 H CYS A 9 11.246 -20.021 -18.076 1.00 0.00 H new ATOM 0 HA CYS A 9 10.489 -17.177 -18.053 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.174 -18.355 -20.143 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.878 -19.511 -19.910 1.00 0.00 H new ATOM 0 HG CYS A 9 8.776 -17.963 -21.851 1.00 0.00 H new ATOM 129 N PRO A 10 8.302 -17.535 -16.847 1.00 0.00 N ATOM 130 CA PRO A 10 7.035 -17.733 -16.125 1.00 0.00 C ATOM 131 C PRO A 10 5.810 -17.852 -17.048 1.00 0.00 C ATOM 132 O PRO A 10 4.759 -18.334 -16.625 1.00 0.00 O ATOM 133 CB PRO A 10 6.924 -16.476 -15.259 1.00 0.00 C ATOM 134 CG PRO A 10 7.732 -15.454 -15.980 1.00 0.00 C ATOM 135 CD PRO A 10 8.875 -16.202 -16.601 1.00 0.00 C ATOM 0 HA PRO A 10 7.043 -18.669 -15.566 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.887 -16.158 -15.151 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.310 -16.651 -14.255 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.136 -14.949 -16.740 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.093 -14.686 -15.296 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.212 -15.731 -17.524 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.736 -16.249 -15.935 1.00 0.00 H new ATOM 143 N ILE A 11 5.930 -17.382 -18.287 1.00 0.00 N ATOM 144 CA ILE A 11 4.847 -17.520 -19.256 1.00 0.00 C ATOM 145 C ILE A 11 4.621 -18.979 -19.672 1.00 0.00 C ATOM 146 O ILE A 11 3.481 -19.458 -19.726 1.00 0.00 O ATOM 147 CB ILE A 11 5.042 -16.615 -20.504 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.925 -15.143 -20.103 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.023 -16.951 -21.601 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.263 -14.169 -21.210 1.00 0.00 C ATOM 0 H ILE A 11 6.759 -16.906 -18.642 1.00 0.00 H new ATOM 0 HA ILE A 11 3.948 -17.178 -18.743 1.00 0.00 H new ATOM 0 HB ILE A 11 6.038 -16.800 -20.907 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.907 -14.951 -19.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.585 -14.956 -19.256 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.186 -16.301 -22.460 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.145 -17.991 -21.905 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.014 -16.801 -21.218 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.155 -13.149 -20.842 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.291 -14.330 -21.535 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.587 -14.325 -22.051 1.00 0.00 H new ATOM 162 N CYS A 12 5.710 -19.686 -19.947 1.00 0.00 N ATOM 163 CA CYS A 12 5.622 -21.043 -20.465 1.00 0.00 C ATOM 164 C CYS A 12 5.928 -22.084 -19.395 1.00 0.00 C ATOM 165 O CYS A 12 5.536 -23.248 -19.523 1.00 0.00 O ATOM 166 CB CYS A 12 6.581 -21.210 -21.647 1.00 0.00 C ATOM 167 SG CYS A 12 8.328 -20.831 -21.263 1.00 0.00 S ATOM 0 H CYS A 12 6.662 -19.342 -19.820 1.00 0.00 H new ATOM 0 HA CYS A 12 4.596 -21.205 -20.796 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.516 -22.236 -22.010 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.252 -20.563 -22.460 1.00 0.00 H new ATOM 0 HG CYS A 12 8.449 -19.564 -20.999 1.00 0.00 H new ATOM 172 N LEU A 13 6.634 -21.648 -18.352 1.00 0.00 N ATOM 173 CA LEU A 13 7.122 -22.506 -17.265 1.00 0.00 C ATOM 174 C LEU A 13 8.155 -23.501 -17.788 1.00 0.00 C ATOM 175 O LEU A 13 8.425 -24.524 -17.156 1.00 0.00 O ATOM 176 CB LEU A 13 5.978 -23.259 -16.538 1.00 0.00 C ATOM 177 CG LEU A 13 5.072 -22.445 -15.596 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.151 -21.511 -16.359 1.00 0.00 C ATOM 179 CD2 LEU A 13 4.274 -23.372 -14.691 1.00 0.00 C ATOM 0 H LEU A 13 6.890 -20.668 -18.234 1.00 0.00 H new ATOM 0 HA LEU A 13 7.591 -21.847 -16.534 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.345 -23.721 -17.296 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.424 -24.068 -15.959 1.00 0.00 H new ATOM 0 HG LEU A 13 5.719 -21.823 -14.977 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.530 -20.957 -15.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.747 -20.812 -16.946 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.514 -22.093 -17.025 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.639 -22.780 -14.032 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.652 -24.028 -15.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.958 -23.973 -14.092 1.00 0.00 H new ATOM 191 N MET A 14 8.757 -23.186 -18.922 1.00 0.00 N ATOM 192 CA MET A 14 9.767 -24.055 -19.505 1.00 0.00 C ATOM 193 C MET A 14 11.155 -23.593 -19.092 1.00 0.00 C ATOM 194 O MET A 14 11.778 -24.184 -18.210 1.00 0.00 O ATOM 195 CB MET A 14 9.664 -24.066 -21.040 1.00 0.00 C ATOM 196 CG MET A 14 8.367 -24.635 -21.633 1.00 0.00 C ATOM 197 SD MET A 14 8.115 -26.402 -21.311 1.00 0.00 S ATOM 198 CE MET A 14 7.204 -26.368 -19.764 1.00 0.00 C ATOM 0 H MET A 14 8.566 -22.338 -19.456 1.00 0.00 H new ATOM 0 HA MET A 14 9.595 -25.067 -19.137 1.00 0.00 H new ATOM 0 HB2 MET A 14 9.783 -23.043 -21.398 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.501 -24.642 -21.435 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.521 -24.079 -21.228 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.370 -24.470 -22.710 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.844 -26.725 -18.957 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.886 -25.347 -19.551 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.328 -27.011 -19.844 1.00 0.00 H new ATOM 208 N ALA A 15 11.606 -22.510 -19.713 1.00 0.00 N ATOM 209 CA ALA A 15 12.920 -21.912 -19.489 1.00 0.00 C ATOM 210 C ALA A 15 13.031 -20.692 -20.376 1.00 0.00 C ATOM 211 O ALA A 15 12.250 -20.559 -21.311 1.00 0.00 O ATOM 212 CB ALA A 15 14.037 -22.899 -19.835 1.00 0.00 C ATOM 0 H ALA A 15 11.053 -22.007 -20.407 1.00 0.00 H new ATOM 0 HA ALA A 15 13.025 -21.642 -18.438 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.005 -22.429 -19.660 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.945 -23.786 -19.209 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.958 -23.185 -20.884 1.00 0.00 H new ATOM 218 N LEU A 16 13.971 -19.806 -20.091 1.00 0.00 N ATOM 219 CA LEU A 16 14.192 -18.656 -20.946 1.00 0.00 C ATOM 220 C LEU A 16 15.007 -19.096 -22.141 1.00 0.00 C ATOM 221 O LEU A 16 16.217 -19.312 -22.029 1.00 0.00 O ATOM 222 CB LEU A 16 14.979 -17.570 -20.200 1.00 0.00 C ATOM 223 CG LEU A 16 14.340 -16.985 -18.943 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.294 -16.000 -18.289 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.046 -16.290 -19.289 1.00 0.00 C ATOM 0 H LEU A 16 14.588 -19.861 -19.281 1.00 0.00 H new ATOM 0 HA LEU A 16 13.227 -18.252 -21.252 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.949 -17.985 -19.924 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.168 -16.752 -20.895 1.00 0.00 H new ATOM 0 HG LEU A 16 14.129 -17.797 -18.247 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.832 -15.586 -17.393 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.217 -16.513 -18.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.519 -15.193 -18.987 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.601 -15.878 -18.383 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.244 -15.484 -19.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.357 -17.006 -19.738 1.00 0.00 H new ATOM 237 N ARG A 17 14.354 -19.251 -23.272 1.00 0.00 N ATOM 238 CA ARG A 17 15.048 -19.670 -24.467 1.00 0.00 C ATOM 239 C ARG A 17 15.947 -18.567 -25.011 1.00 0.00 C ATOM 240 O ARG A 17 17.094 -18.808 -25.363 1.00 0.00 O ATOM 241 CB ARG A 17 14.062 -20.154 -25.537 1.00 0.00 C ATOM 242 CG ARG A 17 14.732 -20.640 -26.811 1.00 0.00 C ATOM 243 CD ARG A 17 15.607 -21.850 -26.544 1.00 0.00 C ATOM 244 NE ARG A 17 16.275 -22.330 -27.754 1.00 0.00 N ATOM 245 CZ ARG A 17 17.252 -23.243 -27.759 1.00 0.00 C ATOM 246 NH1 ARG A 17 17.711 -23.739 -26.615 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.783 -23.645 -28.907 1.00 0.00 N ATOM 0 H ARG A 17 13.353 -19.095 -23.388 1.00 0.00 H new ATOM 0 HA ARG A 17 15.688 -20.509 -24.194 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.459 -20.962 -25.123 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.379 -19.341 -25.784 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.972 -20.893 -27.550 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.336 -19.838 -27.236 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.356 -21.595 -25.795 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.998 -22.651 -26.126 1.00 0.00 H new ATOM 0 HE ARG A 17 15.977 -21.944 -28.650 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.318 -23.424 -25.728 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.456 -24.435 -26.624 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.446 -23.257 -29.788 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.528 -24.342 -28.908 1.00 0.00 H new ATOM 261 N GLU A 18 15.422 -17.358 -25.059 1.00 0.00 N ATOM 262 CA GLU A 18 16.180 -16.246 -25.607 1.00 0.00 C ATOM 263 C GLU A 18 16.532 -15.239 -24.520 1.00 0.00 C ATOM 264 O GLU A 18 17.431 -14.436 -24.687 1.00 0.00 O ATOM 265 CB GLU A 18 15.360 -15.561 -26.701 1.00 0.00 C ATOM 266 CG GLU A 18 15.010 -16.467 -27.874 1.00 0.00 C ATOM 267 CD GLU A 18 16.215 -16.950 -28.645 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.969 -16.111 -29.159 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.398 -18.177 -28.773 1.00 0.00 O ATOM 0 H GLU A 18 14.486 -17.120 -24.730 1.00 0.00 H new ATOM 0 HA GLU A 18 17.108 -16.632 -26.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.438 -15.178 -26.263 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.917 -14.701 -27.073 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.456 -17.330 -27.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.347 -15.930 -28.552 1.00 0.00 H new ATOM 276 N ALA A 19 15.823 -15.331 -23.390 1.00 0.00 N ATOM 277 CA ALA A 19 15.973 -14.413 -22.255 1.00 0.00 C ATOM 278 C ALA A 19 16.038 -12.940 -22.672 1.00 0.00 C ATOM 279 O ALA A 19 17.107 -12.312 -22.643 1.00 0.00 O ATOM 280 CB ALA A 19 17.158 -14.785 -21.377 1.00 0.00 C ATOM 0 H ALA A 19 15.120 -16.054 -23.236 1.00 0.00 H new ATOM 0 HA ALA A 19 15.065 -14.528 -21.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.233 -14.080 -20.549 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.018 -15.792 -20.985 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.074 -14.750 -21.967 1.00 0.00 H new ATOM 286 N VAL A 20 14.904 -12.399 -23.067 1.00 0.00 N ATOM 287 CA VAL A 20 14.814 -10.991 -23.402 1.00 0.00 C ATOM 288 C VAL A 20 14.368 -10.198 -22.189 1.00 0.00 C ATOM 289 O VAL A 20 13.289 -10.441 -21.625 1.00 0.00 O ATOM 290 CB VAL A 20 13.899 -10.698 -24.631 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.490 -11.296 -25.897 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.481 -11.211 -24.421 1.00 0.00 C ATOM 0 H VAL A 20 14.029 -12.914 -23.164 1.00 0.00 H new ATOM 0 HA VAL A 20 15.814 -10.673 -23.699 1.00 0.00 H new ATOM 0 HB VAL A 20 13.847 -9.615 -24.740 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.836 -11.080 -26.741 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.473 -10.863 -26.080 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.586 -12.375 -25.779 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.879 -10.986 -25.301 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.504 -12.289 -24.263 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.044 -10.726 -23.548 1.00 0.00 H new ATOM 302 N GLN A 21 15.221 -9.307 -21.742 1.00 0.00 N ATOM 303 CA GLN A 21 14.930 -8.514 -20.574 1.00 0.00 C ATOM 304 C GLN A 21 14.014 -7.349 -20.919 1.00 0.00 C ATOM 305 O GLN A 21 14.118 -6.757 -21.990 1.00 0.00 O ATOM 306 CB GLN A 21 16.214 -8.022 -19.901 1.00 0.00 C ATOM 307 CG GLN A 21 15.968 -7.272 -18.597 1.00 0.00 C ATOM 308 CD GLN A 21 17.242 -6.869 -17.898 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.270 -7.528 -18.027 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.189 -5.783 -17.157 1.00 0.00 N ATOM 0 H GLN A 21 16.125 -9.113 -22.172 1.00 0.00 H new ATOM 0 HA GLN A 21 14.408 -9.153 -19.862 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.861 -8.876 -19.703 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.749 -7.370 -20.591 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.376 -6.380 -18.804 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.377 -7.899 -17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.315 -5.263 -17.076 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.022 -5.461 -16.664 1.00 0.00 H new ATOM 319 N THR A 22 13.111 -7.064 -20.016 1.00 0.00 N ATOM 320 CA THR A 22 12.186 -5.961 -20.130 1.00 0.00 C ATOM 321 C THR A 22 12.576 -4.868 -19.107 1.00 0.00 C ATOM 322 O THR A 22 13.409 -5.132 -18.225 1.00 0.00 O ATOM 323 CB THR A 22 10.757 -6.474 -19.857 1.00 0.00 C ATOM 324 OG1 THR A 22 10.749 -7.183 -18.619 1.00 0.00 O ATOM 325 CG2 THR A 22 10.315 -7.415 -20.971 1.00 0.00 C ATOM 0 H THR A 22 12.994 -7.605 -19.159 1.00 0.00 H new ATOM 0 HA THR A 22 12.223 -5.535 -21.133 1.00 0.00 H new ATOM 0 HB THR A 22 10.073 -5.626 -19.813 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.217 -6.687 -17.962 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.305 -7.771 -20.767 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.328 -6.884 -21.923 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.996 -8.265 -21.021 1.00 0.00 H new ATOM 333 N PRO A 23 11.999 -3.639 -19.195 1.00 0.00 N ATOM 334 CA PRO A 23 12.367 -2.508 -18.310 1.00 0.00 C ATOM 335 C PRO A 23 12.202 -2.832 -16.826 1.00 0.00 C ATOM 336 O PRO A 23 12.968 -2.348 -15.989 1.00 0.00 O ATOM 337 CB PRO A 23 11.384 -1.407 -18.710 1.00 0.00 C ATOM 338 CG PRO A 23 11.007 -1.741 -20.103 1.00 0.00 C ATOM 339 CD PRO A 23 10.955 -3.237 -20.163 1.00 0.00 C ATOM 0 HA PRO A 23 13.417 -2.240 -18.428 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.513 -1.394 -18.055 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.844 -0.421 -18.648 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.042 -1.305 -20.362 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.736 -1.346 -20.811 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.974 -3.619 -19.882 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.167 -3.609 -21.165 1.00 0.00 H new ATOM 347 N CYS A 24 11.211 -3.652 -16.507 1.00 0.00 N ATOM 348 CA CYS A 24 10.933 -4.029 -15.130 1.00 0.00 C ATOM 349 C CYS A 24 11.962 -5.039 -14.594 1.00 0.00 C ATOM 350 O CYS A 24 12.042 -5.284 -13.387 1.00 0.00 O ATOM 351 CB CYS A 24 9.510 -4.567 -15.002 1.00 0.00 C ATOM 352 SG CYS A 24 9.090 -5.846 -16.225 1.00 0.00 S ATOM 0 H CYS A 24 10.581 -4.072 -17.191 1.00 0.00 H new ATOM 0 HA CYS A 24 11.019 -3.133 -14.515 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.377 -4.978 -14.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.809 -3.739 -15.102 1.00 0.00 H new ATOM 0 HG CYS A 24 8.772 -6.946 -15.610 1.00 0.00 H new ATOM 357 N GLY A 25 12.728 -5.630 -15.499 1.00 0.00 N ATOM 358 CA GLY A 25 13.736 -6.592 -15.107 1.00 0.00 C ATOM 359 C GLY A 25 13.300 -8.015 -15.357 1.00 0.00 C ATOM 360 O GLY A 25 14.033 -8.963 -15.067 1.00 0.00 O ATOM 0 H GLY A 25 12.668 -5.459 -16.503 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.656 -6.395 -15.657 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.964 -6.465 -14.049 1.00 0.00 H new ATOM 364 N HIS A 26 12.110 -8.179 -15.899 1.00 0.00 N ATOM 365 CA HIS A 26 11.615 -9.501 -16.218 1.00 0.00 C ATOM 366 C HIS A 26 12.218 -9.996 -17.505 1.00 0.00 C ATOM 367 O HIS A 26 12.497 -9.213 -18.413 1.00 0.00 O ATOM 368 CB HIS A 26 10.090 -9.536 -16.295 1.00 0.00 C ATOM 369 CG HIS A 26 9.422 -9.460 -14.968 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.330 -8.649 -14.705 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.678 -10.126 -13.822 1.00 0.00 C ATOM 372 CE1 HIS A 26 7.962 -8.831 -13.449 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.756 -9.717 -12.896 1.00 0.00 N ATOM 0 H HIS A 26 11.471 -7.417 -16.126 1.00 0.00 H new ATOM 0 HA HIS A 26 11.917 -10.165 -15.408 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.747 -8.706 -16.912 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.781 -10.454 -16.795 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.465 -10.848 -13.665 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.141 -8.331 -12.957 1.00 0.00 H new ATOM 0 HE2 HIS A 26 8.696 -10.047 -11.933 1.00 0.00 H new ATOM 380 N ARG A 27 12.428 -11.275 -17.582 1.00 0.00 N ATOM 381 CA ARG A 27 13.004 -11.888 -18.754 1.00 0.00 C ATOM 382 C ARG A 27 12.063 -12.938 -19.282 1.00 0.00 C ATOM 383 O ARG A 27 11.459 -13.683 -18.506 1.00 0.00 O ATOM 384 CB ARG A 27 14.357 -12.503 -18.405 1.00 0.00 C ATOM 385 CG ARG A 27 15.418 -11.485 -18.024 1.00 0.00 C ATOM 386 CD ARG A 27 16.697 -12.164 -17.584 1.00 0.00 C ATOM 387 NE ARG A 27 16.516 -12.870 -16.310 1.00 0.00 N ATOM 388 CZ ARG A 27 17.446 -13.609 -15.706 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.627 -13.801 -16.282 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.189 -14.171 -14.534 1.00 0.00 N ATOM 0 H ARG A 27 12.206 -11.931 -16.833 1.00 0.00 H new ATOM 0 HA ARG A 27 13.158 -11.133 -19.525 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.225 -13.202 -17.579 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.713 -13.081 -19.258 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.623 -10.834 -18.874 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.045 -10.851 -17.220 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.019 -12.869 -18.350 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.488 -11.422 -17.481 1.00 0.00 H new ATOM 0 HE ARG A 27 15.608 -12.789 -15.852 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.825 -13.382 -17.191 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.336 -14.367 -15.816 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.279 -14.038 -14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.901 -14.737 -14.072 1.00 0.00 H new ATOM 404 N PHE A 28 11.921 -12.987 -20.587 1.00 0.00 N ATOM 405 CA PHE A 28 11.001 -13.909 -21.234 1.00 0.00 C ATOM 406 C PHE A 28 11.633 -14.459 -22.505 1.00 0.00 C ATOM 407 O PHE A 28 12.697 -13.998 -22.921 1.00 0.00 O ATOM 408 CB PHE A 28 9.694 -13.192 -21.590 1.00 0.00 C ATOM 409 CG PHE A 28 8.967 -12.573 -20.421 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.165 -13.340 -19.598 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.077 -11.215 -20.162 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.489 -12.766 -18.538 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.409 -10.639 -19.107 1.00 0.00 C ATOM 414 CZ PHE A 28 7.611 -11.418 -18.291 1.00 0.00 C ATOM 0 H PHE A 28 12.437 -12.391 -21.234 1.00 0.00 H new ATOM 0 HA PHE A 28 10.786 -14.727 -20.547 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.913 -12.410 -22.318 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.028 -13.904 -22.077 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.065 -14.399 -19.785 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.697 -10.601 -20.798 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.864 -13.376 -17.903 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.508 -9.581 -18.917 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.084 -10.970 -17.461 1.00 0.00 H new ATOM 424 N CYS A 29 11.010 -15.455 -23.097 1.00 0.00 N ATOM 425 CA CYS A 29 11.451 -15.963 -24.383 1.00 0.00 C ATOM 426 C CYS A 29 10.919 -15.069 -25.502 1.00 0.00 C ATOM 427 O CYS A 29 9.918 -14.360 -25.318 1.00 0.00 O ATOM 428 CB CYS A 29 10.944 -17.376 -24.588 1.00 0.00 C ATOM 429 SG CYS A 29 11.360 -18.513 -23.244 1.00 0.00 S ATOM 0 H CYS A 29 10.195 -15.931 -22.710 1.00 0.00 H new ATOM 0 HA CYS A 29 12.541 -15.966 -24.403 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.861 -17.348 -24.704 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.354 -17.766 -25.519 1.00 0.00 H new ATOM 0 HG CYS A 29 10.566 -18.303 -22.236 1.00 0.00 H new ATOM 434 N LYS A 30 11.560 -15.132 -26.669 1.00 0.00 N ATOM 435 CA LYS A 30 11.210 -14.280 -27.813 1.00 0.00 C ATOM 436 C LYS A 30 9.840 -14.664 -28.392 1.00 0.00 C ATOM 437 O LYS A 30 9.260 -13.942 -29.191 1.00 0.00 O ATOM 438 CB LYS A 30 12.305 -14.332 -28.897 1.00 0.00 C ATOM 439 CG LYS A 30 12.103 -13.338 -30.041 1.00 0.00 C ATOM 440 CD LYS A 30 13.261 -13.335 -31.052 1.00 0.00 C ATOM 441 CE LYS A 30 13.216 -14.506 -32.043 1.00 0.00 C ATOM 442 NZ LYS A 30 13.584 -15.815 -31.442 1.00 0.00 N ATOM 0 H LYS A 30 12.334 -15.771 -26.851 1.00 0.00 H new ATOM 0 HA LYS A 30 11.143 -13.253 -27.455 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.271 -14.140 -28.431 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.344 -15.340 -29.309 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.175 -13.577 -30.561 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.988 -12.336 -29.627 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.243 -12.398 -31.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.206 -13.366 -30.509 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.212 -14.578 -32.461 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.892 -14.295 -32.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.005 -16.426 -32.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.272 -15.665 -30.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.733 -16.272 -31.057 1.00 0.00 H new ATOM 456 N ALA A 31 9.314 -15.787 -27.965 1.00 0.00 N ATOM 457 CA ALA A 31 8.033 -16.237 -28.475 1.00 0.00 C ATOM 458 C ALA A 31 6.981 -16.227 -27.378 1.00 0.00 C ATOM 459 O ALA A 31 5.788 -16.245 -27.656 1.00 0.00 O ATOM 460 CB ALA A 31 8.162 -17.635 -29.061 1.00 0.00 C ATOM 0 H ALA A 31 9.744 -16.402 -27.274 1.00 0.00 H new ATOM 0 HA ALA A 31 7.718 -15.550 -29.260 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.194 -17.961 -29.440 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.886 -17.623 -29.876 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.499 -18.324 -28.287 1.00 0.00 H new ATOM 466 N CYS A 32 7.414 -16.166 -26.137 1.00 0.00 N ATOM 467 CA CYS A 32 6.478 -16.153 -25.039 1.00 0.00 C ATOM 468 C CYS A 32 5.955 -14.753 -24.761 1.00 0.00 C ATOM 469 O CYS A 32 4.744 -14.542 -24.708 1.00 0.00 O ATOM 470 CB CYS A 32 7.110 -16.759 -23.791 1.00 0.00 C ATOM 471 SG CYS A 32 7.772 -18.435 -24.046 1.00 0.00 S ATOM 0 H CYS A 32 8.397 -16.125 -25.867 1.00 0.00 H new ATOM 0 HA CYS A 32 5.623 -16.765 -25.325 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.915 -16.108 -23.450 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.365 -16.789 -22.996 1.00 0.00 H new ATOM 0 HG CYS A 32 9.000 -18.486 -23.622 1.00 0.00 H new ATOM 476 N ILE A 33 6.859 -13.793 -24.604 1.00 0.00 N ATOM 477 CA ILE A 33 6.442 -12.435 -24.294 1.00 0.00 C ATOM 478 C ILE A 33 5.732 -11.777 -25.475 1.00 0.00 C ATOM 479 O ILE A 33 4.727 -11.090 -25.300 1.00 0.00 O ATOM 480 CB ILE A 33 7.597 -11.549 -23.762 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.061 -10.215 -23.231 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.666 -11.324 -24.816 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.116 -10.363 -22.048 1.00 0.00 C ATOM 0 H ILE A 33 7.867 -13.927 -24.685 1.00 0.00 H new ATOM 0 HA ILE A 33 5.724 -12.522 -23.479 1.00 0.00 H new ATOM 0 HB ILE A 33 8.064 -12.084 -22.935 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.902 -9.587 -22.937 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.542 -9.696 -24.037 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.458 -10.698 -24.404 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.084 -12.283 -25.121 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.225 -10.828 -25.681 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.778 -9.378 -21.727 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.256 -10.964 -22.343 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.637 -10.854 -21.226 1.00 0.00 H new ATOM 495 N ILE A 34 6.226 -12.026 -26.677 1.00 0.00 N ATOM 496 CA ILE A 34 5.634 -11.460 -27.873 1.00 0.00 C ATOM 497 C ILE A 34 4.204 -11.962 -28.056 1.00 0.00 C ATOM 498 O ILE A 34 3.290 -11.181 -28.328 1.00 0.00 O ATOM 499 CB ILE A 34 6.507 -11.665 -29.141 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.792 -10.835 -29.008 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.750 -11.266 -30.399 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.796 -11.048 -30.122 1.00 0.00 C ATOM 0 H ILE A 34 7.038 -12.619 -26.848 1.00 0.00 H new ATOM 0 HA ILE A 34 5.591 -10.380 -27.732 1.00 0.00 H new ATOM 0 HB ILE A 34 6.759 -12.722 -29.227 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.525 -9.779 -28.974 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.267 -11.075 -28.057 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.386 -11.420 -31.271 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.852 -11.877 -30.492 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.469 -10.215 -30.336 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.672 -10.423 -29.947 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.097 -12.095 -30.145 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.343 -10.779 -31.076 1.00 0.00 H new ATOM 514 N LYS A 35 3.999 -13.249 -27.823 1.00 0.00 N ATOM 515 CA LYS A 35 2.671 -13.842 -27.921 1.00 0.00 C ATOM 516 C LYS A 35 1.846 -13.554 -26.668 1.00 0.00 C ATOM 517 O LYS A 35 0.783 -14.128 -26.476 1.00 0.00 O ATOM 518 CB LYS A 35 2.749 -15.357 -28.148 1.00 0.00 C ATOM 519 CG LYS A 35 3.206 -15.777 -29.534 1.00 0.00 C ATOM 520 CD LYS A 35 2.115 -15.572 -30.597 1.00 0.00 C ATOM 521 CE LYS A 35 1.075 -16.711 -30.608 1.00 0.00 C ATOM 522 NZ LYS A 35 0.080 -16.626 -29.497 1.00 0.00 N ATOM 0 H LYS A 35 4.736 -13.905 -27.564 1.00 0.00 H new ATOM 0 HA LYS A 35 2.180 -13.386 -28.781 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.430 -15.785 -27.412 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.766 -15.788 -27.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.091 -15.205 -29.811 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.498 -16.827 -29.515 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.608 -14.624 -30.414 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.580 -15.500 -31.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.545 -16.698 -31.560 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.595 -17.667 -30.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.732 -17.240 -29.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.524 -16.935 -28.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.246 -15.644 -29.398 1.00 0.00 H new ATOM 536 N SER A 36 2.346 -12.691 -25.812 1.00 0.00 N ATOM 537 CA SER A 36 1.554 -12.199 -24.710 1.00 0.00 C ATOM 538 C SER A 36 1.187 -10.723 -24.921 1.00 0.00 C ATOM 539 O SER A 36 0.142 -10.262 -24.458 1.00 0.00 O ATOM 540 CB SER A 36 2.296 -12.386 -23.390 1.00 0.00 C ATOM 541 OG SER A 36 2.612 -13.752 -23.188 1.00 0.00 O ATOM 0 H SER A 36 3.294 -12.317 -25.858 1.00 0.00 H new ATOM 0 HA SER A 36 0.631 -12.777 -24.669 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.210 -11.792 -23.392 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.682 -12.023 -22.566 1.00 0.00 H new ATOM 0 HG SER A 36 3.313 -14.022 -23.817 1.00 0.00 H new ATOM 547 N ILE A 37 2.012 -9.997 -25.687 1.00 0.00 N ATOM 548 CA ILE A 37 1.819 -8.554 -25.820 1.00 0.00 C ATOM 549 C ILE A 37 1.196 -8.144 -27.148 1.00 0.00 C ATOM 550 O ILE A 37 0.524 -7.128 -27.224 1.00 0.00 O ATOM 551 CB ILE A 37 3.119 -7.749 -25.569 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.228 -8.157 -26.551 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.580 -7.911 -24.122 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.486 -7.319 -26.456 1.00 0.00 C ATOM 0 H ILE A 37 2.800 -10.377 -26.211 1.00 0.00 H new ATOM 0 HA ILE A 37 1.106 -8.302 -25.035 1.00 0.00 H new ATOM 0 HB ILE A 37 2.901 -6.695 -25.742 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.487 -9.201 -26.374 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.839 -8.093 -27.567 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.494 -7.338 -23.965 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.803 -7.546 -23.450 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.772 -8.964 -23.917 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.216 -7.675 -27.183 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.245 -6.276 -26.664 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.904 -7.402 -25.453 1.00 0.00 H new ATOM 566 N ARG A 38 1.404 -8.926 -28.194 1.00 0.00 N ATOM 567 CA ARG A 38 0.738 -8.633 -29.467 1.00 0.00 C ATOM 568 C ARG A 38 -0.468 -9.542 -29.613 1.00 0.00 C ATOM 569 O ARG A 38 -1.170 -9.528 -30.624 1.00 0.00 O ATOM 570 CB ARG A 38 1.675 -8.846 -30.658 1.00 0.00 C ATOM 571 CG ARG A 38 2.013 -10.300 -30.938 1.00 0.00 C ATOM 572 CD ARG A 38 2.879 -10.427 -32.174 1.00 0.00 C ATOM 573 NE ARG A 38 2.171 -9.986 -33.373 1.00 0.00 N ATOM 574 CZ ARG A 38 2.700 -9.929 -34.593 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.962 -10.305 -34.799 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.964 -9.494 -35.605 1.00 0.00 N ATOM 0 H ARG A 38 2.009 -9.747 -28.198 1.00 0.00 H new ATOM 0 HA ARG A 38 0.435 -7.586 -29.460 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.216 -8.415 -31.548 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.600 -8.298 -30.479 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.532 -10.728 -30.080 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.095 -10.871 -31.073 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.785 -9.834 -32.047 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.191 -11.464 -32.296 1.00 0.00 H new ATOM 0 HE ARG A 38 1.198 -9.700 -33.267 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.528 -10.639 -34.019 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.361 -10.259 -35.736 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.999 -9.205 -35.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.363 -9.448 -36.543 1.00 0.00 H new ATOM 590 N ASP A 39 -0.699 -10.328 -28.592 1.00 0.00 N ATOM 591 CA ASP A 39 -1.699 -11.364 -28.648 1.00 0.00 C ATOM 592 C ASP A 39 -2.794 -11.073 -27.645 1.00 0.00 C ATOM 593 O ASP A 39 -3.965 -10.952 -28.013 1.00 0.00 O ATOM 594 CB ASP A 39 -1.028 -12.688 -28.333 1.00 0.00 C ATOM 595 CG ASP A 39 -1.892 -13.897 -28.575 1.00 0.00 C ATOM 596 OD1 ASP A 39 -2.753 -14.198 -27.736 1.00 0.00 O ATOM 597 OD2 ASP A 39 -1.674 -14.589 -29.592 1.00 0.00 O ATOM 0 H ASP A 39 -0.202 -10.269 -27.703 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.149 -11.406 -29.640 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.124 -12.776 -28.936 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.715 -12.683 -27.289 1.00 0.00 H new ATOM 602 N ALA A 40 -2.413 -10.929 -26.389 1.00 0.00 N ATOM 603 CA ALA A 40 -3.359 -10.557 -25.358 1.00 0.00 C ATOM 604 C ALA A 40 -3.370 -9.042 -25.179 1.00 0.00 C ATOM 605 O ALA A 40 -4.337 -8.371 -25.541 1.00 0.00 O ATOM 606 CB ALA A 40 -3.041 -11.263 -24.047 1.00 0.00 C ATOM 0 H ALA A 40 -1.457 -11.064 -26.061 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.355 -10.874 -25.668 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.766 -10.967 -23.289 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.090 -12.342 -24.194 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.039 -10.986 -23.719 1.00 0.00 H new ATOM 612 N GLY A 41 -2.281 -8.511 -24.649 1.00 0.00 N ATOM 613 CA GLY A 41 -2.191 -7.089 -24.442 1.00 0.00 C ATOM 614 C GLY A 41 -0.783 -6.655 -24.145 1.00 0.00 C ATOM 615 O GLY A 41 0.039 -7.467 -23.708 1.00 0.00 O ATOM 0 H GLY A 41 -1.460 -9.042 -24.360 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.552 -6.569 -25.330 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.842 -6.800 -23.617 1.00 0.00 H new ATOM 619 N HIS A 42 -0.501 -5.381 -24.340 1.00 0.00 N ATOM 620 CA HIS A 42 0.850 -4.869 -24.180 1.00 0.00 C ATOM 621 C HIS A 42 1.240 -4.642 -22.734 1.00 0.00 C ATOM 622 O HIS A 42 1.406 -3.506 -22.293 1.00 0.00 O ATOM 623 CB HIS A 42 1.096 -3.612 -25.018 1.00 0.00 C ATOM 624 CG HIS A 42 1.329 -3.891 -26.464 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.340 -3.871 -27.415 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.464 -4.218 -27.117 1.00 0.00 C ATOM 627 CE1 HIS A 42 0.856 -4.174 -28.589 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.142 -4.387 -28.429 1.00 0.00 N ATOM 0 H HIS A 42 -1.190 -4.679 -24.610 1.00 0.00 H new ATOM 0 HA HIS A 42 1.501 -5.657 -24.558 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.238 -2.947 -24.919 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.959 -3.081 -24.616 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.446 -4.326 -26.680 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.315 -4.236 -29.522 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.796 -4.639 -29.170 1.00 0.00 H new ATOM 637 N LYS A 43 1.360 -5.724 -21.999 1.00 0.00 N ATOM 638 CA LYS A 43 1.854 -5.692 -20.642 1.00 0.00 C ATOM 639 C LYS A 43 2.502 -7.021 -20.295 1.00 0.00 C ATOM 640 O LYS A 43 2.117 -8.061 -20.846 1.00 0.00 O ATOM 641 CB LYS A 43 0.735 -5.357 -19.637 1.00 0.00 C ATOM 642 CG LYS A 43 -0.365 -6.396 -19.538 1.00 0.00 C ATOM 643 CD LYS A 43 -1.409 -5.988 -18.517 1.00 0.00 C ATOM 644 CE LYS A 43 -2.438 -7.086 -18.306 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.258 -7.327 -19.514 1.00 0.00 N ATOM 0 H LYS A 43 1.116 -6.658 -22.329 1.00 0.00 H new ATOM 0 HA LYS A 43 2.601 -4.901 -20.574 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.180 -5.225 -18.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.289 -4.402 -19.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.836 -6.526 -20.512 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.064 -7.359 -19.260 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.922 -5.757 -17.570 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.909 -5.078 -18.849 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.930 -8.008 -18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.090 -6.815 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.989 -8.035 -19.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.712 -6.439 -19.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.650 -7.677 -20.282 1.00 0.00 H new ATOM 659 N CYS A 44 3.487 -6.993 -19.411 1.00 0.00 N ATOM 660 CA CYS A 44 4.057 -8.213 -18.898 1.00 0.00 C ATOM 661 C CYS A 44 3.146 -8.776 -17.807 1.00 0.00 C ATOM 662 O CYS A 44 2.827 -8.087 -16.839 1.00 0.00 O ATOM 663 CB CYS A 44 5.499 -7.985 -18.412 1.00 0.00 C ATOM 664 SG CYS A 44 5.786 -6.381 -17.593 1.00 0.00 S ATOM 0 H CYS A 44 3.902 -6.139 -19.039 1.00 0.00 H new ATOM 0 HA CYS A 44 4.121 -8.954 -19.695 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.764 -8.783 -17.719 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.172 -8.067 -19.265 1.00 0.00 H new ATOM 0 HG CYS A 44 5.643 -6.518 -16.308 1.00 0.00 H new ATOM 669 N PRO A 45 2.710 -10.034 -17.957 1.00 0.00 N ATOM 670 CA PRO A 45 1.642 -10.614 -17.129 1.00 0.00 C ATOM 671 C PRO A 45 1.971 -10.710 -15.634 1.00 0.00 C ATOM 672 O PRO A 45 1.072 -10.664 -14.790 1.00 0.00 O ATOM 673 CB PRO A 45 1.444 -12.009 -17.734 1.00 0.00 C ATOM 674 CG PRO A 45 2.741 -12.312 -18.401 1.00 0.00 C ATOM 675 CD PRO A 45 3.222 -11.004 -18.948 1.00 0.00 C ATOM 0 HA PRO A 45 0.754 -9.982 -17.148 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.211 -12.746 -16.965 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.619 -12.020 -18.446 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.458 -12.730 -17.694 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.612 -13.047 -19.196 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.309 -10.971 -19.024 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.827 -10.812 -19.946 1.00 0.00 H new ATOM 683 N VAL A 46 3.243 -10.844 -15.309 1.00 0.00 N ATOM 684 CA VAL A 46 3.656 -11.042 -13.923 1.00 0.00 C ATOM 685 C VAL A 46 3.355 -9.811 -13.045 1.00 0.00 C ATOM 686 O VAL A 46 2.772 -9.931 -11.963 1.00 0.00 O ATOM 687 CB VAL A 46 5.161 -11.401 -13.825 1.00 0.00 C ATOM 688 CG1 VAL A 46 5.591 -11.574 -12.370 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.464 -12.656 -14.627 1.00 0.00 C ATOM 0 H VAL A 46 4.010 -10.820 -15.981 1.00 0.00 H new ATOM 0 HA VAL A 46 3.069 -11.879 -13.545 1.00 0.00 H new ATOM 0 HB VAL A 46 5.733 -10.575 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.651 -11.825 -12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.418 -10.645 -11.827 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.011 -12.375 -11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.525 -12.892 -14.546 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.877 -13.487 -14.237 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.208 -12.490 -15.673 1.00 0.00 H new ATOM 699 N ASP A 47 3.730 -8.641 -13.522 1.00 0.00 N ATOM 700 CA ASP A 47 3.604 -7.410 -12.739 1.00 0.00 C ATOM 701 C ASP A 47 2.693 -6.385 -13.398 1.00 0.00 C ATOM 702 O ASP A 47 2.589 -5.262 -12.920 1.00 0.00 O ATOM 703 CB ASP A 47 4.986 -6.785 -12.486 1.00 0.00 C ATOM 704 CG ASP A 47 5.786 -6.557 -13.762 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.477 -7.155 -14.795 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.765 -5.811 -13.746 1.00 0.00 O ATOM 0 H ASP A 47 4.127 -8.508 -14.452 1.00 0.00 H new ATOM 0 HA ASP A 47 3.148 -7.693 -11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.858 -5.833 -11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.554 -7.434 -11.820 1.00 0.00 H new ATOM 711 N ASN A 48 2.045 -6.775 -14.491 1.00 0.00 N ATOM 712 CA ASN A 48 1.081 -5.921 -15.226 1.00 0.00 C ATOM 713 C ASN A 48 1.629 -4.535 -15.587 1.00 0.00 C ATOM 714 O ASN A 48 0.912 -3.527 -15.525 1.00 0.00 O ATOM 715 CB ASN A 48 -0.339 -5.852 -14.588 1.00 0.00 C ATOM 716 CG ASN A 48 -0.383 -5.460 -13.116 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.340 -6.323 -12.230 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.460 -4.174 -12.840 1.00 0.00 N ATOM 0 H ASN A 48 2.166 -7.699 -14.906 1.00 0.00 H new ATOM 0 HA ASN A 48 0.945 -6.446 -16.171 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.937 -5.137 -15.153 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.816 -6.826 -14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.486 -3.861 -11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.494 -3.491 -13.597 1.00 0.00 H new ATOM 725 N GLU A 49 2.890 -4.500 -15.988 1.00 0.00 N ATOM 726 CA GLU A 49 3.525 -3.278 -16.474 1.00 0.00 C ATOM 727 C GLU A 49 3.325 -3.172 -17.972 1.00 0.00 C ATOM 728 O GLU A 49 3.449 -4.167 -18.680 1.00 0.00 O ATOM 729 CB GLU A 49 5.027 -3.304 -16.177 1.00 0.00 C ATOM 730 CG GLU A 49 5.406 -3.147 -14.718 1.00 0.00 C ATOM 731 CD GLU A 49 5.116 -1.765 -14.185 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.613 -0.778 -14.776 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.404 -1.642 -13.168 1.00 0.00 O ATOM 0 H GLU A 49 3.504 -5.315 -15.987 1.00 0.00 H new ATOM 0 HA GLU A 49 3.074 -2.423 -15.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.435 -4.247 -16.541 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.506 -2.508 -16.747 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.862 -3.882 -14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.468 -3.363 -14.598 1.00 0.00 H new ATOM 740 N ILE A 50 3.025 -1.977 -18.455 1.00 0.00 N ATOM 741 CA ILE A 50 2.802 -1.764 -19.876 1.00 0.00 C ATOM 742 C ILE A 50 4.099 -1.991 -20.634 1.00 0.00 C ATOM 743 O ILE A 50 5.118 -1.349 -20.364 1.00 0.00 O ATOM 744 CB ILE A 50 2.246 -0.345 -20.169 1.00 0.00 C ATOM 745 CG1 ILE A 50 0.884 -0.146 -19.484 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.141 -0.085 -21.673 1.00 0.00 C ATOM 747 CD1 ILE A 50 -0.192 -1.123 -19.938 1.00 0.00 C ATOM 0 H ILE A 50 2.930 -1.138 -17.883 1.00 0.00 H new ATOM 0 HA ILE A 50 2.051 -2.480 -20.211 1.00 0.00 H new ATOM 0 HB ILE A 50 2.949 0.380 -19.758 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.015 -0.242 -18.406 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.539 0.871 -19.674 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.748 0.918 -21.842 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.129 -0.169 -22.127 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.471 -0.818 -22.123 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.121 -0.914 -19.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.355 -1.013 -21.010 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.128 -2.142 -19.723 1.00 0.00 H new ATOM 759 N LEU A 51 4.062 -2.914 -21.558 1.00 0.00 N ATOM 760 CA LEU A 51 5.249 -3.327 -22.244 1.00 0.00 C ATOM 761 C LEU A 51 5.121 -3.129 -23.744 1.00 0.00 C ATOM 762 O LEU A 51 4.146 -3.564 -24.362 1.00 0.00 O ATOM 763 CB LEU A 51 5.551 -4.788 -21.918 1.00 0.00 C ATOM 764 CG LEU A 51 6.847 -5.351 -22.495 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.051 -4.611 -21.931 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.951 -6.828 -22.201 1.00 0.00 C ATOM 0 H LEU A 51 3.212 -3.396 -21.852 1.00 0.00 H new ATOM 0 HA LEU A 51 6.076 -2.705 -21.903 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.582 -4.898 -20.834 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.722 -5.398 -22.277 1.00 0.00 H new ATOM 0 HG LEU A 51 6.834 -5.210 -23.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.965 -5.027 -22.355 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.981 -3.554 -22.187 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.071 -4.721 -20.847 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.880 -7.217 -22.618 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.943 -6.986 -21.123 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.105 -7.349 -22.650 1.00 0.00 H new ATOM 778 N LEU A 52 6.097 -2.477 -24.317 1.00 0.00 N ATOM 779 CA LEU A 52 6.179 -2.289 -25.754 1.00 0.00 C ATOM 780 C LEU A 52 7.301 -3.167 -26.285 1.00 0.00 C ATOM 781 O LEU A 52 8.260 -3.426 -25.568 1.00 0.00 O ATOM 782 CB LEU A 52 6.435 -0.808 -26.120 1.00 0.00 C ATOM 783 CG LEU A 52 5.342 0.224 -25.750 1.00 0.00 C ATOM 784 CD1 LEU A 52 3.975 -0.211 -26.254 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.309 0.525 -24.258 1.00 0.00 C ATOM 0 H LEU A 52 6.869 -2.055 -23.801 1.00 0.00 H new ATOM 0 HA LEU A 52 5.229 -2.570 -26.208 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.364 -0.500 -25.640 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.599 -0.752 -27.196 1.00 0.00 H new ATOM 0 HG LEU A 52 5.606 1.154 -26.254 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.231 0.536 -25.977 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.002 -0.312 -27.339 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.711 -1.170 -25.807 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.526 1.254 -24.051 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.106 -0.393 -23.706 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.272 0.929 -23.947 1.00 0.00 H new ATOM 797 N GLU A 53 7.182 -3.618 -27.530 1.00 0.00 N ATOM 798 CA GLU A 53 8.137 -4.561 -28.125 1.00 0.00 C ATOM 799 C GLU A 53 9.546 -3.980 -28.139 1.00 0.00 C ATOM 800 O GLU A 53 10.527 -4.696 -27.938 1.00 0.00 O ATOM 801 CB GLU A 53 7.745 -4.920 -29.568 1.00 0.00 C ATOM 802 CG GLU A 53 6.419 -5.649 -29.733 1.00 0.00 C ATOM 803 CD GLU A 53 5.205 -4.733 -29.715 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.351 -3.512 -29.467 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.084 -5.225 -29.966 1.00 0.00 O ATOM 0 H GLU A 53 6.425 -3.344 -28.157 1.00 0.00 H new ATOM 0 HA GLU A 53 8.115 -5.460 -27.508 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.708 -4.001 -30.154 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.534 -5.539 -29.995 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.433 -6.199 -30.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.318 -6.385 -28.935 1.00 0.00 H new ATOM 812 N ASN A 54 9.639 -2.686 -28.380 1.00 0.00 N ATOM 813 CA ASN A 54 10.925 -1.988 -28.412 1.00 0.00 C ATOM 814 C ASN A 54 11.603 -1.982 -27.040 1.00 0.00 C ATOM 815 O ASN A 54 12.829 -1.934 -26.942 1.00 0.00 O ATOM 816 CB ASN A 54 10.775 -0.565 -28.954 1.00 0.00 C ATOM 817 CG ASN A 54 10.557 -0.517 -30.460 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.917 0.400 -30.968 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.081 -1.486 -31.185 1.00 0.00 N ATOM 0 H ASN A 54 8.834 -2.085 -28.559 1.00 0.00 H new ATOM 0 HA ASN A 54 11.571 -2.541 -29.094 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.935 -0.080 -28.456 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.668 0.008 -28.704 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.960 -1.488 -32.198 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.607 -2.234 -30.733 1.00 0.00 H new ATOM 826 N GLN A 55 10.794 -2.023 -25.983 1.00 0.00 N ATOM 827 CA GLN A 55 11.294 -2.033 -24.612 1.00 0.00 C ATOM 828 C GLN A 55 12.045 -3.313 -24.294 1.00 0.00 C ATOM 829 O GLN A 55 12.837 -3.357 -23.360 1.00 0.00 O ATOM 830 CB GLN A 55 10.178 -1.798 -23.608 1.00 0.00 C ATOM 831 CG GLN A 55 9.582 -0.409 -23.675 1.00 0.00 C ATOM 832 CD GLN A 55 8.450 -0.216 -22.700 1.00 0.00 C ATOM 833 OE1 GLN A 55 7.719 -1.151 -22.384 1.00 0.00 O ATOM 834 NE2 GLN A 55 8.298 0.992 -22.218 1.00 0.00 N ATOM 0 H GLN A 55 9.777 -2.050 -26.054 1.00 0.00 H new ATOM 0 HA GLN A 55 12.000 -1.207 -24.528 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.389 -2.531 -23.777 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.563 -1.970 -22.603 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.361 0.326 -23.472 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.221 -0.221 -24.686 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.928 1.740 -22.508 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.549 1.185 -21.553 1.00 0.00 H new ATOM 843 N LEU A 56 11.771 -4.356 -25.063 1.00 0.00 N ATOM 844 CA LEU A 56 12.478 -5.614 -24.909 1.00 0.00 C ATOM 845 C LEU A 56 13.913 -5.412 -25.350 1.00 0.00 C ATOM 846 O LEU A 56 14.177 -4.944 -26.462 1.00 0.00 O ATOM 847 CB LEU A 56 11.839 -6.711 -25.780 1.00 0.00 C ATOM 848 CG LEU A 56 10.525 -7.353 -25.304 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.419 -6.334 -25.128 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.099 -8.429 -26.286 1.00 0.00 C ATOM 0 H LEU A 56 11.064 -4.354 -25.799 1.00 0.00 H new ATOM 0 HA LEU A 56 12.429 -5.926 -23.866 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.662 -6.288 -26.769 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.573 -7.508 -25.901 1.00 0.00 H new ATOM 0 HG LEU A 56 10.708 -7.797 -24.326 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.512 -6.836 -24.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.721 -5.594 -24.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.227 -5.838 -26.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.168 -8.883 -25.947 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.949 -7.985 -27.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.874 -9.193 -26.347 1.00 0.00 H new