USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 264 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 Single : A 7 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.47) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -0.74 K(o=-0.74,f=-1.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.084) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= -0.465 (180deg=-1.84!) USER MOD Single : A 27 MET CE :methyl -147:sc= 0 (180deg=-1.49!) USER MOD Single : A 30 THR OG1 : rot -120:sc= -2.39! USER MOD Single : A 31 TYR OH : rot 115:sc= 0.232 USER MOD Single : A 34 ASN : amide:sc= -2.91! K(o=-2.9!,f=-0.33) USER MOD Single : A 36 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.21) USER MOD Single : A 37 GLN : amide:sc= -7.34! C(o=-7.3!,f=-15!) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -3.59! (180deg=-3.65!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLN A 7 -2.518 2.313 -2.086 1.00 0.00 N ATOM 112 CA GLN A 7 -3.889 2.608 -1.687 1.00 0.00 C ATOM 113 C GLN A 7 -4.242 1.892 -0.387 1.00 0.00 C ATOM 114 O GLN A 7 -4.428 0.674 -0.368 1.00 0.00 O ATOM 115 CB GLN A 7 -4.865 2.201 -2.790 1.00 0.00 C ATOM 116 CG GLN A 7 -4.900 3.172 -3.958 1.00 0.00 C ATOM 117 CD GLN A 7 -5.463 4.527 -3.572 1.00 0.00 C ATOM 118 OE1 GLN A 7 -6.454 4.616 -2.849 1.00 0.00 O ATOM 119 NE2 GLN A 7 -4.829 5.589 -4.053 1.00 0.00 N ATOM 0 HA GLN A 7 -3.969 3.683 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.593 1.212 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.866 2.119 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.891 3.300 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.502 2.747 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.010 5.468 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.160 6.527 -3.826 1.00 0.00 H new ATOM 128 N ALA A 8 -4.331 2.655 0.697 1.00 0.00 N ATOM 129 CA ALA A 8 -4.658 2.096 2.001 1.00 0.00 C ATOM 130 C ALA A 8 -5.597 0.900 1.873 1.00 0.00 C ATOM 131 O ALA A 8 -6.744 1.041 1.451 1.00 0.00 O ATOM 132 CB ALA A 8 -5.281 3.161 2.890 1.00 0.00 C ATOM 0 H ALA A 8 -4.181 3.664 0.697 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.732 1.748 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.521 2.729 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.577 3.983 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.193 3.536 2.425 1.00 0.00 H new ATOM 138 N CYS A 9 -5.103 -0.276 2.247 1.00 0.00 N ATOM 139 CA CYS A 9 -5.899 -1.497 2.180 1.00 0.00 C ATOM 140 C CYS A 9 -7.355 -1.210 2.530 1.00 0.00 C ATOM 141 O CYS A 9 -8.265 -1.903 2.073 1.00 0.00 O ATOM 142 CB CYS A 9 -5.331 -2.548 3.133 1.00 0.00 C ATOM 143 SG CYS A 9 -5.920 -4.246 2.818 1.00 0.00 S ATOM 0 H CYS A 9 -4.155 -0.410 2.600 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.856 -1.880 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.243 -2.535 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.588 -2.271 4.155 1.00 0.00 H new ATOM 148 N TRP A 10 -7.562 -0.184 3.348 1.00 0.00 N ATOM 149 CA TRP A 10 -8.903 0.205 3.768 1.00 0.00 C ATOM 150 C TRP A 10 -9.641 0.924 2.643 1.00 0.00 C ATOM 151 O TRP A 10 -10.760 0.559 2.285 1.00 0.00 O ATOM 152 CB TRP A 10 -8.827 1.110 4.996 1.00 0.00 C ATOM 153 CG TRP A 10 -7.432 1.530 5.336 1.00 0.00 C ATOM 154 CD1 TRP A 10 -6.427 0.750 5.834 1.00 0.00 C ATOM 155 CD2 TRP A 10 -6.894 2.842 5.201 1.00 0.00 C ATOM 156 NE1 TRP A 10 -5.291 1.506 6.012 1.00 0.00 N ATOM 157 CE2 TRP A 10 -5.556 2.797 5.630 1.00 0.00 C ATOM 158 CE3 TRP A 10 -7.422 4.046 4.754 1.00 0.00 C ATOM 159 CZ2 TRP A 10 -4.737 3.924 5.623 1.00 0.00 C ATOM 160 CZ3 TRP A 10 -6.613 5.167 4.747 1.00 0.00 C ATOM 161 CH2 TRP A 10 -5.281 5.099 5.178 1.00 0.00 C ATOM 0 H TRP A 10 -6.816 0.395 3.734 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.455 -0.701 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -9.434 1.998 4.822 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.261 0.589 5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.512 -0.304 6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -4.399 1.163 6.369 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.447 4.106 4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.711 3.873 5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -7.013 6.110 4.404 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -4.672 5.991 5.159 1.00 0.00 H new ATOM 172 N SER A 11 -9.005 1.957 2.100 1.00 0.00 N ATOM 173 CA SER A 11 -9.595 2.740 1.017 1.00 0.00 C ATOM 174 C SER A 11 -10.333 1.848 0.026 1.00 0.00 C ATOM 175 O SER A 11 -11.268 2.289 -0.642 1.00 0.00 O ATOM 176 CB SER A 11 -8.513 3.541 0.293 1.00 0.00 C ATOM 177 OG SER A 11 -8.743 4.933 0.404 1.00 0.00 O ATOM 0 H SER A 11 -8.080 2.273 2.392 1.00 0.00 H new ATOM 0 HA SER A 11 -10.317 3.427 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.536 3.297 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.490 3.257 -0.759 1.00 0.00 H new ATOM 0 HG SER A 11 -8.035 5.420 -0.067 1.00 0.00 H new ATOM 183 N HIS A 12 -9.908 0.592 -0.070 1.00 0.00 N ATOM 184 CA HIS A 12 -10.532 -0.355 -0.986 1.00 0.00 C ATOM 185 C HIS A 12 -11.408 -1.351 -0.235 1.00 0.00 C ATOM 186 O HIS A 12 -12.260 -2.016 -0.826 1.00 0.00 O ATOM 187 CB HIS A 12 -9.463 -1.100 -1.788 1.00 0.00 C ATOM 188 CG HIS A 12 -8.832 -0.268 -2.860 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.927 -0.571 -4.203 1.00 0.00 N ATOM 190 CD2 HIS A 12 -8.095 0.866 -2.784 1.00 0.00 C ATOM 191 CE1 HIS A 12 -8.276 0.340 -4.905 1.00 0.00 C ATOM 192 NE2 HIS A 12 -7.763 1.222 -4.068 1.00 0.00 N ATOM 0 H HIS A 12 -9.136 0.208 0.474 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.166 0.208 -1.671 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.687 -1.450 -1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.911 -1.984 -2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.422 -1.373 -4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.820 1.392 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.180 0.359 -5.981 1.00 0.00 H new ATOM 201 N SER A 13 -11.195 -1.454 1.072 1.00 0.00 N ATOM 202 CA SER A 13 -11.966 -2.371 1.901 1.00 0.00 C ATOM 203 C SER A 13 -11.451 -3.799 1.755 1.00 0.00 C ATOM 204 O SER A 13 -12.136 -4.665 1.211 1.00 0.00 O ATOM 205 CB SER A 13 -13.448 -2.311 1.523 1.00 0.00 C ATOM 206 OG SER A 13 -14.186 -1.562 2.472 1.00 0.00 O ATOM 0 H SER A 13 -10.495 -0.914 1.580 1.00 0.00 H new ATOM 0 HA SER A 13 -11.850 -2.066 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.557 -1.861 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.852 -3.322 1.459 1.00 0.00 H new ATOM 0 HG SER A 13 -15.129 -1.537 2.207 1.00 0.00 H new ATOM 212 N GLY A 14 -10.238 -4.038 2.243 1.00 0.00 N ATOM 213 CA GLY A 14 -9.652 -5.362 2.157 1.00 0.00 C ATOM 214 C GLY A 14 -9.182 -5.877 3.503 1.00 0.00 C ATOM 215 O GLY A 14 -9.675 -5.445 4.545 1.00 0.00 O ATOM 0 H GLY A 14 -9.651 -3.338 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.385 -6.054 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.809 -5.339 1.466 1.00 0.00 H new ATOM 219 N VAL A 15 -8.230 -6.802 3.481 1.00 0.00 N ATOM 220 CA VAL A 15 -7.696 -7.375 4.710 1.00 0.00 C ATOM 221 C VAL A 15 -6.173 -7.361 4.710 1.00 0.00 C ATOM 222 O VAL A 15 -5.540 -7.202 3.664 1.00 0.00 O ATOM 223 CB VAL A 15 -8.184 -8.821 4.914 1.00 0.00 C ATOM 224 CG1 VAL A 15 -7.525 -9.439 6.139 1.00 0.00 C ATOM 225 CG2 VAL A 15 -9.698 -8.864 5.035 1.00 0.00 C ATOM 0 H VAL A 15 -7.812 -7.171 2.627 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.061 -6.756 5.530 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.898 -9.407 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.882 -10.461 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.443 -9.446 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.777 -8.853 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.022 -9.895 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.012 -8.263 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.147 -8.466 4.125 1.00 0.00 H new ATOM 235 N CYS A 16 -5.587 -7.531 5.892 1.00 0.00 N ATOM 236 CA CYS A 16 -4.134 -7.542 6.034 1.00 0.00 C ATOM 237 C CYS A 16 -3.694 -8.700 6.924 1.00 0.00 C ATOM 238 O CYS A 16 -3.978 -8.718 8.121 1.00 0.00 O ATOM 239 CB CYS A 16 -3.647 -6.216 6.621 1.00 0.00 C ATOM 240 SG CYS A 16 -3.613 -4.841 5.427 1.00 0.00 S ATOM 0 H CYS A 16 -6.096 -7.663 6.766 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.693 -7.673 5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.292 -5.942 7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.645 -6.357 7.025 1.00 0.00 H new ATOM 245 N ARG A 17 -2.998 -9.665 6.332 1.00 0.00 N ATOM 246 CA ARG A 17 -2.522 -10.828 7.075 1.00 0.00 C ATOM 247 C ARG A 17 -0.999 -10.884 7.086 1.00 0.00 C ATOM 248 O ARG A 17 -0.336 -10.173 6.333 1.00 0.00 O ATOM 249 CB ARG A 17 -3.087 -12.114 6.468 1.00 0.00 C ATOM 250 CG ARG A 17 -3.804 -11.899 5.144 1.00 0.00 C ATOM 251 CD ARG A 17 -5.224 -12.436 5.186 1.00 0.00 C ATOM 252 NE ARG A 17 -5.944 -11.985 6.375 1.00 0.00 N ATOM 253 CZ ARG A 17 -6.759 -12.762 7.080 1.00 0.00 C ATOM 254 NH1 ARG A 17 -6.956 -14.023 6.716 1.00 0.00 N ATOM 255 NH2 ARG A 17 -7.378 -12.281 8.150 1.00 0.00 N ATOM 0 H ARG A 17 -2.751 -9.666 5.342 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.870 -10.736 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.273 -12.824 6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.780 -12.567 7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.823 -10.835 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.251 -12.393 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.760 -12.114 4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.200 -13.526 5.168 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.814 -11.021 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.481 -14.397 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.582 -14.618 7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.229 -11.313 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.003 -12.880 8.690 1.00 0.00 H new ATOM 269 N ASP A 18 -0.448 -11.734 7.948 1.00 0.00 N ATOM 270 CA ASP A 18 0.998 -11.881 8.055 1.00 0.00 C ATOM 271 C ASP A 18 1.607 -12.261 6.708 1.00 0.00 C ATOM 272 O ASP A 18 1.327 -13.332 6.172 1.00 0.00 O ATOM 273 CB ASP A 18 1.349 -12.937 9.105 1.00 0.00 C ATOM 274 CG ASP A 18 0.209 -13.907 9.351 1.00 0.00 C ATOM 275 OD1 ASP A 18 -0.395 -14.375 8.364 1.00 0.00 O ATOM 276 OD2 ASP A 18 -0.076 -14.198 10.532 1.00 0.00 O ATOM 0 H ASP A 18 -0.981 -12.330 8.581 1.00 0.00 H new ATOM 0 HA ASP A 18 1.414 -10.922 8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.230 -13.490 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.611 -12.443 10.041 1.00 0.00 H new ATOM 281 N LYS A 19 2.438 -11.375 6.169 1.00 0.00 N ATOM 282 CA LYS A 19 3.086 -11.617 4.884 1.00 0.00 C ATOM 283 C LYS A 19 3.342 -13.106 4.670 1.00 0.00 C ATOM 284 O LYS A 19 3.224 -13.611 3.553 1.00 0.00 O ATOM 285 CB LYS A 19 4.403 -10.846 4.804 1.00 0.00 C ATOM 286 CG LYS A 19 4.375 -9.694 3.813 1.00 0.00 C ATOM 287 CD LYS A 19 5.212 -9.995 2.581 1.00 0.00 C ATOM 288 CE LYS A 19 4.353 -10.503 1.435 1.00 0.00 C ATOM 289 NZ LYS A 19 3.939 -9.404 0.520 1.00 0.00 N ATOM 0 H LYS A 19 2.679 -10.483 6.601 1.00 0.00 H new ATOM 0 HA LYS A 19 2.417 -11.268 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.648 -10.458 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.201 -11.534 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.346 -9.495 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.748 -8.790 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.740 -9.094 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.969 -10.739 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.907 -11.254 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.467 -10.994 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.355 -9.793 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.389 -8.699 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.784 -8.951 0.117 1.00 0.00 H new ATOM 303 N SER A 20 3.693 -13.801 5.745 1.00 0.00 N ATOM 304 CA SER A 20 3.969 -15.232 5.674 1.00 0.00 C ATOM 305 C SER A 20 2.673 -16.034 5.623 1.00 0.00 C ATOM 306 O SER A 20 2.652 -17.221 5.954 1.00 0.00 O ATOM 307 CB SER A 20 4.800 -15.667 6.879 1.00 0.00 C ATOM 308 OG SER A 20 5.998 -16.303 6.471 1.00 0.00 O ATOM 0 H SER A 20 3.793 -13.398 6.677 1.00 0.00 H new ATOM 0 HA SER A 20 4.531 -15.425 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.037 -14.798 7.493 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.217 -16.347 7.500 1.00 0.00 H new ATOM 0 HG SER A 20 6.512 -16.570 7.261 1.00 0.00 H new ATOM 314 N GLU A 21 1.595 -15.380 5.210 1.00 0.00 N ATOM 315 CA GLU A 21 0.300 -16.025 5.116 1.00 0.00 C ATOM 316 C GLU A 21 0.125 -16.701 3.769 1.00 0.00 C ATOM 317 O GLU A 21 0.732 -16.312 2.772 1.00 0.00 O ATOM 318 CB GLU A 21 -0.821 -15.011 5.330 1.00 0.00 C ATOM 319 CG GLU A 21 -1.897 -15.489 6.292 1.00 0.00 C ATOM 320 CD GLU A 21 -3.265 -15.571 5.642 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.688 -14.572 5.023 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.911 -16.633 5.751 1.00 0.00 O ATOM 0 H GLU A 21 1.597 -14.398 4.934 1.00 0.00 H new ATOM 0 HA GLU A 21 0.250 -16.784 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.393 -14.083 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.281 -14.781 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.623 -16.470 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.944 -14.812 7.145 1.00 0.00 H new ATOM 329 N ARG A 22 -0.710 -17.720 3.761 1.00 0.00 N ATOM 330 CA ARG A 22 -0.993 -18.483 2.561 1.00 0.00 C ATOM 331 C ARG A 22 -2.371 -18.136 2.007 1.00 0.00 C ATOM 332 O ARG A 22 -2.705 -18.492 0.878 1.00 0.00 O ATOM 333 CB ARG A 22 -0.921 -19.971 2.887 1.00 0.00 C ATOM 334 CG ARG A 22 0.439 -20.586 2.609 1.00 0.00 C ATOM 335 CD ARG A 22 0.360 -21.656 1.534 1.00 0.00 C ATOM 336 NE ARG A 22 -0.624 -22.686 1.856 1.00 0.00 N ATOM 337 CZ ARG A 22 -0.586 -23.920 1.366 1.00 0.00 C ATOM 338 NH1 ARG A 22 0.385 -24.276 0.535 1.00 0.00 N ATOM 339 NH2 ARG A 22 -1.516 -24.801 1.706 1.00 0.00 N ATOM 0 H ARG A 22 -1.213 -18.044 4.587 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.252 -18.234 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.169 -20.117 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.676 -20.499 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.134 -19.807 2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.837 -21.020 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.102 -21.194 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.340 -22.117 1.409 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.383 -22.444 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.104 -23.602 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.413 -25.224 0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.264 -24.532 2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.484 -25.748 1.328 1.00 0.00 H new ATOM 353 N ASN A 23 -3.166 -17.444 2.815 1.00 0.00 N ATOM 354 CA ASN A 23 -4.511 -17.048 2.411 1.00 0.00 C ATOM 355 C ASN A 23 -4.639 -15.531 2.351 1.00 0.00 C ATOM 356 O ASN A 23 -5.320 -14.923 3.176 1.00 0.00 O ATOM 357 CB ASN A 23 -5.545 -17.622 3.381 1.00 0.00 C ATOM 358 CG ASN A 23 -6.948 -17.607 2.806 1.00 0.00 C ATOM 359 OD1 ASN A 23 -7.921 -17.371 3.523 1.00 0.00 O ATOM 360 ND2 ASN A 23 -7.058 -17.858 1.507 1.00 0.00 N ATOM 0 H ASN A 23 -2.903 -17.145 3.754 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.696 -17.447 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.271 -18.646 3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.529 -17.047 4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.977 -17.860 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.224 -18.048 0.952 1.00 0.00 H new ATOM 367 N CYS A 24 -3.979 -14.925 1.372 1.00 0.00 N ATOM 368 CA CYS A 24 -4.019 -13.475 1.207 1.00 0.00 C ATOM 369 C CYS A 24 -4.148 -13.097 -0.265 1.00 0.00 C ATOM 370 O CYS A 24 -3.168 -12.716 -0.905 1.00 0.00 O ATOM 371 CB CYS A 24 -2.760 -12.839 1.799 1.00 0.00 C ATOM 372 SG CYS A 24 -2.981 -11.107 2.328 1.00 0.00 S ATOM 0 H CYS A 24 -3.410 -15.413 0.680 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.893 -13.099 1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.435 -13.431 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.961 -12.883 1.059 1.00 0.00 H new ATOM 377 N LYS A 25 -5.361 -13.201 -0.796 1.00 0.00 N ATOM 378 CA LYS A 25 -5.613 -12.863 -2.191 1.00 0.00 C ATOM 379 C LYS A 25 -4.887 -11.577 -2.572 1.00 0.00 C ATOM 380 O LYS A 25 -5.304 -10.482 -2.197 1.00 0.00 O ATOM 381 CB LYS A 25 -7.115 -12.713 -2.442 1.00 0.00 C ATOM 382 CG LYS A 25 -7.895 -14.002 -2.242 1.00 0.00 C ATOM 383 CD LYS A 25 -9.365 -13.728 -1.966 1.00 0.00 C ATOM 384 CE LYS A 25 -10.265 -14.529 -2.891 1.00 0.00 C ATOM 385 NZ LYS A 25 -9.794 -14.483 -4.303 1.00 0.00 N ATOM 0 H LYS A 25 -6.184 -13.516 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.233 -13.674 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.513 -11.950 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.271 -12.357 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.801 -14.627 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.466 -14.563 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.594 -13.976 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.567 -12.664 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.301 -15.565 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.282 -14.140 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.612 -14.533 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.278 -13.595 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.163 -15.289 -4.485 1.00 0.00 H new ATOM 399 N PRO A 26 -3.784 -11.701 -3.322 1.00 0.00 N ATOM 400 CA PRO A 26 -2.985 -10.553 -3.756 1.00 0.00 C ATOM 401 C PRO A 26 -3.842 -9.410 -4.292 1.00 0.00 C ATOM 402 O PRO A 26 -4.260 -9.425 -5.450 1.00 0.00 O ATOM 403 CB PRO A 26 -2.117 -11.139 -4.869 1.00 0.00 C ATOM 404 CG PRO A 26 -1.951 -12.571 -4.498 1.00 0.00 C ATOM 405 CD PRO A 26 -3.225 -12.978 -3.804 1.00 0.00 C ATOM 0 HA PRO A 26 -2.419 -10.114 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.596 -11.034 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.155 -10.631 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.777 -13.184 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.091 -12.706 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.909 -13.482 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.031 -13.666 -2.981 1.00 0.00 H new ATOM 413 N MET A 27 -4.093 -8.417 -3.442 1.00 0.00 N ATOM 414 CA MET A 27 -4.895 -7.264 -3.835 1.00 0.00 C ATOM 415 C MET A 27 -4.000 -6.076 -4.174 1.00 0.00 C ATOM 416 O MET A 27 -3.608 -5.309 -3.295 1.00 0.00 O ATOM 417 CB MET A 27 -5.865 -6.884 -2.715 1.00 0.00 C ATOM 418 CG MET A 27 -7.278 -6.607 -3.202 1.00 0.00 C ATOM 419 SD MET A 27 -7.733 -7.614 -4.627 1.00 0.00 S ATOM 420 CE MET A 27 -8.991 -6.587 -5.380 1.00 0.00 C ATOM 0 H MET A 27 -3.754 -8.388 -2.481 1.00 0.00 H new ATOM 0 HA MET A 27 -5.467 -7.533 -4.723 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.894 -7.690 -1.982 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.486 -6.000 -2.202 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.981 -6.795 -2.390 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.368 -5.553 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.744 -7.220 -5.850 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.462 -5.970 -4.615 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.534 -5.945 -6.133 1.00 0.00 H new ATOM 430 N ALA A 28 -3.675 -5.935 -5.455 1.00 0.00 N ATOM 431 CA ALA A 28 -2.822 -4.846 -5.912 1.00 0.00 C ATOM 432 C ALA A 28 -3.404 -3.491 -5.530 1.00 0.00 C ATOM 433 O ALA A 28 -4.425 -3.410 -4.850 1.00 0.00 O ATOM 434 CB ALA A 28 -2.625 -4.930 -7.419 1.00 0.00 C ATOM 0 H ALA A 28 -3.990 -6.562 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.854 -4.946 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.986 -4.111 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.156 -5.881 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.592 -4.859 -7.917 1.00 0.00 H new ATOM 440 N TRP A 29 -2.747 -2.434 -5.986 1.00 0.00 N ATOM 441 CA TRP A 29 -3.186 -1.078 -5.710 1.00 0.00 C ATOM 442 C TRP A 29 -3.736 -0.951 -4.295 1.00 0.00 C ATOM 443 O TRP A 29 -4.944 -0.831 -4.093 1.00 0.00 O ATOM 444 CB TRP A 29 -4.240 -0.661 -6.729 1.00 0.00 C ATOM 445 CG TRP A 29 -3.817 -0.904 -8.146 1.00 0.00 C ATOM 446 CD1 TRP A 29 -4.501 -1.602 -9.101 1.00 0.00 C ATOM 447 CD2 TRP A 29 -2.611 -0.451 -8.765 1.00 0.00 C ATOM 448 NE1 TRP A 29 -3.793 -1.605 -10.278 1.00 0.00 N ATOM 449 CE2 TRP A 29 -2.627 -0.905 -10.097 1.00 0.00 C ATOM 450 CE3 TRP A 29 -1.517 0.299 -8.323 1.00 0.00 C ATOM 451 CZ2 TRP A 29 -1.595 -0.634 -10.990 1.00 0.00 C ATOM 452 CZ3 TRP A 29 -0.492 0.566 -9.210 1.00 0.00 C ATOM 453 CH2 TRP A 29 -0.536 0.102 -10.529 1.00 0.00 C ATOM 0 H TRP A 29 -1.901 -2.493 -6.553 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.324 -0.415 -5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.163 -1.207 -6.533 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.463 0.398 -6.599 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.458 -2.081 -8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.086 -2.054 -11.145 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.474 0.663 -7.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.628 -0.991 -12.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.359 1.143 -8.879 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.282 0.329 -11.197 1.00 0.00 H new ATOM 464 N THR A 30 -2.835 -0.971 -3.319 1.00 0.00 N ATOM 465 CA THR A 30 -3.223 -0.853 -1.918 1.00 0.00 C ATOM 466 C THR A 30 -2.122 -1.375 -0.999 1.00 0.00 C ATOM 467 O THR A 30 -1.513 -2.410 -1.267 1.00 0.00 O ATOM 468 CB THR A 30 -4.521 -1.618 -1.659 1.00 0.00 C ATOM 469 OG1 THR A 30 -4.644 -1.944 -0.286 1.00 0.00 O ATOM 470 CG2 THR A 30 -4.623 -2.903 -2.447 1.00 0.00 C ATOM 0 H THR A 30 -1.831 -1.068 -3.472 1.00 0.00 H new ATOM 0 HA THR A 30 -3.381 0.204 -1.702 1.00 0.00 H new ATOM 0 HB THR A 30 -5.321 -0.950 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.697 -2.917 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.567 -3.397 -2.217 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.580 -2.680 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.795 -3.560 -2.180 1.00 0.00 H new ATOM 478 N TYR A 31 -1.877 -0.652 0.090 1.00 0.00 N ATOM 479 CA TYR A 31 -0.855 -1.040 1.051 1.00 0.00 C ATOM 480 C TYR A 31 -1.485 -1.407 2.392 1.00 0.00 C ATOM 481 O TYR A 31 -2.637 -1.069 2.660 1.00 0.00 O ATOM 482 CB TYR A 31 0.154 0.094 1.243 1.00 0.00 C ATOM 483 CG TYR A 31 -0.443 1.342 1.853 1.00 0.00 C ATOM 484 CD1 TYR A 31 -1.106 2.275 1.066 1.00 0.00 C ATOM 485 CD2 TYR A 31 -0.347 1.585 3.217 1.00 0.00 C ATOM 486 CE1 TYR A 31 -1.652 3.417 1.620 1.00 0.00 C ATOM 487 CE2 TYR A 31 -0.893 2.724 3.779 1.00 0.00 C ATOM 488 CZ TYR A 31 -1.545 3.637 2.977 1.00 0.00 C ATOM 489 OH TYR A 31 -2.089 4.771 3.532 1.00 0.00 O ATOM 0 H TYR A 31 -2.374 0.206 0.327 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.336 -1.915 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.966 -0.258 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.592 0.346 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.196 2.105 0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.162 0.873 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.160 4.134 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.809 2.898 4.842 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.813 4.521 4.143 1.00 0.00 H new ATOM 499 N CYS A 32 -0.724 -2.107 3.227 1.00 0.00 N ATOM 500 CA CYS A 32 -1.209 -2.522 4.536 1.00 0.00 C ATOM 501 C CYS A 32 -0.693 -1.591 5.629 1.00 0.00 C ATOM 502 O CYS A 32 0.130 -0.712 5.372 1.00 0.00 O ATOM 503 CB CYS A 32 -0.772 -3.958 4.824 1.00 0.00 C ATOM 504 SG CYS A 32 -1.972 -5.223 4.295 1.00 0.00 S ATOM 0 H CYS A 32 0.231 -2.398 3.019 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.298 -2.472 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.179 -4.144 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.596 -4.065 5.894 1.00 0.00 H new ATOM 509 N GLU A 33 -1.180 -1.791 6.849 1.00 0.00 N ATOM 510 CA GLU A 33 -0.765 -0.971 7.981 1.00 0.00 C ATOM 511 C GLU A 33 0.603 -1.406 8.493 1.00 0.00 C ATOM 512 O GLU A 33 1.361 -0.601 9.034 1.00 0.00 O ATOM 513 CB GLU A 33 -1.795 -1.059 9.108 1.00 0.00 C ATOM 514 CG GLU A 33 -3.086 -0.314 8.812 1.00 0.00 C ATOM 515 CD GLU A 33 -4.320 -1.102 9.206 1.00 0.00 C ATOM 516 OE1 GLU A 33 -4.805 -1.900 8.376 1.00 0.00 O ATOM 517 OE2 GLU A 33 -4.798 -0.924 10.346 1.00 0.00 O ATOM 0 H GLU A 33 -1.862 -2.514 7.079 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.696 0.063 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.026 -2.107 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.356 -0.659 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.082 0.637 9.344 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.132 -0.083 7.748 1.00 0.00 H new ATOM 524 N ASN A 34 0.913 -2.687 8.318 1.00 0.00 N ATOM 525 CA ASN A 34 2.190 -3.233 8.762 1.00 0.00 C ATOM 526 C ASN A 34 3.137 -3.423 7.581 1.00 0.00 C ATOM 527 O ASN A 34 2.779 -4.040 6.579 1.00 0.00 O ATOM 528 CB ASN A 34 1.976 -4.567 9.477 1.00 0.00 C ATOM 529 CG ASN A 34 2.877 -4.727 10.686 1.00 0.00 C ATOM 530 OD1 ASN A 34 2.779 -5.708 11.424 1.00 0.00 O ATOM 531 ND2 ASN A 34 3.764 -3.760 10.895 1.00 0.00 N ATOM 0 H ASN A 34 0.297 -3.366 7.872 1.00 0.00 H new ATOM 0 HA ASN A 34 2.640 -2.524 9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.935 -4.645 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.161 -5.384 8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.398 -3.813 11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.811 -2.965 10.258 1.00 0.00 H new ATOM 538 N ARG A 35 4.347 -2.888 7.709 1.00 0.00 N ATOM 539 CA ARG A 35 5.346 -3.000 6.653 1.00 0.00 C ATOM 540 C ARG A 35 5.732 -4.456 6.418 1.00 0.00 C ATOM 541 O ARG A 35 6.707 -4.746 5.725 1.00 0.00 O ATOM 542 CB ARG A 35 6.589 -2.183 7.012 1.00 0.00 C ATOM 543 CG ARG A 35 7.009 -1.206 5.927 1.00 0.00 C ATOM 544 CD ARG A 35 8.522 -1.103 5.822 1.00 0.00 C ATOM 545 NE ARG A 35 8.960 0.252 5.501 1.00 0.00 N ATOM 546 CZ ARG A 35 10.097 0.529 4.871 1.00 0.00 C ATOM 547 NH1 ARG A 35 10.908 -0.453 4.499 1.00 0.00 N ATOM 548 NH2 ARG A 35 10.425 1.788 4.612 1.00 0.00 N ATOM 0 H ARG A 35 4.659 -2.373 8.533 1.00 0.00 H new ATOM 0 HA ARG A 35 4.912 -2.607 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.397 -1.631 7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.415 -2.864 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.598 -1.526 4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.591 -0.222 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.972 -1.415 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.879 -1.790 5.055 1.00 0.00 H new ATOM 0 HE ARG A 35 8.360 1.030 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.659 -1.422 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.780 -0.239 4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.804 2.546 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.298 1.998 4.128 1.00 0.00 H new ATOM 562 N ASN A 36 4.962 -5.369 7.002 1.00 0.00 N ATOM 563 CA ASN A 36 5.227 -6.795 6.859 1.00 0.00 C ATOM 564 C ASN A 36 3.939 -7.561 6.578 1.00 0.00 C ATOM 565 O ASN A 36 3.958 -8.775 6.373 1.00 0.00 O ATOM 566 CB ASN A 36 5.885 -7.333 8.128 1.00 0.00 C ATOM 567 CG ASN A 36 6.583 -8.660 7.900 1.00 0.00 C ATOM 568 OD1 ASN A 36 7.079 -9.281 8.840 1.00 0.00 O ATOM 569 ND2 ASN A 36 6.625 -9.099 6.650 1.00 0.00 N ATOM 0 H ASN A 36 4.150 -5.146 7.578 1.00 0.00 H new ATOM 0 HA ASN A 36 5.902 -6.935 6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.607 -6.604 8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.129 -7.452 8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.082 -9.985 6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.200 -8.550 5.902 1.00 0.00 H new ATOM 576 N GLN A 37 2.819 -6.845 6.577 1.00 0.00 N ATOM 577 CA GLN A 37 1.520 -7.458 6.326 1.00 0.00 C ATOM 578 C GLN A 37 1.068 -7.222 4.889 1.00 0.00 C ATOM 579 O GLN A 37 1.330 -6.167 4.309 1.00 0.00 O ATOM 580 CB GLN A 37 0.481 -6.904 7.302 1.00 0.00 C ATOM 581 CG GLN A 37 -0.416 -7.973 7.907 1.00 0.00 C ATOM 582 CD GLN A 37 -1.363 -7.419 8.953 1.00 0.00 C ATOM 583 OE1 GLN A 37 -2.290 -6.672 8.636 1.00 0.00 O ATOM 584 NE2 GLN A 37 -1.133 -7.781 10.209 1.00 0.00 N ATOM 0 H GLN A 37 2.785 -5.840 6.747 1.00 0.00 H new ATOM 0 HA GLN A 37 1.617 -8.533 6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.995 -6.375 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.139 -6.172 6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.994 -8.448 7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.203 -8.749 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.353 -8.402 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.736 -7.438 10.957 1.00 0.00 H new ATOM 593 N LYS A 38 0.387 -8.213 4.321 1.00 0.00 N ATOM 594 CA LYS A 38 -0.102 -8.124 2.952 1.00 0.00 C ATOM 595 C LYS A 38 -1.583 -7.760 2.925 1.00 0.00 C ATOM 596 O LYS A 38 -2.320 -8.041 3.871 1.00 0.00 O ATOM 597 CB LYS A 38 0.115 -9.455 2.230 1.00 0.00 C ATOM 598 CG LYS A 38 1.167 -10.335 2.885 1.00 0.00 C ATOM 599 CD LYS A 38 0.603 -11.700 3.245 1.00 0.00 C ATOM 600 CE LYS A 38 1.181 -12.792 2.357 1.00 0.00 C ATOM 601 NZ LYS A 38 0.135 -13.436 1.516 1.00 0.00 N ATOM 0 H LYS A 38 0.161 -9.090 4.791 1.00 0.00 H new ATOM 0 HA LYS A 38 0.457 -7.339 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.830 -9.998 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.409 -9.257 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.014 -10.456 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.544 -9.847 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.824 -11.923 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.482 -11.685 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.952 -12.367 1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.663 -13.547 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.583 -14.102 0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.533 -13.950 2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.377 -12.707 0.980 1.00 0.00 H new ATOM 615 N CYS A 39 -2.015 -7.137 1.833 1.00 0.00 N ATOM 616 CA CYS A 39 -3.409 -6.739 1.680 1.00 0.00 C ATOM 617 C CYS A 39 -4.107 -7.604 0.639 1.00 0.00 C ATOM 618 O CYS A 39 -3.909 -7.435 -0.567 1.00 0.00 O ATOM 619 CB CYS A 39 -3.504 -5.268 1.285 1.00 0.00 C ATOM 620 SG CYS A 39 -5.203 -4.684 0.970 1.00 0.00 S ATOM 0 H CYS A 39 -1.419 -6.897 1.041 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.908 -6.880 2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.065 -4.662 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.904 -5.105 0.390 1.00 0.00 H new ATOM 625 N CYS A 40 -4.916 -8.537 1.115 1.00 0.00 N ATOM 626 CA CYS A 40 -5.646 -9.443 0.247 1.00 0.00 C ATOM 627 C CYS A 40 -7.089 -8.985 0.069 1.00 0.00 C ATOM 628 O CYS A 40 -7.584 -8.146 0.824 1.00 0.00 O ATOM 629 CB CYS A 40 -5.612 -10.847 0.839 1.00 0.00 C ATOM 630 SG CYS A 40 -4.991 -10.920 2.548 1.00 0.00 S ATOM 0 H CYS A 40 -5.084 -8.686 2.110 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.171 -9.447 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.618 -11.265 0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.986 -11.480 0.209 1.00 0.00 H new ATOM 635 N GLU A 41 -7.761 -9.543 -0.933 1.00 0.00 N ATOM 636 CA GLU A 41 -9.151 -9.194 -1.208 1.00 0.00 C ATOM 637 C GLU A 41 -9.946 -9.074 0.090 1.00 0.00 C ATOM 638 O GLU A 41 -10.301 -7.974 0.512 1.00 0.00 O ATOM 639 CB GLU A 41 -9.790 -10.243 -2.116 1.00 0.00 C ATOM 640 CG GLU A 41 -10.428 -9.658 -3.366 1.00 0.00 C ATOM 641 CD GLU A 41 -11.434 -8.568 -3.050 1.00 0.00 C ATOM 642 OE1 GLU A 41 -12.562 -8.904 -2.631 1.00 0.00 O ATOM 643 OE2 GLU A 41 -11.094 -7.378 -3.220 1.00 0.00 O ATOM 0 H GLU A 41 -7.367 -10.238 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.166 -8.229 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.031 -10.967 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.548 -10.787 -1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.649 -9.253 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.922 -10.453 -3.924 1.00 0.00 H new ATOM 650 N TYR A 42 -10.224 -10.214 0.715 1.00 0.00 N ATOM 651 CA TYR A 42 -10.976 -10.237 1.964 1.00 0.00 C ATOM 652 C TYR A 42 -10.241 -11.045 3.028 1.00 0.00 C ATOM 653 O TYR A 42 -9.151 -11.572 2.722 1.00 0.00 O ATOM 654 CB TYR A 42 -12.368 -10.826 1.733 1.00 0.00 C ATOM 655 CG TYR A 42 -12.963 -11.475 2.962 1.00 0.00 C ATOM 656 CD1 TYR A 42 -13.288 -10.720 4.080 1.00 0.00 C ATOM 657 CD2 TYR A 42 -13.201 -12.844 3.003 1.00 0.00 C ATOM 658 CE1 TYR A 42 -13.831 -11.310 5.207 1.00 0.00 C ATOM 659 CE2 TYR A 42 -13.745 -13.441 4.124 1.00 0.00 C ATOM 660 CZ TYR A 42 -14.057 -12.670 5.223 1.00 0.00 C ATOM 661 OH TYR A 42 -14.599 -13.260 6.341 1.00 0.00 O ATOM 662 OXT TYR A 42 -10.762 -11.145 4.159 1.00 0.00 O ATOM 0 H TYR A 42 -9.940 -11.133 0.377 1.00 0.00 H new ATOM 0 HA TYR A 42 -11.076 -9.211 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.036 -10.035 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.313 -11.565 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -13.114 -9.654 4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.957 -13.451 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.077 -10.709 6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.925 -14.506 4.139 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.695 -14.223 6.189 1.00 0.00 H new