USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 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 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=0.14) USER MOD Single : A 13 SER OG : rot -62:sc= 0.718 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= -2.4! K(o=-2.4!,f=-0.37) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -0.259 (180deg=-0.748) USER MOD Single : A 27 MET CE :methyl -127:sc= -4.98! (180deg=-11.2!) USER MOD Single : A 30 THR OG1 : rot -137:sc= -2.77! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= -5.78! C(o=-5.8!,f=-6.8!) USER MOD Single : A 37 GLN : amide:sc= -6.35! C(o=-6.3!,f=-8.2!) USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= -2.19! (180deg=-4.39!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLN A 7 -2.687 2.185 -2.068 1.00 0.00 N ATOM 112 CA GLN A 7 -3.902 2.784 -1.528 1.00 0.00 C ATOM 113 C GLN A 7 -4.341 2.064 -0.258 1.00 0.00 C ATOM 114 O GLN A 7 -4.511 0.846 -0.250 1.00 0.00 O ATOM 115 CB GLN A 7 -5.023 2.741 -2.568 1.00 0.00 C ATOM 116 CG GLN A 7 -4.945 3.860 -3.592 1.00 0.00 C ATOM 117 CD GLN A 7 -6.307 4.262 -4.121 1.00 0.00 C ATOM 118 OE1 GLN A 7 -6.700 5.426 -4.038 1.00 0.00 O ATOM 119 NE2 GLN A 7 -7.039 3.299 -4.668 1.00 0.00 N ATOM 0 HA GLN A 7 -3.688 3.824 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.990 1.783 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.984 2.794 -2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.464 4.728 -3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.315 3.543 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.675 2.347 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.965 3.511 -5.040 1.00 0.00 H new ATOM 128 N ALA A 8 -4.519 2.827 0.817 1.00 0.00 N ATOM 129 CA ALA A 8 -4.936 2.259 2.093 1.00 0.00 C ATOM 130 C ALA A 8 -5.781 1.007 1.890 1.00 0.00 C ATOM 131 O ALA A 8 -6.855 1.062 1.290 1.00 0.00 O ATOM 132 CB ALA A 8 -5.706 3.289 2.904 1.00 0.00 C ATOM 0 H ALA A 8 -4.381 3.838 0.829 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.039 1.975 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.011 2.850 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.070 4.154 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.590 3.602 2.349 1.00 0.00 H new ATOM 138 N CYS A 9 -5.294 -0.119 2.398 1.00 0.00 N ATOM 139 CA CYS A 9 -6.007 -1.383 2.274 1.00 0.00 C ATOM 140 C CYS A 9 -7.501 -1.182 2.493 1.00 0.00 C ATOM 141 O CYS A 9 -8.323 -1.916 1.945 1.00 0.00 O ATOM 142 CB CYS A 9 -5.465 -2.398 3.281 1.00 0.00 C ATOM 143 SG CYS A 9 -5.886 -4.128 2.895 1.00 0.00 S ATOM 0 H CYS A 9 -4.408 -0.182 2.900 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.851 -1.765 1.265 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.380 -2.302 3.330 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.851 -2.154 4.271 1.00 0.00 H new ATOM 148 N TRP A 10 -7.845 -0.183 3.297 1.00 0.00 N ATOM 149 CA TRP A 10 -9.240 0.119 3.592 1.00 0.00 C ATOM 150 C TRP A 10 -9.922 0.761 2.391 1.00 0.00 C ATOM 151 O TRP A 10 -11.073 0.453 2.078 1.00 0.00 O ATOM 152 CB TRP A 10 -9.330 1.052 4.797 1.00 0.00 C ATOM 153 CG TRP A 10 -8.001 1.577 5.242 1.00 0.00 C ATOM 154 CD1 TRP A 10 -6.991 0.881 5.841 1.00 0.00 C ATOM 155 CD2 TRP A 10 -7.546 2.918 5.117 1.00 0.00 C ATOM 156 NE1 TRP A 10 -5.931 1.721 6.095 1.00 0.00 N ATOM 157 CE2 TRP A 10 -6.250 2.980 5.657 1.00 0.00 C ATOM 158 CE3 TRP A 10 -8.118 4.072 4.594 1.00 0.00 C ATOM 159 CZ2 TRP A 10 -5.517 4.163 5.691 1.00 0.00 C ATOM 160 CZ3 TRP A 10 -7.392 5.248 4.623 1.00 0.00 C ATOM 161 CH2 TRP A 10 -6.102 5.286 5.169 1.00 0.00 C ATOM 0 H TRP A 10 -7.175 0.433 3.757 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.750 -0.817 3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -9.980 1.891 4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.798 0.520 5.625 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -7.020 -0.172 6.080 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.052 1.451 6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.112 4.050 4.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.524 4.194 6.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -7.825 6.151 4.219 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -5.558 6.219 5.178 1.00 0.00 H new ATOM 172 N SER A 11 -9.206 1.661 1.724 1.00 0.00 N ATOM 173 CA SER A 11 -9.742 2.353 0.557 1.00 0.00 C ATOM 174 C SER A 11 -10.414 1.375 -0.401 1.00 0.00 C ATOM 175 O SER A 11 -11.404 1.711 -1.051 1.00 0.00 O ATOM 176 CB SER A 11 -8.625 3.108 -0.166 1.00 0.00 C ATOM 177 OG SER A 11 -9.042 3.523 -1.456 1.00 0.00 O ATOM 0 H SER A 11 -8.253 1.928 1.972 1.00 0.00 H new ATOM 0 HA SER A 11 -10.493 3.064 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.330 3.977 0.422 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.746 2.469 -0.252 1.00 0.00 H new ATOM 0 HG SER A 11 -8.311 4.004 -1.897 1.00 0.00 H new ATOM 183 N HIS A 12 -9.868 0.166 -0.488 1.00 0.00 N ATOM 184 CA HIS A 12 -10.416 -0.858 -1.372 1.00 0.00 C ATOM 185 C HIS A 12 -11.055 -1.990 -0.571 1.00 0.00 C ATOM 186 O HIS A 12 -11.137 -3.125 -1.039 1.00 0.00 O ATOM 187 CB HIS A 12 -9.319 -1.417 -2.280 1.00 0.00 C ATOM 188 CG HIS A 12 -9.102 -0.608 -3.522 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.114 0.080 -4.158 1.00 0.00 N ATOM 190 CD2 HIS A 12 -7.981 -0.378 -4.246 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.625 0.697 -5.220 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.333 0.435 -5.294 1.00 0.00 N ATOM 0 H HIS A 12 -9.048 -0.129 0.042 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.188 -0.394 -1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.385 -1.466 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.576 -2.438 -2.561 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.994 -0.763 -4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.186 1.310 -5.909 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.699 0.781 -6.014 1.00 0.00 H new ATOM 201 N SER A 13 -11.510 -1.672 0.637 1.00 0.00 N ATOM 202 CA SER A 13 -12.145 -2.661 1.501 1.00 0.00 C ATOM 203 C SER A 13 -11.419 -4.001 1.418 1.00 0.00 C ATOM 204 O SER A 13 -11.917 -4.951 0.814 1.00 0.00 O ATOM 205 CB SER A 13 -13.613 -2.838 1.115 1.00 0.00 C ATOM 206 OG SER A 13 -14.169 -3.986 1.731 1.00 0.00 O ATOM 0 H SER A 13 -11.451 -0.737 1.040 1.00 0.00 H new ATOM 0 HA SER A 13 -12.088 -2.300 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.178 -1.954 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.699 -2.925 0.032 1.00 0.00 H new ATOM 0 HG SER A 13 -13.692 -4.785 1.424 1.00 0.00 H new ATOM 212 N GLY A 14 -10.242 -4.069 2.030 1.00 0.00 N ATOM 213 CA GLY A 14 -9.466 -5.296 2.014 1.00 0.00 C ATOM 214 C GLY A 14 -9.061 -5.742 3.406 1.00 0.00 C ATOM 215 O GLY A 14 -9.675 -5.344 4.395 1.00 0.00 O ATOM 0 H GLY A 14 -9.811 -3.296 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.048 -6.085 1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.572 -5.149 1.408 1.00 0.00 H new ATOM 219 N VAL A 15 -8.025 -6.570 3.481 1.00 0.00 N ATOM 220 CA VAL A 15 -7.541 -7.071 4.763 1.00 0.00 C ATOM 221 C VAL A 15 -6.017 -7.113 4.798 1.00 0.00 C ATOM 222 O VAL A 15 -5.354 -6.836 3.797 1.00 0.00 O ATOM 223 CB VAL A 15 -8.090 -8.478 5.063 1.00 0.00 C ATOM 224 CG1 VAL A 15 -7.586 -8.973 6.409 1.00 0.00 C ATOM 225 CG2 VAL A 15 -9.611 -8.476 5.022 1.00 0.00 C ATOM 0 H VAL A 15 -7.505 -6.908 2.671 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.900 -6.381 5.526 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.729 -9.161 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.985 -9.969 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.497 -9.014 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.914 -8.291 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.982 -9.478 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.994 -7.780 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.948 -8.168 4.032 1.00 0.00 H new ATOM 235 N CYS A 16 -5.465 -7.461 5.957 1.00 0.00 N ATOM 236 CA CYS A 16 -4.020 -7.539 6.125 1.00 0.00 C ATOM 237 C CYS A 16 -3.629 -8.782 6.916 1.00 0.00 C ATOM 238 O CYS A 16 -3.998 -8.931 8.080 1.00 0.00 O ATOM 239 CB CYS A 16 -3.500 -6.287 6.833 1.00 0.00 C ATOM 240 SG CYS A 16 -3.271 -4.852 5.734 1.00 0.00 S ATOM 0 H CYS A 16 -5.999 -7.694 6.794 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.568 -7.604 5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.196 -6.016 7.627 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.548 -6.521 7.310 1.00 0.00 H new ATOM 245 N ARG A 17 -2.882 -9.674 6.274 1.00 0.00 N ATOM 246 CA ARG A 17 -2.441 -10.907 6.916 1.00 0.00 C ATOM 247 C ARG A 17 -0.927 -11.065 6.817 1.00 0.00 C ATOM 248 O ARG A 17 -0.284 -10.457 5.963 1.00 0.00 O ATOM 249 CB ARG A 17 -3.130 -12.114 6.279 1.00 0.00 C ATOM 250 CG ARG A 17 -4.072 -11.745 5.146 1.00 0.00 C ATOM 251 CD ARG A 17 -5.509 -11.639 5.630 1.00 0.00 C ATOM 252 NE ARG A 17 -6.387 -12.595 4.958 1.00 0.00 N ATOM 253 CZ ARG A 17 -7.468 -13.121 5.521 1.00 0.00 C ATOM 254 NH1 ARG A 17 -7.803 -12.787 6.761 1.00 0.00 N ATOM 255 NH2 ARG A 17 -8.217 -13.983 4.846 1.00 0.00 N ATOM 0 H ARG A 17 -2.569 -9.566 5.309 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.715 -10.853 7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.371 -12.799 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.689 -12.650 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.763 -10.796 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.007 -12.495 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.542 -11.811 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.876 -10.627 5.457 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.156 -12.873 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.229 -12.125 7.283 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.634 -13.192 7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.963 -14.243 3.893 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.047 -14.386 5.280 1.00 0.00 H new ATOM 269 N ASP A 18 -0.363 -11.888 7.696 1.00 0.00 N ATOM 270 CA ASP A 18 1.073 -12.129 7.706 1.00 0.00 C ATOM 271 C ASP A 18 1.629 -12.128 6.286 1.00 0.00 C ATOM 272 O ASP A 18 1.067 -12.754 5.390 1.00 0.00 O ATOM 273 CB ASP A 18 1.385 -13.463 8.387 1.00 0.00 C ATOM 274 CG ASP A 18 0.771 -13.562 9.771 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.431 -13.139 10.744 1.00 0.00 O ATOM 276 OD2 ASP A 18 -0.368 -14.061 9.882 1.00 0.00 O ATOM 0 H ASP A 18 -0.881 -12.399 8.411 1.00 0.00 H new ATOM 0 HA ASP A 18 1.549 -11.325 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.013 -14.280 7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.465 -13.586 8.462 1.00 0.00 H new ATOM 281 N LYS A 19 2.734 -11.419 6.094 1.00 0.00 N ATOM 282 CA LYS A 19 3.370 -11.329 4.784 1.00 0.00 C ATOM 283 C LYS A 19 3.603 -12.716 4.190 1.00 0.00 C ATOM 284 O LYS A 19 3.877 -12.852 2.997 1.00 0.00 O ATOM 285 CB LYS A 19 4.699 -10.579 4.891 1.00 0.00 C ATOM 286 CG LYS A 19 5.776 -11.352 5.634 1.00 0.00 C ATOM 287 CD LYS A 19 5.467 -11.451 7.119 1.00 0.00 C ATOM 288 CE LYS A 19 6.526 -12.254 7.857 1.00 0.00 C ATOM 289 NZ LYS A 19 5.923 -13.277 8.754 1.00 0.00 N ATOM 0 H LYS A 19 3.210 -10.897 6.830 1.00 0.00 H new ATOM 0 HA LYS A 19 2.700 -10.780 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.057 -10.346 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.531 -9.629 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.863 -12.353 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.739 -10.862 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.405 -10.450 7.546 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.492 -11.918 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.179 -12.744 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.150 -11.579 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.678 -13.803 9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.320 -12.808 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.348 -13.937 8.191 1.00 0.00 H new ATOM 303 N SER A 20 3.492 -13.742 5.027 1.00 0.00 N ATOM 304 CA SER A 20 3.692 -15.117 4.584 1.00 0.00 C ATOM 305 C SER A 20 2.402 -15.918 4.703 1.00 0.00 C ATOM 306 O SER A 20 2.422 -17.148 4.750 1.00 0.00 O ATOM 307 CB SER A 20 4.793 -15.782 5.409 1.00 0.00 C ATOM 308 OG SER A 20 5.750 -16.410 4.574 1.00 0.00 O ATOM 0 H SER A 20 3.264 -13.647 6.017 1.00 0.00 H new ATOM 0 HA SER A 20 3.992 -15.096 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.285 -15.036 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.353 -16.519 6.081 1.00 0.00 H new ATOM 0 HG SER A 20 6.444 -16.826 5.127 1.00 0.00 H new ATOM 314 N GLU A 21 1.281 -15.210 4.753 1.00 0.00 N ATOM 315 CA GLU A 21 -0.019 -15.838 4.868 1.00 0.00 C ATOM 316 C GLU A 21 -0.291 -16.751 3.690 1.00 0.00 C ATOM 317 O GLU A 21 0.203 -16.536 2.583 1.00 0.00 O ATOM 318 CB GLU A 21 -1.117 -14.779 4.968 1.00 0.00 C ATOM 319 CG GLU A 21 -2.300 -15.206 5.821 1.00 0.00 C ATOM 320 CD GLU A 21 -3.585 -15.316 5.024 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.903 -14.370 4.275 1.00 0.00 O ATOM 322 OE2 GLU A 21 -4.274 -16.350 5.150 1.00 0.00 O ATOM 0 H GLU A 21 1.252 -14.191 4.715 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.019 -16.439 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.692 -13.865 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.471 -14.539 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.081 -16.168 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.438 -14.488 6.629 1.00 0.00 H new ATOM 329 N ARG A 22 -1.080 -17.772 3.950 1.00 0.00 N ATOM 330 CA ARG A 22 -1.445 -18.750 2.942 1.00 0.00 C ATOM 331 C ARG A 22 -2.810 -18.433 2.342 1.00 0.00 C ATOM 332 O ARG A 22 -3.194 -18.987 1.312 1.00 0.00 O ATOM 333 CB ARG A 22 -1.460 -20.141 3.565 1.00 0.00 C ATOM 334 CG ARG A 22 -0.178 -20.922 3.337 1.00 0.00 C ATOM 335 CD ARG A 22 -0.439 -22.220 2.590 1.00 0.00 C ATOM 336 NE ARG A 22 -1.832 -22.642 2.695 1.00 0.00 N ATOM 337 CZ ARG A 22 -2.305 -23.384 3.693 1.00 0.00 C ATOM 338 NH1 ARG A 22 -1.495 -23.782 4.665 1.00 0.00 N ATOM 339 NH2 ARG A 22 -3.584 -23.728 3.719 1.00 0.00 N ATOM 0 H ARG A 22 -1.488 -17.949 4.868 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.707 -18.715 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.633 -20.048 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.297 -20.705 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.525 -20.311 2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.291 -21.141 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.177 -22.092 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.208 -23.003 2.987 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.479 -22.352 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.510 -23.519 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.858 -24.351 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.209 -23.424 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.944 -24.297 4.485 1.00 0.00 H new ATOM 353 N ASN A 23 -3.540 -17.537 2.996 1.00 0.00 N ATOM 354 CA ASN A 23 -4.865 -17.142 2.532 1.00 0.00 C ATOM 355 C ASN A 23 -5.012 -15.623 2.531 1.00 0.00 C ATOM 356 O ASN A 23 -5.892 -15.074 3.191 1.00 0.00 O ATOM 357 CB ASN A 23 -5.945 -17.768 3.418 1.00 0.00 C ATOM 358 CG ASN A 23 -7.231 -18.035 2.659 1.00 0.00 C ATOM 359 OD1 ASN A 23 -8.317 -18.037 3.238 1.00 0.00 O ATOM 360 ND2 ASN A 23 -7.113 -18.260 1.355 1.00 0.00 N ATOM 0 H ASN A 23 -3.236 -17.070 3.850 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.987 -17.502 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.572 -18.703 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.153 -17.104 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.943 -18.444 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.192 -18.249 0.917 1.00 0.00 H new ATOM 367 N CYS A 24 -4.139 -14.952 1.787 1.00 0.00 N ATOM 368 CA CYS A 24 -4.169 -13.497 1.699 1.00 0.00 C ATOM 369 C CYS A 24 -4.185 -13.042 0.244 1.00 0.00 C ATOM 370 O CYS A 24 -3.187 -12.540 -0.272 1.00 0.00 O ATOM 371 CB CYS A 24 -2.958 -12.899 2.420 1.00 0.00 C ATOM 372 SG CYS A 24 -2.963 -11.077 2.495 1.00 0.00 S ATOM 0 H CYS A 24 -3.402 -15.393 1.236 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.081 -13.145 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.921 -13.294 3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.049 -13.229 1.917 1.00 0.00 H new ATOM 377 N LYS A 25 -5.327 -13.218 -0.414 1.00 0.00 N ATOM 378 CA LYS A 25 -5.472 -12.825 -1.809 1.00 0.00 C ATOM 379 C LYS A 25 -4.759 -11.503 -2.074 1.00 0.00 C ATOM 380 O LYS A 25 -5.260 -10.433 -1.727 1.00 0.00 O ATOM 381 CB LYS A 25 -6.953 -12.703 -2.178 1.00 0.00 C ATOM 382 CG LYS A 25 -7.835 -12.270 -1.018 1.00 0.00 C ATOM 383 CD LYS A 25 -8.157 -13.437 -0.097 1.00 0.00 C ATOM 384 CE LYS A 25 -9.041 -14.462 -0.785 1.00 0.00 C ATOM 385 NZ LYS A 25 -10.025 -13.824 -1.702 1.00 0.00 N ATOM 0 H LYS A 25 -6.164 -13.630 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.015 -13.597 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.058 -11.985 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.306 -13.664 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.334 -11.485 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.761 -11.843 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.231 -13.912 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.656 -13.068 0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.419 -15.158 -1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.572 -15.046 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.754 -14.517 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.473 -13.016 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.537 -13.492 -2.558 1.00 0.00 H new ATOM 399 N PRO A 26 -3.574 -11.562 -2.695 1.00 0.00 N ATOM 400 CA PRO A 26 -2.783 -10.370 -3.010 1.00 0.00 C ATOM 401 C PRO A 26 -3.543 -9.394 -3.903 1.00 0.00 C ATOM 402 O PRO A 26 -3.738 -9.647 -5.092 1.00 0.00 O ATOM 403 CB PRO A 26 -1.556 -10.924 -3.745 1.00 0.00 C ATOM 404 CG PRO A 26 -1.941 -12.301 -4.172 1.00 0.00 C ATOM 405 CD PRO A 26 -2.912 -12.796 -3.141 1.00 0.00 C ATOM 0 HA PRO A 26 -2.531 -9.805 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.299 -10.304 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.683 -10.944 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.395 -12.290 -5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.068 -12.951 -4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.623 -13.506 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.406 -13.303 -2.319 1.00 0.00 H new ATOM 413 N MET A 27 -3.967 -8.277 -3.321 1.00 0.00 N ATOM 414 CA MET A 27 -4.705 -7.261 -4.063 1.00 0.00 C ATOM 415 C MET A 27 -3.783 -6.119 -4.478 1.00 0.00 C ATOM 416 O MET A 27 -2.830 -5.789 -3.773 1.00 0.00 O ATOM 417 CB MET A 27 -5.858 -6.719 -3.217 1.00 0.00 C ATOM 418 CG MET A 27 -7.178 -7.436 -3.452 1.00 0.00 C ATOM 419 SD MET A 27 -7.733 -7.321 -5.164 1.00 0.00 S ATOM 420 CE MET A 27 -9.300 -6.480 -4.955 1.00 0.00 C ATOM 0 H MET A 27 -3.812 -8.052 -2.338 1.00 0.00 H new ATOM 0 HA MET A 27 -5.111 -7.724 -4.962 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.593 -6.800 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.987 -5.658 -3.432 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.071 -8.486 -3.178 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.939 -7.012 -2.798 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.087 -7.049 -5.450 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.528 -6.394 -3.893 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.240 -5.485 -5.395 1.00 0.00 H new ATOM 430 N ALA A 28 -4.072 -5.524 -5.631 1.00 0.00 N ATOM 431 CA ALA A 28 -3.270 -4.422 -6.144 1.00 0.00 C ATOM 432 C ALA A 28 -3.783 -3.082 -5.635 1.00 0.00 C ATOM 433 O ALA A 28 -4.790 -3.015 -4.933 1.00 0.00 O ATOM 434 CB ALA A 28 -3.269 -4.439 -7.665 1.00 0.00 C ATOM 0 H ALA A 28 -4.856 -5.788 -6.227 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.249 -4.551 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.666 -3.611 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.849 -5.381 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.291 -4.338 -8.031 1.00 0.00 H new ATOM 440 N TRP A 29 -3.087 -2.016 -6.010 1.00 0.00 N ATOM 441 CA TRP A 29 -3.466 -0.673 -5.609 1.00 0.00 C ATOM 442 C TRP A 29 -3.960 -0.649 -4.167 1.00 0.00 C ATOM 443 O TRP A 29 -5.156 -0.501 -3.910 1.00 0.00 O ATOM 444 CB TRP A 29 -4.544 -0.146 -6.550 1.00 0.00 C ATOM 445 CG TRP A 29 -4.434 -0.707 -7.934 1.00 0.00 C ATOM 446 CD1 TRP A 29 -5.401 -1.368 -8.633 1.00 0.00 C ATOM 447 CD2 TRP A 29 -3.283 -0.662 -8.783 1.00 0.00 C ATOM 448 NE1 TRP A 29 -4.923 -1.732 -9.870 1.00 0.00 N ATOM 449 CE2 TRP A 29 -3.625 -1.310 -9.985 1.00 0.00 C ATOM 450 CE3 TRP A 29 -1.997 -0.133 -8.644 1.00 0.00 C ATOM 451 CZ2 TRP A 29 -2.725 -1.443 -11.041 1.00 0.00 C ATOM 452 CZ3 TRP A 29 -1.105 -0.266 -9.693 1.00 0.00 C ATOM 453 CH2 TRP A 29 -1.473 -0.915 -10.877 1.00 0.00 C ATOM 0 H TRP A 29 -2.252 -2.060 -6.595 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.588 -0.030 -5.669 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.525 -0.388 -6.142 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.478 0.941 -6.598 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.396 -1.575 -8.268 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.449 -2.234 -10.585 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.705 0.370 -7.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.005 -1.945 -11.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.108 0.138 -9.597 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.754 -1.001 -11.678 1.00 0.00 H new ATOM 464 N THR A 30 -3.029 -0.793 -3.231 1.00 0.00 N ATOM 465 CA THR A 30 -3.362 -0.788 -1.812 1.00 0.00 C ATOM 466 C THR A 30 -2.199 -1.315 -0.980 1.00 0.00 C ATOM 467 O THR A 30 -1.473 -2.213 -1.408 1.00 0.00 O ATOM 468 CB THR A 30 -4.610 -1.634 -1.559 1.00 0.00 C ATOM 469 OG1 THR A 30 -4.636 -2.105 -0.223 1.00 0.00 O ATOM 470 CG2 THR A 30 -4.709 -2.838 -2.471 1.00 0.00 C ATOM 0 H THR A 30 -2.036 -0.915 -3.430 1.00 0.00 H new ATOM 0 HA THR A 30 -3.562 0.241 -1.513 1.00 0.00 H new ATOM 0 HB THR A 30 -5.453 -0.973 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.915 -3.045 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.617 -3.396 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.741 -2.507 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.841 -3.480 -2.322 1.00 0.00 H new ATOM 478 N TYR A 31 -2.027 -0.753 0.212 1.00 0.00 N ATOM 479 CA TYR A 31 -0.952 -1.168 1.105 1.00 0.00 C ATOM 480 C TYR A 31 -1.503 -1.576 2.466 1.00 0.00 C ATOM 481 O TYR A 31 -2.681 -1.362 2.760 1.00 0.00 O ATOM 482 CB TYR A 31 0.065 -0.039 1.272 1.00 0.00 C ATOM 483 CG TYR A 31 -0.421 1.089 2.153 1.00 0.00 C ATOM 484 CD1 TYR A 31 -1.585 1.782 1.847 1.00 0.00 C ATOM 485 CD2 TYR A 31 0.284 1.460 3.291 1.00 0.00 C ATOM 486 CE1 TYR A 31 -2.033 2.814 2.651 1.00 0.00 C ATOM 487 CE2 TYR A 31 -0.159 2.490 4.100 1.00 0.00 C ATOM 488 CZ TYR A 31 -1.316 3.164 3.774 1.00 0.00 C ATOM 489 OH TYR A 31 -1.758 4.189 4.579 1.00 0.00 O ATOM 0 H TYR A 31 -2.619 -0.009 0.582 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.457 -2.031 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.983 -0.448 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.316 0.361 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.149 1.511 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.193 0.936 3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.940 3.343 2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.399 2.765 4.983 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.138 4.307 5.329 1.00 0.00 H new ATOM 499 N CYS A 32 -0.646 -2.163 3.295 1.00 0.00 N ATOM 500 CA CYS A 32 -1.048 -2.601 4.625 1.00 0.00 C ATOM 501 C CYS A 32 -0.581 -1.613 5.688 1.00 0.00 C ATOM 502 O CYS A 32 0.121 -0.647 5.387 1.00 0.00 O ATOM 503 CB CYS A 32 -0.480 -3.989 4.920 1.00 0.00 C ATOM 504 SG CYS A 32 -1.650 -5.352 4.618 1.00 0.00 S ATOM 0 H CYS A 32 0.331 -2.346 3.068 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.137 -2.647 4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.408 -4.144 4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.159 -4.024 5.961 1.00 0.00 H new ATOM 509 N GLU A 33 -0.973 -1.862 6.933 1.00 0.00 N ATOM 510 CA GLU A 33 -0.593 -0.995 8.042 1.00 0.00 C ATOM 511 C GLU A 33 0.813 -1.322 8.528 1.00 0.00 C ATOM 512 O GLU A 33 1.578 -0.432 8.896 1.00 0.00 O ATOM 513 CB GLU A 33 -1.592 -1.133 9.193 1.00 0.00 C ATOM 514 CG GLU A 33 -2.724 -0.123 9.141 1.00 0.00 C ATOM 515 CD GLU A 33 -2.479 1.076 10.038 1.00 0.00 C ATOM 516 OE1 GLU A 33 -1.497 1.808 9.795 1.00 0.00 O ATOM 517 OE2 GLU A 33 -3.269 1.280 10.984 1.00 0.00 O ATOM 0 H GLU A 33 -1.554 -2.657 7.199 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.604 0.035 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.013 -2.138 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.061 -1.023 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.855 0.217 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.654 -0.609 9.437 1.00 0.00 H new ATOM 524 N ASN A 34 1.147 -2.609 8.524 1.00 0.00 N ATOM 525 CA ASN A 34 2.465 -3.059 8.963 1.00 0.00 C ATOM 526 C ASN A 34 3.366 -3.343 7.767 1.00 0.00 C ATOM 527 O ASN A 34 2.908 -3.843 6.738 1.00 0.00 O ATOM 528 CB ASN A 34 2.337 -4.310 9.831 1.00 0.00 C ATOM 529 CG ASN A 34 3.476 -4.444 10.825 1.00 0.00 C ATOM 530 OD1 ASN A 34 4.609 -4.742 10.451 1.00 0.00 O ATOM 531 ND2 ASN A 34 3.178 -4.220 12.100 1.00 0.00 N ATOM 0 H ASN A 34 0.524 -3.358 8.222 1.00 0.00 H new ATOM 0 HA ASN A 34 2.917 -2.262 9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.390 -4.280 10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.311 -5.192 9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.903 -4.293 12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.224 -3.975 12.365 1.00 0.00 H new ATOM 538 N ARG A 35 4.647 -3.020 7.905 1.00 0.00 N ATOM 539 CA ARG A 35 5.611 -3.239 6.833 1.00 0.00 C ATOM 540 C ARG A 35 5.933 -4.722 6.684 1.00 0.00 C ATOM 541 O ARG A 35 6.897 -5.093 6.011 1.00 0.00 O ATOM 542 CB ARG A 35 6.892 -2.450 7.105 1.00 0.00 C ATOM 543 CG ARG A 35 7.190 -1.393 6.054 1.00 0.00 C ATOM 544 CD ARG A 35 8.454 -1.721 5.276 1.00 0.00 C ATOM 545 NE ARG A 35 9.011 -3.016 5.658 1.00 0.00 N ATOM 546 CZ ARG A 35 9.799 -3.195 6.714 1.00 0.00 C ATOM 547 NH1 ARG A 35 10.117 -2.167 7.489 1.00 0.00 N ATOM 548 NH2 ARG A 35 10.268 -4.404 6.993 1.00 0.00 N ATOM 0 H ARG A 35 5.042 -2.605 8.749 1.00 0.00 H new ATOM 0 HA ARG A 35 5.167 -2.889 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.812 -1.969 8.080 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.731 -3.143 7.159 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.348 -1.315 5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.300 -0.421 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.233 -1.722 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.197 -0.942 5.447 1.00 0.00 H new ATOM 0 HE ARG A 35 8.783 -3.827 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.757 -1.237 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.722 -2.306 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.024 -5.196 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.873 -4.542 7.803 1.00 0.00 H new ATOM 562 N ASN A 36 5.123 -5.567 7.312 1.00 0.00 N ATOM 563 CA ASN A 36 5.323 -7.007 7.249 1.00 0.00 C ATOM 564 C ASN A 36 4.007 -7.719 6.960 1.00 0.00 C ATOM 565 O ASN A 36 3.941 -8.948 6.937 1.00 0.00 O ATOM 566 CB ASN A 36 5.912 -7.513 8.563 1.00 0.00 C ATOM 567 CG ASN A 36 6.815 -8.717 8.370 1.00 0.00 C ATOM 568 OD1 ASN A 36 6.905 -9.586 9.238 1.00 0.00 O ATOM 569 ND2 ASN A 36 7.490 -8.774 7.228 1.00 0.00 N ATOM 0 H ASN A 36 4.321 -5.277 7.871 1.00 0.00 H new ATOM 0 HA ASN A 36 6.020 -7.223 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.478 -6.711 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.102 -7.776 9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.113 -9.560 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.385 -8.032 6.536 1.00 0.00 H new ATOM 576 N GLN A 37 2.959 -6.932 6.746 1.00 0.00 N ATOM 577 CA GLN A 37 1.635 -7.473 6.466 1.00 0.00 C ATOM 578 C GLN A 37 1.199 -7.135 5.042 1.00 0.00 C ATOM 579 O GLN A 37 1.457 -6.037 4.548 1.00 0.00 O ATOM 580 CB GLN A 37 0.624 -6.918 7.467 1.00 0.00 C ATOM 581 CG GLN A 37 -0.269 -7.981 8.083 1.00 0.00 C ATOM 582 CD GLN A 37 -1.385 -7.390 8.923 1.00 0.00 C ATOM 583 OE1 GLN A 37 -1.668 -6.194 8.849 1.00 0.00 O ATOM 584 NE2 GLN A 37 -2.025 -8.229 9.729 1.00 0.00 N ATOM 0 H GLN A 37 3.001 -5.913 6.761 1.00 0.00 H new ATOM 0 HA GLN A 37 1.679 -8.558 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.160 -6.400 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.000 -6.177 6.968 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.701 -8.592 7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.335 -8.644 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.757 -9.213 9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.785 -7.890 10.319 1.00 0.00 H new ATOM 593 N LYS A 38 0.534 -8.086 4.392 1.00 0.00 N ATOM 594 CA LYS A 38 0.061 -7.891 3.029 1.00 0.00 C ATOM 595 C LYS A 38 -1.423 -7.535 3.016 1.00 0.00 C ATOM 596 O LYS A 38 -2.159 -7.875 3.942 1.00 0.00 O ATOM 597 CB LYS A 38 0.296 -9.154 2.201 1.00 0.00 C ATOM 598 CG LYS A 38 1.320 -10.098 2.808 1.00 0.00 C ATOM 599 CD LYS A 38 0.732 -11.479 3.039 1.00 0.00 C ATOM 600 CE LYS A 38 1.164 -12.458 1.961 1.00 0.00 C ATOM 601 NZ LYS A 38 0.020 -12.888 1.109 1.00 0.00 N ATOM 0 H LYS A 38 0.312 -8.999 4.789 1.00 0.00 H new ATOM 0 HA LYS A 38 0.622 -7.065 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.650 -9.683 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.626 -8.867 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.183 -10.174 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.677 -9.690 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.045 -11.850 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.356 -11.414 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.928 -11.996 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.619 -13.333 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.323 -12.926 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.301 -13.830 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.761 -12.208 1.208 1.00 0.00 H new ATOM 615 N CYS A 39 -1.855 -6.854 1.960 1.00 0.00 N ATOM 616 CA CYS A 39 -3.252 -6.459 1.828 1.00 0.00 C ATOM 617 C CYS A 39 -3.954 -7.314 0.781 1.00 0.00 C ATOM 618 O CYS A 39 -3.739 -7.149 -0.419 1.00 0.00 O ATOM 619 CB CYS A 39 -3.359 -4.986 1.451 1.00 0.00 C ATOM 620 SG CYS A 39 -5.052 -4.434 1.070 1.00 0.00 S ATOM 0 H CYS A 39 -1.259 -6.565 1.185 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.739 -6.612 2.791 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.968 -4.383 2.271 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.724 -4.797 0.586 1.00 0.00 H new ATOM 625 N CYS A 40 -4.788 -8.229 1.251 1.00 0.00 N ATOM 626 CA CYS A 40 -5.522 -9.123 0.374 1.00 0.00 C ATOM 627 C CYS A 40 -6.956 -8.643 0.170 1.00 0.00 C ATOM 628 O CYS A 40 -7.367 -7.625 0.724 1.00 0.00 O ATOM 629 CB CYS A 40 -5.523 -10.525 0.969 1.00 0.00 C ATOM 630 SG CYS A 40 -4.926 -10.605 2.689 1.00 0.00 S ATOM 0 H CYS A 40 -4.973 -8.371 2.244 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.031 -9.134 -0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.536 -10.924 0.929 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.901 -11.171 0.350 1.00 0.00 H new ATOM 635 N GLU A 41 -7.708 -9.391 -0.629 1.00 0.00 N ATOM 636 CA GLU A 41 -9.097 -9.057 -0.914 1.00 0.00 C ATOM 637 C GLU A 41 -9.939 -9.105 0.356 1.00 0.00 C ATOM 638 O GLU A 41 -10.522 -8.100 0.766 1.00 0.00 O ATOM 639 CB GLU A 41 -9.666 -10.024 -1.953 1.00 0.00 C ATOM 640 CG GLU A 41 -9.975 -9.371 -3.288 1.00 0.00 C ATOM 641 CD GLU A 41 -10.930 -8.200 -3.159 1.00 0.00 C ATOM 642 OE1 GLU A 41 -11.018 -7.625 -2.053 1.00 0.00 O ATOM 643 OE2 GLU A 41 -11.592 -7.859 -4.163 1.00 0.00 O ATOM 0 H GLU A 41 -7.376 -10.237 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.130 -8.042 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.954 -10.834 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.577 -10.473 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.046 -9.029 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.405 -10.113 -3.960 1.00 0.00 H new ATOM 650 N TYR A 42 -9.999 -10.279 0.974 1.00 0.00 N ATOM 651 CA TYR A 42 -10.770 -10.462 2.199 1.00 0.00 C ATOM 652 C TYR A 42 -10.005 -11.316 3.203 1.00 0.00 C ATOM 653 O TYR A 42 -8.963 -11.888 2.820 1.00 0.00 O ATOM 654 CB TYR A 42 -12.117 -11.110 1.882 1.00 0.00 C ATOM 655 CG TYR A 42 -13.093 -11.076 3.037 1.00 0.00 C ATOM 656 CD1 TYR A 42 -13.409 -9.882 3.671 1.00 0.00 C ATOM 657 CD2 TYR A 42 -13.699 -12.242 3.492 1.00 0.00 C ATOM 658 CE1 TYR A 42 -14.300 -9.847 4.727 1.00 0.00 C ATOM 659 CE2 TYR A 42 -14.591 -12.215 4.547 1.00 0.00 C ATOM 660 CZ TYR A 42 -14.889 -11.017 5.160 1.00 0.00 C ATOM 661 OH TYR A 42 -15.778 -10.987 6.210 1.00 0.00 O ATOM 662 OXT TYR A 42 -10.453 -11.406 4.366 1.00 0.00 O ATOM 0 H TYR A 42 -9.523 -11.119 0.647 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.940 -9.481 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.562 -10.603 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.952 -12.146 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.951 -8.964 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.469 -13.183 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.534 -8.910 5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -15.053 -13.129 4.890 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.103 -11.894 6.389 1.00 0.00 H new