USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 550 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -146:sc= 0.279 (180deg=0.0349) USER MOD Set 2.1: A 53 CYS SG : rot 120:sc= 1.18 USER MOD Set 2.2: A 61 CYS SG : rot 65:sc= 0.853 USER MOD Set 2.3: A 66 CYS SG : rot 153:sc= 0.776 USER MOD Set 2.4: A 70 HIS : no HD1:sc= 0.023 K(o=2.8,f=2.1) USER MOD Set 3.1: A 19 CYS SG : rot 135:sc= 1.01 USER MOD Set 3.2: A 27 CYS SG : rot 133:sc= 0.878 USER MOD Set 3.3: A 34 CYS SG : rot 134:sc= 2.06 USER MOD Set 3.4: A 38 HIS : no HD1:sc= -0.176 K(o=3.8,f=2.1) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 23 GLN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 26 THR OG1 : rot 128:sc= 0.227 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.059) USER MOD Single : A 47 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.51) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 60:sc= 0.19 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=-0.22) USER MOD Single : A 77 THR OG1 : rot 70:sc= 0.00523 USER MOD Single : A 78 GLN : amide:sc= 0.657 K(o=0.66,f=-0.011) USER MOD Single : A 82 ASN : amide:sc= 0.06 X(o=0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.656 8.628 11.502 1.00 0.00 N ATOM 143 CA ASP A 10 24.351 9.302 11.491 1.00 0.00 C ATOM 144 C ASP A 10 23.198 8.469 12.091 1.00 0.00 C ATOM 145 O ASP A 10 22.581 7.652 11.421 1.00 0.00 O ATOM 146 CB ASP A 10 24.042 9.703 10.038 1.00 0.00 C ATOM 147 CG ASP A 10 22.679 10.387 9.909 1.00 0.00 C ATOM 148 OD1 ASP A 10 21.887 9.975 9.030 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.423 11.308 10.719 1.00 0.00 O ATOM 0 HA ASP A 10 24.421 10.175 12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.820 10.374 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 10 24.064 8.816 9.405 1.00 0.00 H new ATOM 154 N THR A 11 22.821 8.722 13.340 1.00 0.00 N ATOM 155 CA THR A 11 21.703 8.026 14.008 1.00 0.00 C ATOM 156 C THR A 11 20.327 8.380 13.426 1.00 0.00 C ATOM 157 O THR A 11 19.362 7.647 13.658 1.00 0.00 O ATOM 158 CB THR A 11 21.708 8.301 15.519 1.00 0.00 C ATOM 159 OG1 THR A 11 21.740 9.695 15.754 1.00 0.00 O ATOM 160 CG2 THR A 11 22.932 7.679 16.198 1.00 0.00 C ATOM 0 H THR A 11 23.279 9.418 13.929 1.00 0.00 H new ATOM 0 HA THR A 11 21.867 6.964 13.824 1.00 0.00 H new ATOM 0 HB THR A 11 20.802 7.858 15.933 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.741 9.864 16.719 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.903 7.893 17.266 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.925 6.600 16.044 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.840 8.101 15.768 1.00 0.00 H new ATOM 168 N LYS A 12 20.217 9.459 12.634 1.00 0.00 N ATOM 169 CA LYS A 12 18.957 9.919 12.018 1.00 0.00 C ATOM 170 C LYS A 12 18.339 8.895 11.062 1.00 0.00 C ATOM 171 O LYS A 12 17.116 8.832 10.947 1.00 0.00 O ATOM 172 CB LYS A 12 19.137 11.274 11.314 1.00 0.00 C ATOM 173 CG LYS A 12 19.623 12.379 12.268 1.00 0.00 C ATOM 174 CD LYS A 12 19.784 13.713 11.530 1.00 0.00 C ATOM 175 CE LYS A 12 20.295 14.787 12.493 1.00 0.00 C ATOM 176 NZ LYS A 12 20.469 16.084 11.805 1.00 0.00 N ATOM 0 H LYS A 12 21.015 10.049 12.398 1.00 0.00 H new ATOM 0 HA LYS A 12 18.254 10.042 12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.852 11.163 10.499 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.189 11.576 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.912 12.496 13.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.575 12.088 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.480 13.597 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.829 14.020 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.593 14.902 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.245 14.471 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.816 16.793 12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.157 15.978 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.556 16.396 11.416 1.00 0.00 H new ATOM 190 N TRP A 13 19.161 8.070 10.401 1.00 0.00 N ATOM 191 CA TRP A 13 18.658 6.999 9.530 1.00 0.00 C ATOM 192 C TRP A 13 18.219 5.764 10.340 1.00 0.00 C ATOM 193 O TRP A 13 17.387 4.999 9.859 1.00 0.00 O ATOM 194 CB TRP A 13 19.675 6.659 8.427 1.00 0.00 C ATOM 195 CG TRP A 13 20.735 5.640 8.734 1.00 0.00 C ATOM 196 CD1 TRP A 13 22.008 5.897 9.114 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.641 4.183 8.630 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.695 4.708 9.271 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.904 3.617 8.980 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.618 3.282 8.260 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.139 2.232 8.960 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.841 1.892 8.236 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.096 1.367 8.584 1.00 0.00 C ATOM 0 H TRP A 13 20.178 8.123 10.453 1.00 0.00 H new ATOM 0 HA TRP A 13 17.762 7.365 9.029 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.119 6.311 7.556 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.175 7.583 8.137 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.424 6.881 9.271 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.669 4.645 9.566 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.646 3.667 7.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.107 1.837 9.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.042 1.225 7.948 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.260 0.300 8.563 1.00 0.00 H new ATOM 214 N LEU A 14 18.724 5.596 11.574 1.00 0.00 N ATOM 215 CA LEU A 14 18.367 4.512 12.500 1.00 0.00 C ATOM 216 C LEU A 14 17.193 4.871 13.440 1.00 0.00 C ATOM 217 O LEU A 14 16.613 3.964 14.034 1.00 0.00 O ATOM 218 CB LEU A 14 19.588 4.129 13.365 1.00 0.00 C ATOM 219 CG LEU A 14 20.739 3.386 12.662 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.875 3.183 13.670 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.333 1.996 12.168 1.00 0.00 C ATOM 0 H LEU A 14 19.416 6.235 11.966 1.00 0.00 H new ATOM 0 HA LEU A 14 18.049 3.676 11.877 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.992 5.042 13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.237 3.508 14.189 1.00 0.00 H new ATOM 0 HG LEU A 14 21.033 3.991 11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.699 2.658 13.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.222 4.153 14.027 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.513 2.594 14.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.184 1.520 11.681 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.013 1.388 13.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.513 2.088 11.456 1.00 0.00 H new ATOM 233 N THR A 15 16.839 6.147 13.631 1.00 0.00 N ATOM 234 CA THR A 15 15.757 6.534 14.563 1.00 0.00 C ATOM 235 C THR A 15 14.335 6.364 14.006 1.00 0.00 C ATOM 236 O THR A 15 14.081 6.564 12.817 1.00 0.00 O ATOM 237 CB THR A 15 15.864 8.004 15.017 1.00 0.00 C ATOM 238 OG1 THR A 15 16.292 8.863 13.984 1.00 0.00 O ATOM 239 CG2 THR A 15 16.814 8.180 16.198 1.00 0.00 C ATOM 0 H THR A 15 17.282 6.934 13.156 1.00 0.00 H new ATOM 0 HA THR A 15 15.905 5.843 15.393 1.00 0.00 H new ATOM 0 HB THR A 15 14.851 8.274 15.316 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.342 9.782 14.322 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.854 9.232 16.479 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.456 7.592 17.043 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.811 7.841 15.916 1.00 0.00 H new ATOM 247 N LEU A 16 13.388 6.074 14.909 1.00 0.00 N ATOM 248 CA LEU A 16 11.937 5.981 14.673 1.00 0.00 C ATOM 249 C LEU A 16 11.189 6.737 15.782 1.00 0.00 C ATOM 250 O LEU A 16 11.613 6.744 16.936 1.00 0.00 O ATOM 251 CB LEU A 16 11.484 4.511 14.597 1.00 0.00 C ATOM 252 CG LEU A 16 11.887 3.790 13.298 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.506 2.313 13.379 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.195 4.368 12.058 1.00 0.00 C ATOM 0 H LEU A 16 13.627 5.887 15.883 1.00 0.00 H new ATOM 0 HA LEU A 16 11.702 6.441 13.713 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.904 3.969 15.445 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.400 4.472 14.699 1.00 0.00 H new ATOM 0 HG LEU A 16 12.964 3.926 13.199 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.795 1.811 12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.022 1.850 14.220 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.429 2.222 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.518 3.820 11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.115 4.276 12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.460 5.420 11.950 1.00 0.00 H new ATOM 266 N GLU A 17 10.093 7.406 15.420 1.00 0.00 N ATOM 267 CA GLU A 17 9.294 8.246 16.323 1.00 0.00 C ATOM 268 C GLU A 17 8.384 7.447 17.275 1.00 0.00 C ATOM 269 O GLU A 17 7.779 6.440 16.898 1.00 0.00 O ATOM 270 CB GLU A 17 8.496 9.243 15.465 1.00 0.00 C ATOM 271 CG GLU A 17 7.929 10.420 16.270 1.00 0.00 C ATOM 272 CD GLU A 17 7.238 11.444 15.358 1.00 0.00 C ATOM 273 OE1 GLU A 17 7.944 12.055 14.519 1.00 0.00 O ATOM 274 OE2 GLU A 17 6.008 11.637 15.506 1.00 0.00 O ATOM 0 H GLU A 17 9.725 7.380 14.469 1.00 0.00 H new ATOM 0 HA GLU A 17 9.974 8.777 16.989 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.141 9.629 14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.675 8.717 14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.217 10.049 17.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.734 10.907 16.821 1.00 0.00 H new ATOM 281 N VAL A 18 8.273 7.930 18.515 1.00 0.00 N ATOM 282 CA VAL A 18 7.439 7.380 19.594 1.00 0.00 C ATOM 283 C VAL A 18 6.011 7.932 19.486 1.00 0.00 C ATOM 284 O VAL A 18 5.816 9.115 19.189 1.00 0.00 O ATOM 285 CB VAL A 18 8.058 7.722 20.969 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.218 7.224 22.150 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.447 7.085 21.100 1.00 0.00 C ATOM 0 H VAL A 18 8.788 8.759 18.812 1.00 0.00 H new ATOM 0 HA VAL A 18 7.397 6.295 19.497 1.00 0.00 H new ATOM 0 HB VAL A 18 8.106 8.810 21.007 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.708 7.496 23.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.229 7.681 22.112 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.119 6.140 22.094 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.871 7.334 22.073 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.361 6.002 21.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.098 7.465 20.312 1.00 0.00 H new ATOM 297 N CYS A 19 5.010 7.083 19.729 1.00 0.00 N ATOM 298 CA CYS A 19 3.592 7.443 19.653 1.00 0.00 C ATOM 299 C CYS A 19 3.225 8.594 20.614 1.00 0.00 C ATOM 300 O CYS A 19 3.619 8.610 21.790 1.00 0.00 O ATOM 301 CB CYS A 19 2.783 6.162 19.905 1.00 0.00 C ATOM 302 SG CYS A 19 1.001 6.366 19.598 1.00 0.00 S ATOM 0 H CYS A 19 5.165 6.109 19.989 1.00 0.00 H new ATOM 0 HA CYS A 19 3.352 7.837 18.665 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.166 5.367 19.266 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.933 5.842 20.936 1.00 0.00 H new ATOM 0 HG CYS A 19 0.559 5.352 18.915 1.00 0.00 H new ATOM 307 N ARG A 20 2.481 9.591 20.114 1.00 0.00 N ATOM 308 CA ARG A 20 2.047 10.765 20.893 1.00 0.00 C ATOM 309 C ARG A 20 1.104 10.364 22.029 1.00 0.00 C ATOM 310 O ARG A 20 1.257 10.825 23.157 1.00 0.00 O ATOM 311 CB ARG A 20 1.370 11.784 19.958 1.00 0.00 C ATOM 312 CG ARG A 20 1.176 13.150 20.640 1.00 0.00 C ATOM 313 CD ARG A 20 0.288 14.086 19.810 1.00 0.00 C ATOM 314 NE ARG A 20 -1.123 13.664 19.859 1.00 0.00 N ATOM 315 CZ ARG A 20 -2.135 14.204 19.204 1.00 0.00 C ATOM 316 NH1 ARG A 20 -3.338 13.733 19.387 1.00 0.00 N ATOM 317 NH2 ARG A 20 -1.994 15.205 18.373 1.00 0.00 N ATOM 0 H ARG A 20 2.159 9.607 19.146 1.00 0.00 H new ATOM 0 HA ARG A 20 2.926 11.223 21.347 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.975 11.910 19.060 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.402 11.397 19.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.729 13.004 21.623 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.148 13.618 20.798 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.379 15.105 20.185 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.632 14.095 18.776 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.341 12.871 20.462 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.489 12.956 20.030 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.127 14.142 18.887 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.070 15.604 18.207 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.808 15.587 17.891 1.00 0.00 H new ATOM 331 N GLU A 21 0.152 9.479 21.745 1.00 0.00 N ATOM 332 CA GLU A 21 -0.815 8.981 22.728 1.00 0.00 C ATOM 333 C GLU A 21 -0.144 8.077 23.780 1.00 0.00 C ATOM 334 O GLU A 21 -0.539 8.093 24.946 1.00 0.00 O ATOM 335 CB GLU A 21 -1.972 8.268 22.006 1.00 0.00 C ATOM 336 CG GLU A 21 -2.713 9.133 20.971 1.00 0.00 C ATOM 337 CD GLU A 21 -3.276 10.431 21.562 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.357 10.377 22.197 1.00 0.00 O ATOM 339 OE2 GLU A 21 -2.636 11.492 21.359 1.00 0.00 O ATOM 0 H GLU A 21 0.026 9.080 20.815 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.225 9.830 23.274 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.580 7.383 21.506 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.689 7.922 22.751 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.031 9.378 20.157 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.529 8.553 20.540 1.00 0.00 H new ATOM 346 N PHE A 22 0.911 7.337 23.423 1.00 0.00 N ATOM 347 CA PHE A 22 1.682 6.519 24.370 1.00 0.00 C ATOM 348 C PHE A 22 2.386 7.404 25.412 1.00 0.00 C ATOM 349 O PHE A 22 2.332 7.126 26.611 1.00 0.00 O ATOM 350 CB PHE A 22 2.687 5.671 23.587 1.00 0.00 C ATOM 351 CG PHE A 22 3.550 4.744 24.419 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.906 5.049 24.644 1.00 0.00 C ATOM 353 CD2 PHE A 22 3.005 3.555 24.941 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.711 4.173 25.392 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.810 2.680 25.692 1.00 0.00 C ATOM 356 CZ PHE A 22 5.164 2.988 25.916 1.00 0.00 C ATOM 0 H PHE A 22 1.257 7.287 22.465 1.00 0.00 H new ATOM 0 HA PHE A 22 1.008 5.859 24.916 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.140 5.073 22.858 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.340 6.339 23.025 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.328 5.958 24.241 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.967 3.315 24.764 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.750 4.410 25.565 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.389 1.772 26.097 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.783 2.315 26.490 1.00 0.00 H new ATOM 366 N GLN A 23 2.978 8.521 24.966 1.00 0.00 N ATOM 367 CA GLN A 23 3.623 9.532 25.821 1.00 0.00 C ATOM 368 C GLN A 23 2.637 10.247 26.770 1.00 0.00 C ATOM 369 O GLN A 23 3.066 10.878 27.741 1.00 0.00 O ATOM 370 CB GLN A 23 4.381 10.540 24.940 1.00 0.00 C ATOM 371 CG GLN A 23 5.634 9.904 24.317 1.00 0.00 C ATOM 372 CD GLN A 23 6.211 10.761 23.194 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.092 11.590 23.387 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.735 10.590 21.982 1.00 0.00 N ATOM 0 H GLN A 23 3.024 8.754 23.974 1.00 0.00 H new ATOM 0 HA GLN A 23 4.327 9.011 26.470 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.723 10.903 24.150 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.668 11.405 25.538 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.390 9.761 25.089 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.384 8.917 23.928 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.001 9.901 21.815 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.099 11.146 21.208 1.00 0.00 H new ATOM 383 N ARG A 24 1.324 10.148 26.513 1.00 0.00 N ATOM 384 CA ARG A 24 0.223 10.715 27.323 1.00 0.00 C ATOM 385 C ARG A 24 -0.590 9.640 28.068 1.00 0.00 C ATOM 386 O ARG A 24 -1.526 9.977 28.795 1.00 0.00 O ATOM 387 CB ARG A 24 -0.686 11.582 26.424 1.00 0.00 C ATOM 388 CG ARG A 24 -0.015 12.787 25.733 1.00 0.00 C ATOM 389 CD ARG A 24 0.462 13.900 26.679 1.00 0.00 C ATOM 390 NE ARG A 24 1.688 13.525 27.402 1.00 0.00 N ATOM 391 CZ ARG A 24 2.396 14.276 28.225 1.00 0.00 C ATOM 392 NH1 ARG A 24 3.435 13.759 28.819 1.00 0.00 N ATOM 393 NH2 ARG A 24 2.102 15.524 28.480 1.00 0.00 N ATOM 0 H ARG A 24 0.979 9.646 25.695 1.00 0.00 H new ATOM 0 HA ARG A 24 0.670 11.339 28.097 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.116 10.942 25.654 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.513 11.952 27.030 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.840 12.428 25.160 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.719 13.215 25.020 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.644 14.809 26.106 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.326 14.128 27.397 1.00 0.00 H new ATOM 0 HE ARG A 24 2.030 12.576 27.250 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.691 12.787 28.645 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.992 14.326 29.458 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.294 15.959 28.035 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.681 16.063 29.124 1.00 0.00 H new ATOM 407 N GLY A 25 -0.236 8.359 27.918 1.00 0.00 N ATOM 408 CA GLY A 25 -0.903 7.224 28.567 1.00 0.00 C ATOM 409 C GLY A 25 -2.321 6.934 28.048 1.00 0.00 C ATOM 410 O GLY A 25 -3.156 6.441 28.810 1.00 0.00 O ATOM 0 H GLY A 25 0.544 8.075 27.325 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.291 6.333 28.430 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.954 7.414 29.639 1.00 0.00 H new ATOM 414 N THR A 26 -2.610 7.255 26.781 1.00 0.00 N ATOM 415 CA THR A 26 -3.939 7.101 26.150 1.00 0.00 C ATOM 416 C THR A 26 -3.986 6.134 24.957 1.00 0.00 C ATOM 417 O THR A 26 -5.086 5.750 24.547 1.00 0.00 O ATOM 418 CB THR A 26 -4.511 8.467 25.726 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.582 9.181 24.936 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.854 9.348 26.928 1.00 0.00 C ATOM 0 H THR A 26 -1.912 7.640 26.144 1.00 0.00 H new ATOM 0 HA THR A 26 -4.557 6.651 26.928 1.00 0.00 H new ATOM 0 HB THR A 26 -5.417 8.248 25.161 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.016 9.477 24.108 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.254 10.300 26.579 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.599 8.846 27.546 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.954 9.526 27.517 1.00 0.00 H new ATOM 428 N CYS A 27 -2.842 5.692 24.412 1.00 0.00 N ATOM 429 CA CYS A 27 -2.801 4.714 23.313 1.00 0.00 C ATOM 430 C CYS A 27 -3.301 3.327 23.783 1.00 0.00 C ATOM 431 O CYS A 27 -3.082 2.935 24.937 1.00 0.00 O ATOM 432 CB CYS A 27 -1.373 4.644 22.742 1.00 0.00 C ATOM 433 SG CYS A 27 -1.358 3.916 21.068 1.00 0.00 S ATOM 0 H CYS A 27 -1.920 6.002 24.720 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.474 5.038 22.519 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.944 5.645 22.708 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.744 4.049 23.404 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.623 4.647 20.284 1.00 0.00 H new ATOM 438 N SER A 28 -3.967 2.577 22.896 1.00 0.00 N ATOM 439 CA SER A 28 -4.498 1.235 23.180 1.00 0.00 C ATOM 440 C SER A 28 -4.312 0.267 21.996 1.00 0.00 C ATOM 441 O SER A 28 -5.269 -0.291 21.449 1.00 0.00 O ATOM 442 CB SER A 28 -5.958 1.347 23.649 1.00 0.00 C ATOM 443 OG SER A 28 -6.364 0.163 24.324 1.00 0.00 O ATOM 0 H SER A 28 -4.156 2.890 21.944 1.00 0.00 H new ATOM 0 HA SER A 28 -3.920 0.794 23.992 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.067 2.205 24.313 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.608 1.523 22.792 1.00 0.00 H new ATOM 0 HG SER A 28 -7.295 0.256 24.615 1.00 0.00 H new ATOM 449 N ARG A 29 -3.046 0.055 21.606 1.00 0.00 N ATOM 450 CA ARG A 29 -2.590 -0.862 20.541 1.00 0.00 C ATOM 451 C ARG A 29 -1.167 -1.363 20.841 1.00 0.00 C ATOM 452 O ARG A 29 -0.375 -0.611 21.420 1.00 0.00 O ATOM 453 CB ARG A 29 -2.555 -0.155 19.166 1.00 0.00 C ATOM 454 CG ARG A 29 -3.937 0.227 18.612 1.00 0.00 C ATOM 455 CD ARG A 29 -3.889 0.614 17.127 1.00 0.00 C ATOM 456 NE ARG A 29 -2.999 1.760 16.870 1.00 0.00 N ATOM 457 CZ ARG A 29 -3.074 2.617 15.868 1.00 0.00 C ATOM 458 NH1 ARG A 29 -4.020 2.581 14.963 1.00 0.00 N ATOM 459 NH2 ARG A 29 -2.172 3.550 15.754 1.00 0.00 N ATOM 0 H ARG A 29 -2.267 0.544 22.047 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.296 -1.692 20.511 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.949 0.747 19.250 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.057 -0.807 18.448 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.622 -0.611 18.744 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.338 1.061 19.189 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.551 -0.242 16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.895 0.856 16.785 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.243 1.907 17.539 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.746 1.866 15.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.031 3.268 14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.416 3.614 16.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.222 4.216 14.983 1.00 0.00 H new ATOM 473 N PRO A 30 -0.800 -2.596 20.442 1.00 0.00 N ATOM 474 CA PRO A 30 0.562 -3.097 20.613 1.00 0.00 C ATOM 475 C PRO A 30 1.511 -2.396 19.627 1.00 0.00 C ATOM 476 O PRO A 30 1.089 -1.928 18.567 1.00 0.00 O ATOM 477 CB PRO A 30 0.468 -4.600 20.334 1.00 0.00 C ATOM 478 CG PRO A 30 -0.676 -4.702 19.325 1.00 0.00 C ATOM 479 CD PRO A 30 -1.627 -3.586 19.764 1.00 0.00 C ATOM 0 HA PRO A 30 0.960 -2.904 21.609 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.400 -4.992 19.926 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.255 -5.165 21.242 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.326 -4.555 18.303 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.158 -5.679 19.359 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.136 -3.147 18.906 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.399 -3.971 20.430 1.00 0.00 H new ATOM 487 N ASP A 31 2.812 -2.373 19.938 1.00 0.00 N ATOM 488 CA ASP A 31 3.861 -1.804 19.069 1.00 0.00 C ATOM 489 C ASP A 31 3.800 -2.366 17.630 1.00 0.00 C ATOM 490 O ASP A 31 4.096 -1.671 16.661 1.00 0.00 O ATOM 491 CB ASP A 31 5.227 -2.100 19.706 1.00 0.00 C ATOM 492 CG ASP A 31 6.392 -1.466 18.940 1.00 0.00 C ATOM 493 OD1 ASP A 31 6.980 -2.167 18.084 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.711 -0.291 19.232 1.00 0.00 O ATOM 0 H ASP A 31 3.176 -2.753 20.812 1.00 0.00 H new ATOM 0 HA ASP A 31 3.702 -0.729 18.986 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.231 -1.733 20.732 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.374 -3.179 19.753 1.00 0.00 H new ATOM 499 N THR A 32 3.387 -3.631 17.507 1.00 0.00 N ATOM 500 CA THR A 32 3.217 -4.396 16.266 1.00 0.00 C ATOM 501 C THR A 32 2.116 -3.875 15.334 1.00 0.00 C ATOM 502 O THR A 32 2.157 -4.140 14.133 1.00 0.00 O ATOM 503 CB THR A 32 2.872 -5.858 16.607 1.00 0.00 C ATOM 504 OG1 THR A 32 3.539 -6.288 17.782 1.00 0.00 O ATOM 505 CG2 THR A 32 3.257 -6.842 15.501 1.00 0.00 C ATOM 0 H THR A 32 3.146 -4.187 18.328 1.00 0.00 H new ATOM 0 HA THR A 32 4.166 -4.295 15.739 1.00 0.00 H new ATOM 0 HB THR A 32 1.790 -5.861 16.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.298 -7.219 17.973 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.987 -7.854 15.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.727 -6.584 14.584 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.332 -6.790 15.326 1.00 0.00 H new ATOM 513 N GLU A 33 1.128 -3.146 15.858 1.00 0.00 N ATOM 514 CA GLU A 33 -0.031 -2.650 15.099 1.00 0.00 C ATOM 515 C GLU A 33 -0.116 -1.115 15.050 1.00 0.00 C ATOM 516 O GLU A 33 -0.683 -0.565 14.101 1.00 0.00 O ATOM 517 CB GLU A 33 -1.300 -3.255 15.731 1.00 0.00 C ATOM 518 CG GLU A 33 -2.593 -3.097 14.917 1.00 0.00 C ATOM 519 CD GLU A 33 -2.555 -3.894 13.606 1.00 0.00 C ATOM 520 OE1 GLU A 33 -2.874 -5.107 13.646 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.202 -3.300 12.559 1.00 0.00 O ATOM 0 H GLU A 33 1.107 -2.876 16.842 1.00 0.00 H new ATOM 0 HA GLU A 33 0.075 -2.962 14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.127 -4.318 15.900 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.450 -2.797 16.708 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.441 -3.428 15.517 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.753 -2.042 14.694 1.00 0.00 H new ATOM 528 N CYS A 34 0.460 -0.419 16.035 1.00 0.00 N ATOM 529 CA CYS A 34 0.458 1.047 16.068 1.00 0.00 C ATOM 530 C CYS A 34 1.356 1.655 14.964 1.00 0.00 C ATOM 531 O CYS A 34 2.318 1.035 14.491 1.00 0.00 O ATOM 532 CB CYS A 34 0.821 1.528 17.482 1.00 0.00 C ATOM 533 SG CYS A 34 0.216 3.227 17.779 1.00 0.00 S ATOM 0 H CYS A 34 0.937 -0.851 16.826 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.546 1.408 15.842 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.390 0.852 18.221 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.903 1.496 17.613 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.362 3.285 18.942 1.00 0.00 H new ATOM 538 N LYS A 35 1.036 2.885 14.543 1.00 0.00 N ATOM 539 CA LYS A 35 1.759 3.638 13.499 1.00 0.00 C ATOM 540 C LYS A 35 3.114 4.219 13.950 1.00 0.00 C ATOM 541 O LYS A 35 3.857 4.739 13.117 1.00 0.00 O ATOM 542 CB LYS A 35 0.847 4.732 12.914 1.00 0.00 C ATOM 543 CG LYS A 35 0.471 5.828 13.929 1.00 0.00 C ATOM 544 CD LYS A 35 -0.348 6.970 13.312 1.00 0.00 C ATOM 545 CE LYS A 35 0.468 7.779 12.296 1.00 0.00 C ATOM 546 NZ LYS A 35 -0.302 8.932 11.788 1.00 0.00 N ATOM 0 H LYS A 35 0.245 3.402 14.927 1.00 0.00 H new ATOM 0 HA LYS A 35 2.013 2.916 12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.347 5.193 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.065 4.270 12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.099 5.380 14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.382 6.238 14.365 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.231 6.559 12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.700 7.632 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.388 8.130 12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.757 7.137 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.275 9.460 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.168 8.593 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.556 9.556 12.580 1.00 0.00 H new ATOM 560 N PHE A 36 3.433 4.131 15.241 1.00 0.00 N ATOM 561 CA PHE A 36 4.657 4.636 15.875 1.00 0.00 C ATOM 562 C PHE A 36 5.205 3.641 16.923 1.00 0.00 C ATOM 563 O PHE A 36 4.655 2.554 17.119 1.00 0.00 O ATOM 564 CB PHE A 36 4.367 6.016 16.492 1.00 0.00 C ATOM 565 CG PHE A 36 4.136 7.166 15.524 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.090 7.466 14.531 1.00 0.00 C ATOM 567 CD2 PHE A 36 2.994 7.980 15.656 1.00 0.00 C ATOM 568 CE1 PHE A 36 4.889 8.553 13.661 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.795 9.070 14.790 1.00 0.00 C ATOM 570 CZ PHE A 36 3.740 9.355 13.789 1.00 0.00 C ATOM 0 H PHE A 36 2.811 3.681 15.913 1.00 0.00 H new ATOM 0 HA PHE A 36 5.436 4.742 15.120 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.486 5.925 17.128 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.202 6.280 17.140 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.979 6.859 14.438 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.268 7.766 16.426 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.617 8.772 12.894 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.916 9.688 14.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.584 10.188 13.119 1.00 0.00 H new ATOM 580 N ALA A 37 6.321 3.986 17.575 1.00 0.00 N ATOM 581 CA ALA A 37 7.018 3.122 18.528 1.00 0.00 C ATOM 582 C ALA A 37 6.534 3.280 19.988 1.00 0.00 C ATOM 583 O ALA A 37 6.209 4.384 20.431 1.00 0.00 O ATOM 584 CB ALA A 37 8.510 3.469 18.424 1.00 0.00 C ATOM 0 H ALA A 37 6.772 4.892 17.451 1.00 0.00 H new ATOM 0 HA ALA A 37 6.812 2.082 18.273 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.077 2.849 19.118 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.856 3.285 17.407 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.657 4.520 18.673 1.00 0.00 H new ATOM 590 N HIS A 38 6.522 2.170 20.738 1.00 0.00 N ATOM 591 CA HIS A 38 6.152 2.065 22.162 1.00 0.00 C ATOM 592 C HIS A 38 7.329 1.515 23.015 1.00 0.00 C ATOM 593 O HIS A 38 7.288 0.358 23.449 1.00 0.00 O ATOM 594 CB HIS A 38 4.871 1.218 22.316 1.00 0.00 C ATOM 595 CG HIS A 38 3.631 1.755 21.636 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.532 1.017 21.250 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.355 3.062 21.328 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.630 1.858 20.712 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.089 3.120 20.730 1.00 0.00 N ATOM 0 H HIS A 38 6.785 1.266 20.347 1.00 0.00 H new ATOM 0 HA HIS A 38 5.938 3.064 22.543 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.071 0.220 21.926 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.658 1.108 23.379 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.004 3.905 21.515 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.669 1.559 20.320 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.613 3.951 20.380 1.00 0.00 H new ATOM 607 N PRO A 39 8.410 2.292 23.234 1.00 0.00 N ATOM 608 CA PRO A 39 9.596 1.864 23.985 1.00 0.00 C ATOM 609 C PRO A 39 9.392 1.779 25.506 1.00 0.00 C ATOM 610 O PRO A 39 8.458 2.350 26.073 1.00 0.00 O ATOM 611 CB PRO A 39 10.673 2.902 23.667 1.00 0.00 C ATOM 612 CG PRO A 39 9.848 4.175 23.478 1.00 0.00 C ATOM 613 CD PRO A 39 8.593 3.661 22.775 1.00 0.00 C ATOM 0 HA PRO A 39 9.858 0.849 23.686 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.395 3.001 24.478 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.235 2.644 22.769 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.613 4.650 24.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.376 4.914 22.875 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.727 4.275 23.023 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.710 3.697 21.692 1.00 0.00 H new ATOM 621 N SER A 40 10.334 1.110 26.172 1.00 0.00 N ATOM 622 CA SER A 40 10.418 0.985 27.631 1.00 0.00 C ATOM 623 C SER A 40 11.434 1.999 28.174 1.00 0.00 C ATOM 624 O SER A 40 12.293 2.495 27.439 1.00 0.00 O ATOM 625 CB SER A 40 10.846 -0.439 28.017 1.00 0.00 C ATOM 626 OG SER A 40 9.874 -1.383 27.593 1.00 0.00 O ATOM 0 H SER A 40 11.090 0.621 25.693 1.00 0.00 H new ATOM 0 HA SER A 40 9.438 1.186 28.063 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.809 -0.671 27.563 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.979 -0.505 29.097 1.00 0.00 H new ATOM 0 HG SER A 40 10.162 -2.285 27.845 1.00 0.00 H new ATOM 632 N LYS A 41 11.367 2.295 29.477 1.00 0.00 N ATOM 633 CA LYS A 41 12.257 3.259 30.167 1.00 0.00 C ATOM 634 C LYS A 41 13.758 2.964 30.016 1.00 0.00 C ATOM 635 O LYS A 41 14.580 3.878 30.091 1.00 0.00 O ATOM 636 CB LYS A 41 11.874 3.364 31.655 1.00 0.00 C ATOM 637 CG LYS A 41 10.470 3.958 31.864 1.00 0.00 C ATOM 638 CD LYS A 41 10.153 4.107 33.358 1.00 0.00 C ATOM 639 CE LYS A 41 8.755 4.706 33.545 1.00 0.00 C ATOM 640 NZ LYS A 41 8.429 4.861 34.978 1.00 0.00 N ATOM 0 H LYS A 41 10.682 1.867 30.101 1.00 0.00 H new ATOM 0 HA LYS A 41 12.099 4.216 29.669 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.917 2.374 32.108 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.607 3.983 32.172 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.406 4.931 31.376 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.726 3.316 31.393 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.209 3.135 33.848 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.897 4.746 33.833 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.703 5.676 33.050 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.014 4.064 33.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.477 5.269 35.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.457 3.931 35.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.123 5.493 35.426 1.00 0.00 H new ATOM 654 N SER A 42 14.109 1.698 29.793 1.00 0.00 N ATOM 655 CA SER A 42 15.485 1.215 29.599 1.00 0.00 C ATOM 656 C SER A 42 16.050 1.459 28.187 1.00 0.00 C ATOM 657 O SER A 42 17.265 1.357 27.998 1.00 0.00 O ATOM 658 CB SER A 42 15.553 -0.291 29.889 1.00 0.00 C ATOM 659 OG SER A 42 15.034 -0.579 31.181 1.00 0.00 O ATOM 0 H SER A 42 13.420 0.948 29.740 1.00 0.00 H new ATOM 0 HA SER A 42 16.096 1.791 30.294 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.987 -0.837 29.134 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.586 -0.633 29.822 1.00 0.00 H new ATOM 0 HG SER A 42 15.084 -1.544 31.346 1.00 0.00 H new ATOM 665 N CYS A 43 15.210 1.763 27.187 1.00 0.00 N ATOM 666 CA CYS A 43 15.654 1.991 25.807 1.00 0.00 C ATOM 667 C CYS A 43 16.304 3.377 25.609 1.00 0.00 C ATOM 668 O CYS A 43 16.117 4.295 26.411 1.00 0.00 O ATOM 669 CB CYS A 43 14.455 1.820 24.859 1.00 0.00 C ATOM 670 SG CYS A 43 13.787 0.132 24.971 1.00 0.00 S ATOM 0 H CYS A 43 14.202 1.857 27.314 1.00 0.00 H new ATOM 0 HA CYS A 43 16.425 1.255 25.579 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.678 2.542 25.112 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.762 2.028 23.834 1.00 0.00 H new ATOM 0 HG CYS A 43 12.775 0.011 24.164 1.00 0.00 H new ATOM 676 N GLN A 44 17.039 3.548 24.503 1.00 0.00 N ATOM 677 CA GLN A 44 17.696 4.801 24.083 1.00 0.00 C ATOM 678 C GLN A 44 16.695 5.846 23.530 1.00 0.00 C ATOM 679 O GLN A 44 16.860 6.377 22.429 1.00 0.00 O ATOM 680 CB GLN A 44 18.823 4.474 23.079 1.00 0.00 C ATOM 681 CG GLN A 44 19.992 3.706 23.717 1.00 0.00 C ATOM 682 CD GLN A 44 20.788 4.555 24.705 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.586 5.404 24.335 1.00 0.00 O ATOM 684 NE2 GLN A 44 20.610 4.367 25.996 1.00 0.00 N ATOM 0 H GLN A 44 17.202 2.786 23.845 1.00 0.00 H new ATOM 0 HA GLN A 44 18.136 5.271 24.962 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.412 3.884 22.260 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.198 5.402 22.647 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.605 2.826 24.230 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.659 3.350 22.932 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.948 3.663 26.322 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.134 4.926 26.670 1.00 0.00 H new ATOM 693 N VAL A 45 15.626 6.126 24.285 1.00 0.00 N ATOM 694 CA VAL A 45 14.580 7.103 23.938 1.00 0.00 C ATOM 695 C VAL A 45 15.119 8.527 24.136 1.00 0.00 C ATOM 696 O VAL A 45 15.654 8.852 25.199 1.00 0.00 O ATOM 697 CB VAL A 45 13.301 6.901 24.783 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.131 7.687 24.175 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.881 5.425 24.882 1.00 0.00 C ATOM 0 H VAL A 45 15.457 5.667 25.180 1.00 0.00 H new ATOM 0 HA VAL A 45 14.311 6.950 22.893 1.00 0.00 H new ATOM 0 HB VAL A 45 13.538 7.262 25.784 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.237 7.535 24.780 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.378 8.748 24.153 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.945 7.336 23.160 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.978 5.344 25.487 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.686 5.035 23.883 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.682 4.849 25.346 1.00 0.00 H new ATOM 709 N GLU A 46 14.989 9.386 23.125 1.00 0.00 N ATOM 710 CA GLU A 46 15.466 10.777 23.134 1.00 0.00 C ATOM 711 C GLU A 46 14.632 11.658 22.185 1.00 0.00 C ATOM 712 O GLU A 46 14.357 11.266 21.051 1.00 0.00 O ATOM 713 CB GLU A 46 16.946 10.781 22.705 1.00 0.00 C ATOM 714 CG GLU A 46 17.587 12.175 22.745 1.00 0.00 C ATOM 715 CD GLU A 46 19.072 12.100 22.377 1.00 0.00 C ATOM 716 OE1 GLU A 46 19.919 12.288 23.283 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.367 11.848 21.183 1.00 0.00 O ATOM 0 H GLU A 46 14.535 9.129 22.248 1.00 0.00 H new ATOM 0 HA GLU A 46 15.361 11.191 24.137 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.508 10.112 23.357 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.025 10.382 21.694 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.069 12.839 22.053 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.475 12.603 23.741 1.00 0.00 H new ATOM 724 N ASN A 47 14.248 12.861 22.634 1.00 0.00 N ATOM 725 CA ASN A 47 13.474 13.860 21.871 1.00 0.00 C ATOM 726 C ASN A 47 12.260 13.291 21.088 1.00 0.00 C ATOM 727 O ASN A 47 11.977 13.703 19.961 1.00 0.00 O ATOM 728 CB ASN A 47 14.466 14.669 21.006 1.00 0.00 C ATOM 729 CG ASN A 47 13.862 15.938 20.419 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.065 16.632 21.040 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.233 16.301 19.211 1.00 0.00 N ATOM 0 H ASN A 47 14.475 13.181 23.575 1.00 0.00 H new ATOM 0 HA ASN A 47 12.979 14.529 22.575 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.332 14.935 21.612 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.827 14.038 20.194 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.858 17.155 18.797 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.896 15.729 18.688 1.00 0.00 H new ATOM 738 N GLY A 48 11.549 12.314 21.667 1.00 0.00 N ATOM 739 CA GLY A 48 10.381 11.665 21.052 1.00 0.00 C ATOM 740 C GLY A 48 10.705 10.592 20.000 1.00 0.00 C ATOM 741 O GLY A 48 9.816 10.196 19.247 1.00 0.00 O ATOM 0 H GLY A 48 11.772 11.946 22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.782 11.209 21.840 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.763 12.432 20.586 1.00 0.00 H new ATOM 745 N ARG A 49 11.956 10.123 19.919 1.00 0.00 N ATOM 746 CA ARG A 49 12.454 9.093 18.986 1.00 0.00 C ATOM 747 C ARG A 49 13.261 8.027 19.739 1.00 0.00 C ATOM 748 O ARG A 49 13.654 8.234 20.885 1.00 0.00 O ATOM 749 CB ARG A 49 13.345 9.731 17.890 1.00 0.00 C ATOM 750 CG ARG A 49 12.627 10.541 16.797 1.00 0.00 C ATOM 751 CD ARG A 49 12.286 11.978 17.203 1.00 0.00 C ATOM 752 NE ARG A 49 11.573 12.688 16.127 1.00 0.00 N ATOM 753 CZ ARG A 49 10.968 13.859 16.239 1.00 0.00 C ATOM 754 NH1 ARG A 49 10.948 14.547 17.351 1.00 0.00 N ATOM 755 NH2 ARG A 49 10.351 14.379 15.213 1.00 0.00 N ATOM 0 H ARG A 49 12.692 10.468 20.535 1.00 0.00 H new ATOM 0 HA ARG A 49 11.590 8.624 18.516 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.068 10.385 18.378 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.911 8.935 17.406 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.256 10.566 15.907 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.707 10.025 16.523 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.671 11.967 18.103 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.202 12.515 17.450 1.00 0.00 H new ATOM 0 HE ARG A 49 11.543 12.236 15.213 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.413 14.185 18.183 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.467 15.446 17.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.335 13.882 14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.885 15.282 15.302 1.00 0.00 H new ATOM 769 N VAL A 50 13.546 6.899 19.087 1.00 0.00 N ATOM 770 CA VAL A 50 14.394 5.814 19.618 1.00 0.00 C ATOM 771 C VAL A 50 15.271 5.303 18.486 1.00 0.00 C ATOM 772 O VAL A 50 14.786 5.133 17.366 1.00 0.00 O ATOM 773 CB VAL A 50 13.605 4.587 20.123 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.468 3.755 21.087 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.287 4.898 20.809 1.00 0.00 C ATOM 0 H VAL A 50 13.188 6.703 18.152 1.00 0.00 H new ATOM 0 HA VAL A 50 14.943 6.241 20.457 1.00 0.00 H new ATOM 0 HB VAL A 50 13.359 4.034 19.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.898 2.893 21.434 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.364 3.412 20.570 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.754 4.369 21.941 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.813 3.969 21.125 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.470 5.527 21.680 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.630 5.422 20.115 1.00 0.00 H new ATOM 785 N ILE A 51 16.539 5.014 18.769 1.00 0.00 N ATOM 786 CA ILE A 51 17.454 4.408 17.795 1.00 0.00 C ATOM 787 C ILE A 51 17.077 2.920 17.674 1.00 0.00 C ATOM 788 O ILE A 51 16.963 2.224 18.687 1.00 0.00 O ATOM 789 CB ILE A 51 18.925 4.606 18.229 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.228 6.094 18.533 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.860 4.093 17.120 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.665 6.379 18.976 1.00 0.00 C ATOM 0 H ILE A 51 16.965 5.192 19.679 1.00 0.00 H new ATOM 0 HA ILE A 51 17.361 4.887 16.820 1.00 0.00 H new ATOM 0 HB ILE A 51 19.093 4.038 19.144 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.014 6.683 17.641 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.548 6.437 19.313 1.00 0.00 H new ATOM 0 HG21 ILE A 51 20.897 4.232 17.425 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.672 3.033 16.947 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.674 4.649 16.201 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.782 7.446 19.166 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.882 5.822 19.887 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.356 6.072 18.190 1.00 0.00 H new ATOM 804 N ALA A 52 16.854 2.429 16.454 1.00 0.00 N ATOM 805 CA ALA A 52 16.495 1.036 16.184 1.00 0.00 C ATOM 806 C ALA A 52 17.728 0.110 16.121 1.00 0.00 C ATOM 807 O ALA A 52 18.834 0.541 15.779 1.00 0.00 O ATOM 808 CB ALA A 52 15.683 0.977 14.885 1.00 0.00 C ATOM 0 H ALA A 52 16.919 2.999 15.610 1.00 0.00 H new ATOM 0 HA ALA A 52 15.890 0.667 17.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.410 -0.057 14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.779 1.576 14.993 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.282 1.369 14.063 1.00 0.00 H new ATOM 814 N CYS A 53 17.529 -1.168 16.453 1.00 0.00 N ATOM 815 CA CYS A 53 18.560 -2.207 16.442 1.00 0.00 C ATOM 816 C CYS A 53 18.971 -2.561 14.993 1.00 0.00 C ATOM 817 O CYS A 53 18.193 -3.164 14.243 1.00 0.00 O ATOM 818 CB CYS A 53 18.004 -3.407 17.229 1.00 0.00 C ATOM 819 SG CYS A 53 19.205 -4.767 17.425 1.00 0.00 S ATOM 0 H CYS A 53 16.617 -1.518 16.746 1.00 0.00 H new ATOM 0 HA CYS A 53 19.477 -1.864 16.921 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.686 -3.069 18.215 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.118 -3.786 16.720 1.00 0.00 H new ATOM 0 HG CYS A 53 19.412 -4.984 18.690 1.00 0.00 H new ATOM 824 N PHE A 54 20.186 -2.179 14.578 1.00 0.00 N ATOM 825 CA PHE A 54 20.726 -2.476 13.243 1.00 0.00 C ATOM 826 C PHE A 54 20.793 -3.993 13.010 1.00 0.00 C ATOM 827 O PHE A 54 20.416 -4.476 11.943 1.00 0.00 O ATOM 828 CB PHE A 54 22.124 -1.858 13.077 1.00 0.00 C ATOM 829 CG PHE A 54 22.810 -2.143 11.750 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.570 -3.318 11.587 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.725 -1.225 10.689 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.258 -3.562 10.385 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.403 -1.474 9.482 1.00 0.00 C ATOM 834 CZ PHE A 54 24.179 -2.636 9.333 1.00 0.00 C ATOM 0 H PHE A 54 20.829 -1.649 15.166 1.00 0.00 H new ATOM 0 HA PHE A 54 20.057 -2.038 12.502 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.042 -0.778 13.200 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.762 -2.223 13.882 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.625 -4.037 12.391 1.00 0.00 H new ATOM 0 HD2 PHE A 54 22.137 -0.326 10.801 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.846 -4.461 10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 54 23.327 -0.770 8.667 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.713 -2.816 8.412 1.00 0.00 H new ATOM 844 N ASP A 55 21.230 -4.760 14.012 1.00 0.00 N ATOM 845 CA ASP A 55 21.289 -6.220 13.928 1.00 0.00 C ATOM 846 C ASP A 55 19.889 -6.832 13.692 1.00 0.00 C ATOM 847 O ASP A 55 19.738 -7.700 12.824 1.00 0.00 O ATOM 848 CB ASP A 55 21.985 -6.776 15.177 1.00 0.00 C ATOM 849 CG ASP A 55 23.505 -6.580 15.155 1.00 0.00 C ATOM 850 OD1 ASP A 55 24.057 -6.166 16.202 1.00 0.00 O ATOM 851 OD2 ASP A 55 24.127 -6.923 14.121 1.00 0.00 O ATOM 0 H ASP A 55 21.553 -4.386 14.904 1.00 0.00 H new ATOM 0 HA ASP A 55 21.883 -6.509 13.061 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.575 -6.289 16.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.763 -7.839 15.267 1.00 0.00 H new ATOM 856 N SER A 56 18.846 -6.348 14.379 1.00 0.00 N ATOM 857 CA SER A 56 17.458 -6.778 14.145 1.00 0.00 C ATOM 858 C SER A 56 16.958 -6.354 12.755 1.00 0.00 C ATOM 859 O SER A 56 16.320 -7.146 12.057 1.00 0.00 O ATOM 860 CB SER A 56 16.535 -6.214 15.229 1.00 0.00 C ATOM 861 OG SER A 56 15.213 -6.705 15.067 1.00 0.00 O ATOM 0 H SER A 56 18.939 -5.647 15.114 1.00 0.00 H new ATOM 0 HA SER A 56 17.441 -7.867 14.189 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.912 -6.489 16.214 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.532 -5.125 15.181 1.00 0.00 H new ATOM 0 HG SER A 56 14.638 -6.335 15.769 1.00 0.00 H new ATOM 867 N LEU A 57 17.288 -5.137 12.297 1.00 0.00 N ATOM 868 CA LEU A 57 16.942 -4.635 10.958 1.00 0.00 C ATOM 869 C LEU A 57 17.554 -5.498 9.837 1.00 0.00 C ATOM 870 O LEU A 57 16.920 -5.689 8.797 1.00 0.00 O ATOM 871 CB LEU A 57 17.387 -3.165 10.829 1.00 0.00 C ATOM 872 CG LEU A 57 16.466 -2.179 11.568 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.197 -0.859 11.804 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.205 -1.897 10.747 1.00 0.00 C ATOM 0 H LEU A 57 17.811 -4.463 12.856 1.00 0.00 H new ATOM 0 HA LEU A 57 15.860 -4.697 10.842 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.400 -3.065 11.218 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.423 -2.896 9.773 1.00 0.00 H new ATOM 0 HG LEU A 57 16.186 -2.629 12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.538 -0.167 12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.087 -1.039 12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.488 -0.428 10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.568 -1.198 11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.485 -1.464 9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.663 -2.828 10.581 1.00 0.00 H new ATOM 886 N LYS A 58 18.745 -6.073 10.063 1.00 0.00 N ATOM 887 CA LYS A 58 19.415 -7.020 9.147 1.00 0.00 C ATOM 888 C LYS A 58 18.917 -8.472 9.324 1.00 0.00 C ATOM 889 O LYS A 58 19.381 -9.373 8.622 1.00 0.00 O ATOM 890 CB LYS A 58 20.946 -6.902 9.297 1.00 0.00 C ATOM 891 CG LYS A 58 21.538 -5.542 8.868 1.00 0.00 C ATOM 892 CD LYS A 58 21.294 -5.176 7.395 1.00 0.00 C ATOM 893 CE LYS A 58 22.049 -3.890 7.040 1.00 0.00 C ATOM 894 NZ LYS A 58 21.814 -3.486 5.637 1.00 0.00 N ATOM 0 H LYS A 58 19.286 -5.890 10.908 1.00 0.00 H new ATOM 0 HA LYS A 58 19.149 -6.747 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.210 -7.084 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.416 -7.689 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.114 -4.760 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.612 -5.553 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.624 -5.991 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 58 20.227 -5.041 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.734 -3.088 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.117 -4.039 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.341 -2.613 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.137 -4.241 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.798 -3.320 5.489 1.00 0.00 H new ATOM 908 N GLY A 59 17.949 -8.702 10.218 1.00 0.00 N ATOM 909 CA GLY A 59 17.272 -9.982 10.464 1.00 0.00 C ATOM 910 C GLY A 59 17.875 -10.919 11.514 1.00 0.00 C ATOM 911 O GLY A 59 17.398 -12.051 11.634 1.00 0.00 O ATOM 0 H GLY A 59 17.597 -7.960 10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.245 -9.766 10.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.226 -10.523 9.519 1.00 0.00 H new ATOM 915 N ARG A 60 18.878 -10.486 12.290 1.00 0.00 N ATOM 916 CA ARG A 60 19.485 -11.297 13.360 1.00 0.00 C ATOM 917 C ARG A 60 20.112 -10.429 14.455 1.00 0.00 C ATOM 918 O ARG A 60 21.289 -10.067 14.373 1.00 0.00 O ATOM 919 CB ARG A 60 20.503 -12.299 12.778 1.00 0.00 C ATOM 920 CG ARG A 60 21.070 -13.265 13.836 1.00 0.00 C ATOM 921 CD ARG A 60 20.003 -14.179 14.456 1.00 0.00 C ATOM 922 NE ARG A 60 20.600 -15.345 15.137 1.00 0.00 N ATOM 923 CZ ARG A 60 21.151 -15.384 16.340 1.00 0.00 C ATOM 924 NH1 ARG A 60 21.283 -14.339 17.115 1.00 0.00 N ATOM 925 NH2 ARG A 60 21.599 -16.518 16.808 1.00 0.00 N ATOM 0 H ARG A 60 19.294 -9.560 12.195 1.00 0.00 H new ATOM 0 HA ARG A 60 18.685 -11.866 13.833 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.025 -12.876 11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.324 -11.749 12.319 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.845 -13.880 13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 60 21.548 -12.687 14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.407 -13.609 15.169 1.00 0.00 H new ATOM 0 HD3 ARG A 60 19.324 -14.523 13.676 1.00 0.00 H new ATOM 0 HE ARG A 60 20.586 -16.224 14.620 1.00 0.00 H new ATOM 0 HH11 ARG A 60 20.952 -13.427 16.802 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.717 -14.436 18.033 1.00 0.00 H new ATOM 0 HH21 ARG A 60 21.523 -17.367 16.247 1.00 0.00 H new ATOM 0 HH22 ARG A 60 22.025 -16.555 17.734 1.00 0.00 H new ATOM 939 N CYS A 61 19.321 -10.146 15.490 1.00 0.00 N ATOM 940 CA CYS A 61 19.757 -9.417 16.690 1.00 0.00 C ATOM 941 C CYS A 61 21.000 -10.120 17.291 1.00 0.00 C ATOM 942 O CYS A 61 21.052 -11.356 17.337 1.00 0.00 O ATOM 943 CB CYS A 61 18.584 -9.323 17.681 1.00 0.00 C ATOM 944 SG CYS A 61 18.949 -8.136 19.020 1.00 0.00 S ATOM 0 H CYS A 61 18.339 -10.421 15.522 1.00 0.00 H new ATOM 0 HA CYS A 61 20.052 -8.397 16.442 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.682 -9.014 17.153 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.384 -10.306 18.107 1.00 0.00 H new ATOM 0 HG CYS A 61 19.052 -6.939 18.523 1.00 0.00 H new ATOM 949 N SER A 62 22.014 -9.347 17.698 1.00 0.00 N ATOM 950 CA SER A 62 23.318 -9.860 18.164 1.00 0.00 C ATOM 951 C SER A 62 23.876 -9.149 19.413 1.00 0.00 C ATOM 952 O SER A 62 25.092 -8.981 19.548 1.00 0.00 O ATOM 953 CB SER A 62 24.337 -9.820 17.008 1.00 0.00 C ATOM 954 OG SER A 62 23.936 -10.627 15.907 1.00 0.00 O ATOM 0 H SER A 62 21.955 -8.329 17.715 1.00 0.00 H new ATOM 0 HA SER A 62 23.145 -10.889 18.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.464 -8.790 16.674 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.307 -10.159 17.370 1.00 0.00 H new ATOM 0 HG SER A 62 23.073 -10.310 15.566 1.00 0.00 H new ATOM 1013 N CYS A 66 20.376 -5.543 24.817 1.00 0.00 N ATOM 1014 CA CYS A 66 19.897 -4.746 23.689 1.00 0.00 C ATOM 1015 C CYS A 66 19.013 -3.584 24.196 1.00 0.00 C ATOM 1016 O CYS A 66 17.934 -3.775 24.770 1.00 0.00 O ATOM 1017 CB CYS A 66 19.164 -5.723 22.746 1.00 0.00 C ATOM 1018 SG CYS A 66 18.867 -5.019 21.093 1.00 0.00 S ATOM 0 HA CYS A 66 20.707 -4.266 23.139 1.00 0.00 H new ATOM 0 HB2 CYS A 66 19.752 -6.635 22.647 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.211 -6.005 23.192 1.00 0.00 H new ATOM 0 HG CYS A 66 18.798 -5.979 20.219 1.00 0.00 H new ATOM 1023 N LYS A 67 19.543 -2.364 24.028 1.00 0.00 N ATOM 1024 CA LYS A 67 18.983 -1.074 24.488 1.00 0.00 C ATOM 1025 C LYS A 67 18.261 -0.267 23.397 1.00 0.00 C ATOM 1026 O LYS A 67 17.871 0.880 23.624 1.00 0.00 O ATOM 1027 CB LYS A 67 20.121 -0.258 25.137 1.00 0.00 C ATOM 1028 CG LYS A 67 21.207 0.195 24.140 1.00 0.00 C ATOM 1029 CD LYS A 67 22.291 1.023 24.843 1.00 0.00 C ATOM 1030 CE LYS A 67 23.214 1.688 23.818 1.00 0.00 C ATOM 1031 NZ LYS A 67 24.189 2.580 24.477 1.00 0.00 N ATOM 0 H LYS A 67 20.429 -2.238 23.538 1.00 0.00 H new ATOM 0 HA LYS A 67 18.201 -1.294 25.215 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.695 0.621 25.621 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.586 -0.858 25.919 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.660 -0.678 23.669 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.752 0.786 23.345 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.825 1.785 25.469 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.875 0.381 25.503 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.743 0.922 23.251 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.619 2.259 23.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.801 3.017 23.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.682 3.324 24.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.772 2.029 25.139 1.00 0.00 H new ATOM 1045 N TYR A 68 18.100 -0.846 22.213 1.00 0.00 N ATOM 1046 CA TYR A 68 17.492 -0.218 21.041 1.00 0.00 C ATOM 1047 C TYR A 68 16.064 -0.726 20.774 1.00 0.00 C ATOM 1048 O TYR A 68 15.610 -1.714 21.358 1.00 0.00 O ATOM 1049 CB TYR A 68 18.426 -0.483 19.847 1.00 0.00 C ATOM 1050 CG TYR A 68 19.837 0.066 20.003 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.035 1.430 20.301 1.00 0.00 C ATOM 1052 CD2 TYR A 68 20.951 -0.783 19.842 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.339 1.943 20.443 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.255 -0.276 19.992 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.451 1.090 20.287 1.00 0.00 C ATOM 1056 OH TYR A 68 23.710 1.583 20.421 1.00 0.00 O ATOM 0 H TYR A 68 18.401 -1.804 22.034 1.00 0.00 H new ATOM 0 HA TYR A 68 17.383 0.853 21.211 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.486 -1.559 19.684 1.00 0.00 H new ATOM 0 HB3 TYR A 68 17.980 -0.049 18.952 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.184 2.084 20.421 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.803 -1.826 19.603 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.487 2.988 20.671 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.106 -0.932 19.881 1.00 0.00 H new ATOM 0 HH TYR A 68 24.360 0.862 20.284 1.00 0.00 H new ATOM 1066 N LEU A 69 15.344 -0.054 19.871 1.00 0.00 N ATOM 1067 CA LEU A 69 13.970 -0.396 19.499 1.00 0.00 C ATOM 1068 C LEU A 69 13.944 -1.482 18.411 1.00 0.00 C ATOM 1069 O LEU A 69 14.656 -1.387 17.410 1.00 0.00 O ATOM 1070 CB LEU A 69 13.307 0.885 18.951 1.00 0.00 C ATOM 1071 CG LEU A 69 11.918 0.703 18.307 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.844 0.384 19.347 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.535 1.976 17.563 1.00 0.00 C ATOM 0 H LEU A 69 15.707 0.757 19.370 1.00 0.00 H new ATOM 0 HA LEU A 69 13.440 -0.781 20.370 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.216 1.601 19.767 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.974 1.328 18.211 1.00 0.00 H new ATOM 0 HG LEU A 69 11.978 -0.139 17.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.881 0.264 18.851 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.103 -0.539 19.866 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.781 1.200 20.067 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.553 1.849 17.107 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.505 2.811 18.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.272 2.179 16.786 1.00 0.00 H new ATOM 1085 N HIS A 70 13.072 -2.482 18.584 1.00 0.00 N ATOM 1086 CA HIS A 70 12.787 -3.484 17.552 1.00 0.00 C ATOM 1087 C HIS A 70 11.419 -3.106 16.940 1.00 0.00 C ATOM 1088 O HIS A 70 10.385 -3.337 17.579 1.00 0.00 O ATOM 1089 CB HIS A 70 12.720 -4.888 18.182 1.00 0.00 C ATOM 1090 CG HIS A 70 14.049 -5.538 18.485 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.270 -6.896 18.561 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.258 -4.925 18.692 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.579 -7.096 18.791 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.225 -5.921 18.877 1.00 0.00 N ATOM 0 H HIS A 70 12.543 -2.619 19.446 1.00 0.00 H new ATOM 0 HA HIS A 70 13.567 -3.501 16.791 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.150 -4.823 19.109 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.163 -5.541 17.510 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.434 -3.860 18.709 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.046 -8.065 18.892 1.00 0.00 H new ATOM 0 HE2 HIS A 70 17.222 -5.782 19.044 1.00 0.00 H new ATOM 1102 N PRO A 71 11.375 -2.530 15.723 1.00 0.00 N ATOM 1103 CA PRO A 71 10.129 -2.107 15.084 1.00 0.00 C ATOM 1104 C PRO A 71 9.458 -3.234 14.267 1.00 0.00 C ATOM 1105 O PRO A 71 10.132 -4.185 13.855 1.00 0.00 O ATOM 1106 CB PRO A 71 10.570 -0.956 14.180 1.00 0.00 C ATOM 1107 CG PRO A 71 11.952 -1.396 13.703 1.00 0.00 C ATOM 1108 CD PRO A 71 12.519 -2.147 14.905 1.00 0.00 C ATOM 0 HA PRO A 71 9.373 -1.823 15.816 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.883 -0.813 13.346 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.613 -0.012 14.723 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.888 -2.036 12.823 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.574 -0.543 13.432 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.080 -3.025 14.586 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.207 -1.517 15.469 1.00 0.00 H new ATOM 1116 N PRO A 72 8.143 -3.140 13.988 1.00 0.00 N ATOM 1117 CA PRO A 72 7.419 -4.118 13.171 1.00 0.00 C ATOM 1118 C PRO A 72 7.765 -3.988 11.674 1.00 0.00 C ATOM 1119 O PRO A 72 8.229 -2.926 11.246 1.00 0.00 O ATOM 1120 CB PRO A 72 5.941 -3.808 13.423 1.00 0.00 C ATOM 1121 CG PRO A 72 5.940 -2.300 13.659 1.00 0.00 C ATOM 1122 CD PRO A 72 7.243 -2.081 14.423 1.00 0.00 C ATOM 0 HA PRO A 72 7.684 -5.141 13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.320 -4.083 12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.556 -4.352 14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.921 -1.743 12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.073 -1.981 14.237 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.662 -1.098 14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.077 -2.127 15.499 1.00 0.00 H new ATOM 1130 N PRO A 73 7.520 -5.027 10.847 1.00 0.00 N ATOM 1131 CA PRO A 73 7.808 -5.024 9.406 1.00 0.00 C ATOM 1132 C PRO A 73 7.381 -3.762 8.640 1.00 0.00 C ATOM 1133 O PRO A 73 8.162 -3.238 7.843 1.00 0.00 O ATOM 1134 CB PRO A 73 7.129 -6.280 8.852 1.00 0.00 C ATOM 1135 CG PRO A 73 7.167 -7.242 10.036 1.00 0.00 C ATOM 1136 CD PRO A 73 6.968 -6.319 11.237 1.00 0.00 C ATOM 0 HA PRO A 73 8.889 -5.023 9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.108 -6.078 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.662 -6.680 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.380 -7.994 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.115 -7.777 10.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.912 -6.231 11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.476 -6.710 12.118 1.00 0.00 H new ATOM 1144 N HIS A 74 6.175 -3.229 8.891 1.00 0.00 N ATOM 1145 CA HIS A 74 5.690 -2.007 8.220 1.00 0.00 C ATOM 1146 C HIS A 74 6.552 -0.767 8.501 1.00 0.00 C ATOM 1147 O HIS A 74 6.708 0.074 7.612 1.00 0.00 O ATOM 1148 CB HIS A 74 4.195 -1.777 8.505 1.00 0.00 C ATOM 1149 CG HIS A 74 3.839 -1.448 9.936 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.450 -2.354 10.907 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.724 -0.194 10.471 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.106 -1.662 12.010 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.280 -0.349 11.771 1.00 0.00 N ATOM 0 H HIS A 74 5.513 -3.626 9.557 1.00 0.00 H new ATOM 0 HA HIS A 74 5.796 -2.175 7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.844 -0.965 7.868 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.647 -2.672 8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.939 0.740 9.972 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.749 -2.091 12.935 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.112 0.405 12.437 1.00 0.00 H new ATOM 1162 N LEU A 75 7.166 -0.673 9.688 1.00 0.00 N ATOM 1163 CA LEU A 75 8.110 0.395 10.042 1.00 0.00 C ATOM 1164 C LEU A 75 9.541 0.052 9.590 1.00 0.00 C ATOM 1165 O LEU A 75 10.269 0.962 9.188 1.00 0.00 O ATOM 1166 CB LEU A 75 8.041 0.725 11.544 1.00 0.00 C ATOM 1167 CG LEU A 75 6.730 1.380 12.027 1.00 0.00 C ATOM 1168 CD1 LEU A 75 6.883 1.866 13.470 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.303 2.586 11.186 1.00 0.00 C ATOM 0 H LEU A 75 7.019 -1.346 10.440 1.00 0.00 H new ATOM 0 HA LEU A 75 7.814 1.295 9.503 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.194 -0.196 12.107 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.869 1.390 11.789 1.00 0.00 H new ATOM 0 HG LEU A 75 5.968 0.606 11.935 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.952 2.326 13.800 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.118 1.020 14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.689 2.598 13.524 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.374 2.996 11.583 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.081 3.349 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.150 2.273 10.153 1.00 0.00 H new ATOM 1181 N LYS A 76 9.934 -1.235 9.560 1.00 0.00 N ATOM 1182 CA LYS A 76 11.243 -1.664 9.018 1.00 0.00 C ATOM 1183 C LYS A 76 11.401 -1.213 7.566 1.00 0.00 C ATOM 1184 O LYS A 76 12.463 -0.724 7.194 1.00 0.00 O ATOM 1185 CB LYS A 76 11.462 -3.186 9.129 1.00 0.00 C ATOM 1186 CG LYS A 76 11.723 -3.632 10.572 1.00 0.00 C ATOM 1187 CD LYS A 76 12.229 -5.078 10.658 1.00 0.00 C ATOM 1188 CE LYS A 76 12.618 -5.406 12.104 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.234 -6.744 12.215 1.00 0.00 N ATOM 0 H LYS A 76 9.360 -2.004 9.907 1.00 0.00 H new ATOM 0 HA LYS A 76 12.006 -1.183 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.585 -3.706 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.306 -3.476 8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.456 -2.966 11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.804 -3.537 11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.455 -5.765 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.088 -5.212 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.315 -4.653 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.733 -5.359 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.971 -7.173 13.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.897 -7.347 11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.269 -6.655 12.161 1.00 0.00 H new ATOM 1203 N THR A 77 10.341 -1.302 6.758 1.00 0.00 N ATOM 1204 CA THR A 77 10.355 -0.810 5.369 1.00 0.00 C ATOM 1205 C THR A 77 10.650 0.694 5.300 1.00 0.00 C ATOM 1206 O THR A 77 11.450 1.118 4.467 1.00 0.00 O ATOM 1207 CB THR A 77 9.029 -1.116 4.656 1.00 0.00 C ATOM 1208 OG1 THR A 77 8.807 -2.511 4.650 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.045 -0.655 3.199 1.00 0.00 C ATOM 0 H THR A 77 9.452 -1.714 7.042 1.00 0.00 H new ATOM 0 HA THR A 77 11.159 -1.339 4.857 1.00 0.00 H new ATOM 0 HB THR A 77 8.246 -0.584 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.609 -2.815 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.089 -0.891 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.213 0.421 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.845 -1.167 2.664 1.00 0.00 H new ATOM 1217 N GLN A 78 10.072 1.513 6.191 1.00 0.00 N ATOM 1218 CA GLN A 78 10.342 2.961 6.212 1.00 0.00 C ATOM 1219 C GLN A 78 11.801 3.239 6.606 1.00 0.00 C ATOM 1220 O GLN A 78 12.452 4.107 6.024 1.00 0.00 O ATOM 1221 CB GLN A 78 9.387 3.718 7.157 1.00 0.00 C ATOM 1222 CG GLN A 78 7.906 3.313 7.081 1.00 0.00 C ATOM 1223 CD GLN A 78 7.355 3.135 5.667 1.00 0.00 C ATOM 1224 OE1 GLN A 78 7.499 3.979 4.793 1.00 0.00 O ATOM 1225 NE2 GLN A 78 6.710 2.020 5.391 1.00 0.00 N ATOM 0 H GLN A 78 9.416 1.199 6.906 1.00 0.00 H new ATOM 0 HA GLN A 78 10.168 3.329 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.731 3.574 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.464 4.784 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.772 2.379 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.312 4.069 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.585 1.311 6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.335 1.866 4.455 1.00 0.00 H new ATOM 1234 N LEU A 79 12.327 2.461 7.560 1.00 0.00 N ATOM 1235 CA LEU A 79 13.719 2.523 8.005 1.00 0.00 C ATOM 1236 C LEU A 79 14.665 2.189 6.836 1.00 0.00 C ATOM 1237 O LEU A 79 15.616 2.924 6.576 1.00 0.00 O ATOM 1238 CB LEU A 79 13.884 1.560 9.202 1.00 0.00 C ATOM 1239 CG LEU A 79 15.032 1.850 10.183 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.421 1.779 9.558 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.852 3.202 10.864 1.00 0.00 C ATOM 0 H LEU A 79 11.781 1.755 8.054 1.00 0.00 H new ATOM 0 HA LEU A 79 13.982 3.528 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.951 1.558 9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.022 0.553 8.809 1.00 0.00 H new ATOM 0 HG LEU A 79 14.975 1.050 10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.173 1.996 10.317 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.589 0.780 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.496 2.511 8.753 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.680 3.376 11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.834 3.989 10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.913 3.208 11.418 1.00 0.00 H new ATOM 1253 N GLU A 80 14.376 1.121 6.083 1.00 0.00 N ATOM 1254 CA GLU A 80 15.164 0.727 4.909 1.00 0.00 C ATOM 1255 C GLU A 80 15.132 1.802 3.810 1.00 0.00 C ATOM 1256 O GLU A 80 16.161 2.090 3.203 1.00 0.00 O ATOM 1257 CB GLU A 80 14.679 -0.625 4.365 1.00 0.00 C ATOM 1258 CG GLU A 80 15.101 -1.788 5.272 1.00 0.00 C ATOM 1259 CD GLU A 80 14.504 -3.108 4.773 1.00 0.00 C ATOM 1260 OE1 GLU A 80 15.139 -3.736 3.892 1.00 0.00 O ATOM 1261 OE2 GLU A 80 13.413 -3.488 5.261 1.00 0.00 O ATOM 0 H GLU A 80 13.586 0.504 6.271 1.00 0.00 H new ATOM 0 HA GLU A 80 16.201 0.623 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 80 13.593 -0.611 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.082 -0.780 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.188 -1.861 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.772 -1.597 6.293 1.00 0.00 H new ATOM 1268 N ILE A 81 13.982 2.446 3.578 1.00 0.00 N ATOM 1269 CA ILE A 81 13.870 3.557 2.619 1.00 0.00 C ATOM 1270 C ILE A 81 14.758 4.729 3.077 1.00 0.00 C ATOM 1271 O ILE A 81 15.536 5.256 2.279 1.00 0.00 O ATOM 1272 CB ILE A 81 12.386 3.959 2.426 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.650 2.850 1.635 1.00 0.00 C ATOM 1274 CG2 ILE A 81 12.257 5.302 1.682 1.00 0.00 C ATOM 1275 CD1 ILE A 81 10.120 2.956 1.691 1.00 0.00 C ATOM 0 H ILE A 81 13.106 2.215 4.046 1.00 0.00 H new ATOM 0 HA ILE A 81 14.232 3.242 1.640 1.00 0.00 H new ATOM 0 HB ILE A 81 11.934 4.077 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.969 2.888 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.951 1.878 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.203 5.553 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.754 6.085 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.722 5.220 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.678 2.144 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.788 2.887 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.806 3.912 1.273 1.00 0.00 H new ATOM 1287 N ASN A 82 14.695 5.115 4.359 1.00 0.00 N ATOM 1288 CA ASN A 82 15.521 6.191 4.920 1.00 0.00 C ATOM 1289 C ASN A 82 17.025 5.864 4.855 1.00 0.00 C ATOM 1290 O ASN A 82 17.839 6.759 4.621 1.00 0.00 O ATOM 1291 CB ASN A 82 15.084 6.470 6.375 1.00 0.00 C ATOM 1292 CG ASN A 82 15.432 7.866 6.888 1.00 0.00 C ATOM 1293 OD1 ASN A 82 14.625 8.526 7.523 1.00 0.00 O ATOM 1294 ND2 ASN A 82 16.614 8.386 6.632 1.00 0.00 N ATOM 0 H ASN A 82 14.066 4.687 5.039 1.00 0.00 H new ATOM 0 HA ASN A 82 15.368 7.085 4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.006 6.328 6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.549 5.731 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 82 16.841 9.324 6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.303 7.851 6.103 1.00 0.00 H new ATOM 1301 N GLY A 83 17.402 4.603 5.070 1.00 0.00 N ATOM 1302 CA GLY A 83 18.795 4.164 5.055 1.00 0.00 C ATOM 1303 C GLY A 83 19.374 4.070 3.644 1.00 0.00 C ATOM 1304 O GLY A 83 20.398 4.684 3.346 1.00 0.00 O ATOM 0 H GLY A 83 16.740 3.851 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.396 4.858 5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.869 3.190 5.538 1.00 0.00 H new