USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 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 53 CYS SG : rot 129:sc= 1.04 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 61 CYS SG : rot 74:sc= 0.519 USER MOD Set 1.4: A 66 CYS SG : rot -158:sc= 0.537 USER MOD Set 1.5: A 70 HIS : no HE2:sc= 0.0323 X(o=2.1,f=1.7) USER MOD Set 2.1: A 19 CYS SG : rot 134:sc= 1.08 USER MOD Set 2.2: A 27 CYS SG : rot 133:sc= 0.987 USER MOD Set 2.3: A 34 CYS SG : rot 132:sc= 1 USER MOD Set 2.4: A 38 HIS : no HD1:sc= -0.162 K(o=2.9,f=1.4) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 15 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.718 K(o=0.72,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0298 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= 0.317 USER MOD Single : A 44 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.22) USER MOD Single : A 47 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.54) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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= 0.143 K(o=0.14,f=-0.74) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= 0.582 (180deg=0.166) USER MOD Single : A 77 THR OG1 : rot 74:sc= 0.911 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 82 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 142 N ASP A 10 25.648 8.534 11.060 1.00 0.00 N ATOM 143 CA ASP A 10 24.368 9.208 11.306 1.00 0.00 C ATOM 144 C ASP A 10 23.249 8.365 11.961 1.00 0.00 C ATOM 145 O ASP A 10 22.498 7.667 11.290 1.00 0.00 O ATOM 146 CB ASP A 10 23.898 9.800 9.964 1.00 0.00 C ATOM 147 CG ASP A 10 22.553 10.518 10.090 1.00 0.00 C ATOM 148 OD1 ASP A 10 21.677 10.291 9.224 1.00 0.00 O ATOM 149 OD2 ASP A 10 22.391 11.267 11.082 1.00 0.00 O ATOM 0 HA ASP A 10 24.560 9.970 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.648 10.499 9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.815 9.002 9.226 1.00 0.00 H new ATOM 154 N THR A 11 23.035 8.498 13.268 1.00 0.00 N ATOM 155 CA THR A 11 21.932 7.819 13.987 1.00 0.00 C ATOM 156 C THR A 11 20.525 8.201 13.496 1.00 0.00 C ATOM 157 O THR A 11 19.571 7.456 13.736 1.00 0.00 O ATOM 158 CB THR A 11 22.000 8.107 15.496 1.00 0.00 C ATOM 159 OG1 THR A 11 22.094 9.498 15.715 1.00 0.00 O ATOM 160 CG2 THR A 11 23.213 7.444 16.146 1.00 0.00 C ATOM 0 H THR A 11 23.618 9.079 13.871 1.00 0.00 H new ATOM 0 HA THR A 11 22.081 6.760 13.778 1.00 0.00 H new ATOM 0 HB THR A 11 21.092 7.702 15.942 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.135 9.676 16.678 1.00 0.00 H new ATOM 0 HG21 THR A 11 23.225 7.672 17.212 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.156 6.365 16.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 24.125 7.822 15.684 1.00 0.00 H new ATOM 168 N LYS A 12 20.363 9.327 12.782 1.00 0.00 N ATOM 169 CA LYS A 12 19.051 9.797 12.299 1.00 0.00 C ATOM 170 C LYS A 12 18.412 8.882 11.257 1.00 0.00 C ATOM 171 O LYS A 12 17.185 8.825 11.175 1.00 0.00 O ATOM 172 CB LYS A 12 19.111 11.249 11.805 1.00 0.00 C ATOM 173 CG LYS A 12 19.641 12.229 12.867 1.00 0.00 C ATOM 174 CD LYS A 12 18.931 12.176 14.232 1.00 0.00 C ATOM 175 CE LYS A 12 17.408 12.332 14.120 1.00 0.00 C ATOM 176 NZ LYS A 12 16.761 12.215 15.444 1.00 0.00 N ATOM 0 H LYS A 12 21.137 9.938 12.523 1.00 0.00 H new ATOM 0 HA LYS A 12 18.395 9.761 13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.749 11.300 10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.114 11.562 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.702 12.031 13.021 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.559 13.242 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.159 11.227 14.718 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.326 12.965 14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.170 13.301 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.010 11.571 13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.732 12.324 15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.970 11.281 15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.125 12.957 16.075 1.00 0.00 H new ATOM 190 N TRP A 13 19.214 8.129 10.502 1.00 0.00 N ATOM 191 CA TRP A 13 18.666 7.129 9.574 1.00 0.00 C ATOM 192 C TRP A 13 18.212 5.859 10.327 1.00 0.00 C ATOM 193 O TRP A 13 17.299 5.177 9.865 1.00 0.00 O ATOM 194 CB TRP A 13 19.628 6.844 8.411 1.00 0.00 C ATOM 195 CG TRP A 13 20.694 5.811 8.615 1.00 0.00 C ATOM 196 CD1 TRP A 13 21.986 6.063 8.919 1.00 0.00 C ATOM 197 CD2 TRP A 13 20.598 4.358 8.483 1.00 0.00 C ATOM 198 NE1 TRP A 13 22.687 4.876 9.020 1.00 0.00 N ATOM 199 CE2 TRP A 13 21.881 3.792 8.753 1.00 0.00 C ATOM 200 CE3 TRP A 13 19.556 3.460 8.154 1.00 0.00 C ATOM 201 CZ2 TRP A 13 22.113 2.410 8.708 1.00 0.00 C ATOM 202 CZ3 TRP A 13 19.782 2.071 8.107 1.00 0.00 C ATOM 203 CH2 TRP A 13 21.054 1.546 8.390 1.00 0.00 C ATOM 0 H TRP A 13 20.232 8.188 10.511 1.00 0.00 H new ATOM 0 HA TRP A 13 17.770 7.545 9.114 1.00 0.00 H new ATOM 0 HB2 TRP A 13 19.031 6.542 7.551 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.118 7.781 8.146 1.00 0.00 H new ATOM 0 HD1 TRP A 13 22.409 7.047 9.062 1.00 0.00 H new ATOM 0 HE1 TRP A 13 23.676 4.811 9.262 1.00 0.00 H new ATOM 0 HE3 TRP A 13 18.571 3.846 7.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 23.096 2.015 8.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 18.972 1.404 7.852 1.00 0.00 H new ATOM 0 HH2 TRP A 13 21.217 0.479 8.363 1.00 0.00 H new ATOM 214 N LEU A 14 18.789 5.582 11.509 1.00 0.00 N ATOM 215 CA LEU A 14 18.414 4.473 12.400 1.00 0.00 C ATOM 216 C LEU A 14 17.266 4.837 13.371 1.00 0.00 C ATOM 217 O LEU A 14 16.667 3.925 13.937 1.00 0.00 O ATOM 218 CB LEU A 14 19.629 4.010 13.230 1.00 0.00 C ATOM 219 CG LEU A 14 20.713 3.193 12.501 1.00 0.00 C ATOM 220 CD1 LEU A 14 21.860 2.945 13.481 1.00 0.00 C ATOM 221 CD2 LEU A 14 20.235 1.810 12.053 1.00 0.00 C ATOM 0 H LEU A 14 19.555 6.143 11.882 1.00 0.00 H new ATOM 0 HA LEU A 14 18.065 3.672 11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.103 4.894 13.656 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.260 3.413 14.064 1.00 0.00 H new ATOM 0 HG LEU A 14 20.998 3.768 11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.642 2.367 12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.269 3.900 13.812 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.489 2.391 14.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.049 1.290 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.922 1.234 12.924 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.394 1.920 11.369 1.00 0.00 H new ATOM 233 N THR A 15 16.948 6.115 13.619 1.00 0.00 N ATOM 234 CA THR A 15 15.881 6.473 14.582 1.00 0.00 C ATOM 235 C THR A 15 14.453 6.354 14.028 1.00 0.00 C ATOM 236 O THR A 15 14.194 6.601 12.849 1.00 0.00 O ATOM 237 CB THR A 15 16.001 7.915 15.115 1.00 0.00 C ATOM 238 OG1 THR A 15 16.345 8.846 14.117 1.00 0.00 O ATOM 239 CG2 THR A 15 17.026 8.045 16.235 1.00 0.00 C ATOM 0 H THR A 15 17.403 6.913 13.176 1.00 0.00 H new ATOM 0 HA THR A 15 16.037 5.740 15.373 1.00 0.00 H new ATOM 0 HB THR A 15 15.004 8.139 15.495 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.405 9.741 14.511 1.00 0.00 H new ATOM 0 HG21 THR A 15 17.068 9.081 16.571 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.738 7.404 17.068 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.007 7.743 15.868 1.00 0.00 H new ATOM 247 N LEU A 16 13.507 6.048 14.928 1.00 0.00 N ATOM 248 CA LEU A 16 12.054 5.985 14.699 1.00 0.00 C ATOM 249 C LEU A 16 11.342 6.763 15.816 1.00 0.00 C ATOM 250 O LEU A 16 11.761 6.721 16.974 1.00 0.00 O ATOM 251 CB LEU A 16 11.573 4.522 14.642 1.00 0.00 C ATOM 252 CG LEU A 16 11.984 3.761 13.368 1.00 0.00 C ATOM 253 CD1 LEU A 16 11.589 2.288 13.483 1.00 0.00 C ATOM 254 CD2 LEU A 16 11.315 4.314 12.104 1.00 0.00 C ATOM 0 H LEU A 16 13.749 5.824 15.893 1.00 0.00 H new ATOM 0 HA LEU A 16 11.814 6.440 13.738 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.965 3.990 15.509 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.486 4.507 14.723 1.00 0.00 H new ATOM 0 HG LEU A 16 13.064 3.883 13.280 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.885 1.760 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.091 1.843 14.342 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.510 2.210 13.613 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.642 3.739 11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.232 4.238 12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.595 5.359 11.972 1.00 0.00 H new ATOM 266 N GLU A 17 10.286 7.499 15.468 1.00 0.00 N ATOM 267 CA GLU A 17 9.520 8.331 16.408 1.00 0.00 C ATOM 268 C GLU A 17 8.612 7.520 17.346 1.00 0.00 C ATOM 269 O GLU A 17 8.054 6.484 16.971 1.00 0.00 O ATOM 270 CB GLU A 17 8.668 9.351 15.637 1.00 0.00 C ATOM 271 CG GLU A 17 9.514 10.407 14.915 1.00 0.00 C ATOM 272 CD GLU A 17 8.621 11.414 14.181 1.00 0.00 C ATOM 273 OE1 GLU A 17 8.206 11.107 13.037 1.00 0.00 O ATOM 274 OE2 GLU A 17 8.352 12.494 14.757 1.00 0.00 O ATOM 0 H GLU A 17 9.930 7.537 14.513 1.00 0.00 H new ATOM 0 HA GLU A 17 10.256 8.837 17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.051 8.825 14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.989 9.848 16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.143 10.930 15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.181 9.920 14.204 1.00 0.00 H new ATOM 281 N VAL A 18 8.431 8.033 18.564 1.00 0.00 N ATOM 282 CA VAL A 18 7.565 7.478 19.615 1.00 0.00 C ATOM 283 C VAL A 18 6.151 8.061 19.482 1.00 0.00 C ATOM 284 O VAL A 18 5.988 9.252 19.198 1.00 0.00 O ATOM 285 CB VAL A 18 8.159 7.784 21.006 1.00 0.00 C ATOM 286 CG1 VAL A 18 7.278 7.282 22.158 1.00 0.00 C ATOM 287 CG2 VAL A 18 9.532 7.116 21.153 1.00 0.00 C ATOM 0 H VAL A 18 8.904 8.886 18.862 1.00 0.00 H new ATOM 0 HA VAL A 18 7.505 6.396 19.502 1.00 0.00 H new ATOM 0 HB VAL A 18 8.231 8.870 21.068 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.749 7.527 23.110 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.300 7.760 22.103 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.158 6.201 22.080 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.941 7.339 22.138 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.426 6.037 21.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.206 7.497 20.386 1.00 0.00 H new ATOM 297 N CYS A 19 5.126 7.229 19.685 1.00 0.00 N ATOM 298 CA CYS A 19 3.716 7.617 19.583 1.00 0.00 C ATOM 299 C CYS A 19 3.343 8.751 20.562 1.00 0.00 C ATOM 300 O CYS A 19 3.692 8.725 21.749 1.00 0.00 O ATOM 301 CB CYS A 19 2.876 6.350 19.785 1.00 0.00 C ATOM 302 SG CYS A 19 1.111 6.601 19.417 1.00 0.00 S ATOM 0 H CYS A 19 5.255 6.247 19.930 1.00 0.00 H new ATOM 0 HA CYS A 19 3.513 8.037 18.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.265 5.557 19.147 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.982 6.011 20.815 1.00 0.00 H new ATOM 0 HG CYS A 19 0.676 5.618 18.685 1.00 0.00 H new ATOM 307 N ARG A 20 2.642 9.778 20.060 1.00 0.00 N ATOM 308 CA ARG A 20 2.205 10.948 20.846 1.00 0.00 C ATOM 309 C ARG A 20 1.193 10.568 21.931 1.00 0.00 C ATOM 310 O ARG A 20 1.262 11.081 23.047 1.00 0.00 O ATOM 311 CB ARG A 20 1.641 12.014 19.889 1.00 0.00 C ATOM 312 CG ARG A 20 1.324 13.339 20.600 1.00 0.00 C ATOM 313 CD ARG A 20 0.861 14.400 19.597 1.00 0.00 C ATOM 314 NE ARG A 20 0.549 15.674 20.271 1.00 0.00 N ATOM 315 CZ ARG A 20 0.155 16.792 19.681 1.00 0.00 C ATOM 316 NH1 ARG A 20 -0.090 17.859 20.393 1.00 0.00 N ATOM 317 NH2 ARG A 20 -0.008 16.889 18.386 1.00 0.00 N ATOM 0 H ARG A 20 2.357 9.823 19.082 1.00 0.00 H new ATOM 0 HA ARG A 20 3.067 11.359 21.372 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.360 12.197 19.091 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.734 11.632 19.419 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.549 13.178 21.349 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.209 13.694 21.128 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.639 14.562 18.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.021 14.041 19.066 1.00 0.00 H new ATOM 0 HE ARG A 20 0.646 15.696 21.286 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.022 17.833 21.406 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.393 18.719 19.936 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.170 16.082 17.788 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.313 17.771 17.975 1.00 0.00 H new ATOM 331 N GLU A 21 0.279 9.649 21.628 1.00 0.00 N ATOM 332 CA GLU A 21 -0.730 9.165 22.579 1.00 0.00 C ATOM 333 C GLU A 21 -0.124 8.210 23.623 1.00 0.00 C ATOM 334 O GLU A 21 -0.554 8.210 24.777 1.00 0.00 O ATOM 335 CB GLU A 21 -1.898 8.518 21.821 1.00 0.00 C ATOM 336 CG GLU A 21 -2.707 9.553 21.029 1.00 0.00 C ATOM 337 CD GLU A 21 -3.949 8.915 20.392 1.00 0.00 C ATOM 338 OE1 GLU A 21 -4.954 8.722 21.119 1.00 0.00 O ATOM 339 OE2 GLU A 21 -3.914 8.644 19.166 1.00 0.00 O ATOM 0 H GLU A 21 0.214 9.213 20.708 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.114 10.020 23.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.513 7.759 21.140 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.553 8.009 22.528 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.010 10.365 21.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.081 9.991 20.252 1.00 0.00 H new ATOM 346 N PHE A 22 0.918 7.442 23.278 1.00 0.00 N ATOM 347 CA PHE A 22 1.631 6.573 24.226 1.00 0.00 C ATOM 348 C PHE A 22 2.312 7.406 25.325 1.00 0.00 C ATOM 349 O PHE A 22 2.207 7.090 26.512 1.00 0.00 O ATOM 350 CB PHE A 22 2.652 5.735 23.452 1.00 0.00 C ATOM 351 CG PHE A 22 3.476 4.778 24.289 1.00 0.00 C ATOM 352 CD1 PHE A 22 4.834 5.052 24.545 1.00 0.00 C ATOM 353 CD2 PHE A 22 2.894 3.598 24.791 1.00 0.00 C ATOM 354 CE1 PHE A 22 5.603 4.153 25.304 1.00 0.00 C ATOM 355 CE2 PHE A 22 3.663 2.701 25.553 1.00 0.00 C ATOM 356 CZ PHE A 22 5.017 2.977 25.809 1.00 0.00 C ATOM 0 H PHE A 22 1.292 7.405 22.330 1.00 0.00 H new ATOM 0 HA PHE A 22 0.922 5.909 24.720 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.123 5.162 22.690 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.330 6.410 22.930 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.285 5.954 24.158 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.855 3.382 24.590 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.644 4.365 25.500 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.213 1.799 25.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.608 2.287 26.393 1.00 0.00 H new ATOM 366 N GLN A 23 2.937 8.524 24.936 1.00 0.00 N ATOM 367 CA GLN A 23 3.563 9.516 25.826 1.00 0.00 C ATOM 368 C GLN A 23 2.565 10.191 26.795 1.00 0.00 C ATOM 369 O GLN A 23 2.983 10.820 27.772 1.00 0.00 O ATOM 370 CB GLN A 23 4.326 10.552 24.985 1.00 0.00 C ATOM 371 CG GLN A 23 5.589 9.941 24.357 1.00 0.00 C ATOM 372 CD GLN A 23 6.194 10.855 23.294 1.00 0.00 C ATOM 373 OE1 GLN A 23 7.030 11.708 23.561 1.00 0.00 O ATOM 374 NE2 GLN A 23 5.788 10.708 22.053 1.00 0.00 N ATOM 0 H GLN A 23 3.025 8.775 23.951 1.00 0.00 H new ATOM 0 HA GLN A 23 4.265 8.982 26.467 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.676 10.936 24.199 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.603 11.400 25.612 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.327 9.752 25.136 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.343 8.978 23.910 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.091 9.999 21.825 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.169 11.303 21.318 1.00 0.00 H new ATOM 383 N ARG A 24 1.254 10.084 26.530 1.00 0.00 N ATOM 384 CA ARG A 24 0.149 10.644 27.334 1.00 0.00 C ATOM 385 C ARG A 24 -0.758 9.569 27.961 1.00 0.00 C ATOM 386 O ARG A 24 -1.706 9.908 28.670 1.00 0.00 O ATOM 387 CB ARG A 24 -0.650 11.645 26.472 1.00 0.00 C ATOM 388 CG ARG A 24 0.182 12.831 25.950 1.00 0.00 C ATOM 389 CD ARG A 24 0.712 13.732 27.076 1.00 0.00 C ATOM 390 NE ARG A 24 1.588 14.793 26.545 1.00 0.00 N ATOM 391 CZ ARG A 24 2.909 14.761 26.467 1.00 0.00 C ATOM 392 NH1 ARG A 24 3.556 15.779 25.969 1.00 0.00 N ATOM 393 NH2 ARG A 24 3.628 13.745 26.872 1.00 0.00 N ATOM 0 H ARG A 24 0.916 9.581 25.710 1.00 0.00 H new ATOM 0 HA ARG A 24 0.587 11.168 28.184 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.079 11.114 25.622 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.483 12.030 27.060 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.023 12.451 25.370 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.430 13.427 25.272 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.125 14.182 27.610 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.263 13.129 27.798 1.00 0.00 H new ATOM 0 HE ARG A 24 1.129 15.637 26.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.044 16.598 25.641 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.574 15.756 25.908 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.172 12.925 27.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.644 13.774 26.788 1.00 0.00 H new ATOM 407 N GLY A 25 -0.471 8.284 27.729 1.00 0.00 N ATOM 408 CA GLY A 25 -1.226 7.144 28.265 1.00 0.00 C ATOM 409 C GLY A 25 -2.625 6.960 27.659 1.00 0.00 C ATOM 410 O GLY A 25 -3.524 6.478 28.352 1.00 0.00 O ATOM 0 H GLY A 25 0.316 7.999 27.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.650 6.234 28.099 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.325 7.266 29.344 1.00 0.00 H new ATOM 414 N THR A 26 -2.831 7.358 26.398 1.00 0.00 N ATOM 415 CA THR A 26 -4.133 7.308 25.698 1.00 0.00 C ATOM 416 C THR A 26 -4.171 6.406 24.452 1.00 0.00 C ATOM 417 O THR A 26 -5.259 6.170 23.919 1.00 0.00 O ATOM 418 CB THR A 26 -4.617 8.725 25.333 1.00 0.00 C ATOM 419 OG1 THR A 26 -3.624 9.438 24.624 1.00 0.00 O ATOM 420 CG2 THR A 26 -4.963 9.547 26.576 1.00 0.00 C ATOM 0 H THR A 26 -2.082 7.734 25.816 1.00 0.00 H new ATOM 0 HA THR A 26 -4.812 6.848 26.416 1.00 0.00 H new ATOM 0 HB THR A 26 -5.506 8.587 24.717 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.958 10.333 24.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.300 10.539 26.274 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.756 9.048 27.133 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.080 9.640 27.208 1.00 0.00 H new ATOM 428 N CYS A 27 -3.032 5.867 23.997 1.00 0.00 N ATOM 429 CA CYS A 27 -2.967 4.949 22.850 1.00 0.00 C ATOM 430 C CYS A 27 -3.574 3.566 23.197 1.00 0.00 C ATOM 431 O CYS A 27 -3.507 3.123 24.352 1.00 0.00 O ATOM 432 CB CYS A 27 -1.502 4.847 22.385 1.00 0.00 C ATOM 433 SG CYS A 27 -1.378 4.184 20.690 1.00 0.00 S ATOM 0 H CYS A 27 -2.122 6.057 24.417 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.569 5.340 22.030 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.038 5.832 22.425 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.947 4.205 23.069 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.561 4.919 19.995 1.00 0.00 H new ATOM 438 N SER A 28 -4.141 2.876 22.198 1.00 0.00 N ATOM 439 CA SER A 28 -4.775 1.551 22.347 1.00 0.00 C ATOM 440 C SER A 28 -4.461 0.607 21.170 1.00 0.00 C ATOM 441 O SER A 28 -5.360 0.098 20.493 1.00 0.00 O ATOM 442 CB SER A 28 -6.299 1.703 22.529 1.00 0.00 C ATOM 443 OG SER A 28 -6.627 2.435 23.702 1.00 0.00 O ATOM 0 H SER A 28 -4.174 3.228 21.241 1.00 0.00 H new ATOM 0 HA SER A 28 -4.350 1.092 23.240 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.719 2.207 21.659 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.758 0.716 22.578 1.00 0.00 H new ATOM 0 HG SER A 28 -7.601 2.510 23.779 1.00 0.00 H new ATOM 449 N ARG A 29 -3.167 0.330 20.960 1.00 0.00 N ATOM 450 CA ARG A 29 -2.614 -0.607 19.958 1.00 0.00 C ATOM 451 C ARG A 29 -1.236 -1.123 20.403 1.00 0.00 C ATOM 452 O ARG A 29 -0.491 -0.374 21.045 1.00 0.00 O ATOM 453 CB ARG A 29 -2.407 0.083 18.590 1.00 0.00 C ATOM 454 CG ARG A 29 -3.683 0.270 17.760 1.00 0.00 C ATOM 455 CD ARG A 29 -3.320 0.663 16.322 1.00 0.00 C ATOM 456 NE ARG A 29 -4.525 0.840 15.493 1.00 0.00 N ATOM 457 CZ ARG A 29 -4.579 0.824 14.170 1.00 0.00 C ATOM 458 NH1 ARG A 29 -5.721 1.017 13.565 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.537 0.618 13.407 1.00 0.00 N ATOM 0 H ARG A 29 -2.434 0.775 21.512 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.333 -1.422 19.868 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.954 1.060 18.757 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.695 -0.503 18.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.264 -0.652 17.758 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.309 1.041 18.209 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.743 1.588 16.330 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.684 -0.105 15.883 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.405 0.990 15.987 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.567 1.179 14.112 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.767 1.005 12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.621 0.458 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.640 0.617 12.392 1.00 0.00 H new ATOM 473 N PRO A 30 -0.849 -2.360 20.039 1.00 0.00 N ATOM 474 CA PRO A 30 0.497 -2.861 20.300 1.00 0.00 C ATOM 475 C PRO A 30 1.494 -2.172 19.350 1.00 0.00 C ATOM 476 O PRO A 30 1.116 -1.683 18.282 1.00 0.00 O ATOM 477 CB PRO A 30 0.415 -4.368 20.030 1.00 0.00 C ATOM 478 CG PRO A 30 -0.649 -4.468 18.936 1.00 0.00 C ATOM 479 CD PRO A 30 -1.625 -3.346 19.293 1.00 0.00 C ATOM 0 HA PRO A 30 0.840 -2.660 21.315 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.372 -4.771 19.699 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.128 -4.922 20.923 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.220 -4.328 17.944 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.138 -5.442 18.938 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.057 -2.904 18.395 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.453 -3.725 19.892 1.00 0.00 H new ATOM 487 N ASP A 31 2.784 -2.178 19.701 1.00 0.00 N ATOM 488 CA ASP A 31 3.869 -1.623 18.867 1.00 0.00 C ATOM 489 C ASP A 31 3.828 -2.161 17.418 1.00 0.00 C ATOM 490 O ASP A 31 4.144 -1.451 16.464 1.00 0.00 O ATOM 491 CB ASP A 31 5.207 -1.968 19.536 1.00 0.00 C ATOM 492 CG ASP A 31 6.409 -1.356 18.812 1.00 0.00 C ATOM 493 OD1 ASP A 31 7.007 -2.063 17.969 1.00 0.00 O ATOM 494 OD2 ASP A 31 6.743 -0.190 19.124 1.00 0.00 O ATOM 0 H ASP A 31 3.114 -2.572 20.582 1.00 0.00 H new ATOM 0 HA ASP A 31 3.743 -0.543 18.795 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.193 -1.617 20.568 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.322 -3.051 19.570 1.00 0.00 H new ATOM 499 N THR A 32 3.404 -3.419 17.267 1.00 0.00 N ATOM 500 CA THR A 32 3.241 -4.165 16.013 1.00 0.00 C ATOM 501 C THR A 32 2.203 -3.579 15.047 1.00 0.00 C ATOM 502 O THR A 32 2.310 -3.797 13.841 1.00 0.00 O ATOM 503 CB THR A 32 2.808 -5.609 16.339 1.00 0.00 C ATOM 504 OG1 THR A 32 3.503 -6.102 17.469 1.00 0.00 O ATOM 505 CG2 THR A 32 3.064 -6.599 15.201 1.00 0.00 C ATOM 0 H THR A 32 3.147 -3.985 18.076 1.00 0.00 H new ATOM 0 HA THR A 32 4.209 -4.112 15.514 1.00 0.00 H new ATOM 0 HB THR A 32 1.735 -5.541 16.518 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.211 -7.018 17.658 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.735 -7.593 15.503 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.511 -6.286 14.315 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.130 -6.624 14.973 1.00 0.00 H new ATOM 513 N GLU A 33 1.198 -2.845 15.541 1.00 0.00 N ATOM 514 CA GLU A 33 0.095 -2.302 14.724 1.00 0.00 C ATOM 515 C GLU A 33 -0.030 -0.770 14.743 1.00 0.00 C ATOM 516 O GLU A 33 -0.715 -0.214 13.879 1.00 0.00 O ATOM 517 CB GLU A 33 -1.236 -2.936 15.162 1.00 0.00 C ATOM 518 CG GLU A 33 -1.279 -4.456 14.953 1.00 0.00 C ATOM 519 CD GLU A 33 -2.662 -5.019 15.307 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.467 -5.242 14.370 1.00 0.00 O ATOM 521 OE2 GLU A 33 -2.920 -5.224 16.517 1.00 0.00 O ATOM 0 H GLU A 33 1.123 -2.606 16.530 1.00 0.00 H new ATOM 0 HA GLU A 33 0.337 -2.564 13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.407 -2.716 16.216 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.051 -2.476 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.041 -4.691 13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.519 -4.934 15.571 1.00 0.00 H new ATOM 528 N CYS A 34 0.609 -0.077 15.691 1.00 0.00 N ATOM 529 CA CYS A 34 0.572 1.389 15.748 1.00 0.00 C ATOM 530 C CYS A 34 1.478 2.028 14.664 1.00 0.00 C ATOM 531 O CYS A 34 2.407 1.401 14.141 1.00 0.00 O ATOM 532 CB CYS A 34 0.918 1.856 17.172 1.00 0.00 C ATOM 533 SG CYS A 34 0.306 3.554 17.470 1.00 0.00 S ATOM 0 H CYS A 34 1.160 -0.509 16.432 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.437 1.732 15.521 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.478 1.174 17.900 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.998 1.824 17.317 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.334 3.592 18.601 1.00 0.00 H new ATOM 538 N LYS A 35 1.208 3.295 14.325 1.00 0.00 N ATOM 539 CA LYS A 35 1.945 4.091 13.323 1.00 0.00 C ATOM 540 C LYS A 35 3.342 4.532 13.799 1.00 0.00 C ATOM 541 O LYS A 35 4.179 4.922 12.984 1.00 0.00 O ATOM 542 CB LYS A 35 1.068 5.300 12.936 1.00 0.00 C ATOM 543 CG LYS A 35 1.561 6.038 11.677 1.00 0.00 C ATOM 544 CD LYS A 35 0.562 7.088 11.170 1.00 0.00 C ATOM 545 CE LYS A 35 0.389 8.241 12.164 1.00 0.00 C ATOM 546 NZ LYS A 35 -0.536 9.266 11.636 1.00 0.00 N ATOM 0 H LYS A 35 0.444 3.817 14.754 1.00 0.00 H new ATOM 0 HA LYS A 35 2.135 3.464 12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.046 4.959 12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.040 6.001 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.512 6.524 11.896 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.749 5.312 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.904 7.482 10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.403 6.614 10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.008 7.856 13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.358 8.694 12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.635 10.035 12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.158 9.649 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.467 8.836 11.461 1.00 0.00 H new ATOM 560 N PHE A 36 3.598 4.459 15.105 1.00 0.00 N ATOM 561 CA PHE A 36 4.837 4.874 15.773 1.00 0.00 C ATOM 562 C PHE A 36 5.308 3.835 16.816 1.00 0.00 C ATOM 563 O PHE A 36 4.693 2.779 16.985 1.00 0.00 O ATOM 564 CB PHE A 36 4.603 6.257 16.398 1.00 0.00 C ATOM 565 CG PHE A 36 4.317 7.381 15.417 1.00 0.00 C ATOM 566 CD1 PHE A 36 5.304 7.782 14.496 1.00 0.00 C ATOM 567 CD2 PHE A 36 3.077 8.049 15.444 1.00 0.00 C ATOM 568 CE1 PHE A 36 5.052 8.840 13.605 1.00 0.00 C ATOM 569 CE2 PHE A 36 2.827 9.112 14.557 1.00 0.00 C ATOM 570 CZ PHE A 36 3.814 9.506 13.636 1.00 0.00 C ATOM 0 H PHE A 36 2.912 4.089 15.763 1.00 0.00 H new ATOM 0 HA PHE A 36 5.644 4.937 15.043 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.767 6.185 17.094 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.483 6.525 16.983 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.257 7.275 14.474 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.316 7.744 16.147 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.809 9.141 12.897 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.877 9.625 14.583 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.621 10.320 12.953 1.00 0.00 H new ATOM 580 N ALA A 37 6.429 4.108 17.490 1.00 0.00 N ATOM 581 CA ALA A 37 7.053 3.189 18.442 1.00 0.00 C ATOM 582 C ALA A 37 6.544 3.363 19.892 1.00 0.00 C ATOM 583 O ALA A 37 6.243 4.474 20.334 1.00 0.00 O ATOM 584 CB ALA A 37 8.567 3.438 18.375 1.00 0.00 C ATOM 0 H ALA A 37 6.935 4.988 17.387 1.00 0.00 H new ATOM 0 HA ALA A 37 6.792 2.167 18.167 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.076 2.772 19.071 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.923 3.246 17.363 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.778 4.473 18.643 1.00 0.00 H new ATOM 590 N HIS A 38 6.480 2.250 20.634 1.00 0.00 N ATOM 591 CA HIS A 38 6.069 2.144 22.045 1.00 0.00 C ATOM 592 C HIS A 38 7.211 1.554 22.918 1.00 0.00 C ATOM 593 O HIS A 38 7.126 0.398 23.348 1.00 0.00 O ATOM 594 CB HIS A 38 4.763 1.329 22.156 1.00 0.00 C ATOM 595 CG HIS A 38 3.559 1.893 21.437 1.00 0.00 C ATOM 596 ND1 HIS A 38 2.458 1.179 21.017 1.00 0.00 N ATOM 597 CD2 HIS A 38 3.319 3.205 21.124 1.00 0.00 C ATOM 598 CE1 HIS A 38 1.588 2.040 20.456 1.00 0.00 C ATOM 599 NE2 HIS A 38 2.070 3.291 20.492 1.00 0.00 N ATOM 0 H HIS A 38 6.729 1.341 20.243 1.00 0.00 H new ATOM 0 HA HIS A 38 5.869 3.143 22.432 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.952 0.326 21.773 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.513 1.225 23.212 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.980 4.034 21.329 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.633 1.761 20.035 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.620 4.133 20.133 1.00 0.00 H new ATOM 607 N PRO A 39 8.313 2.296 23.158 1.00 0.00 N ATOM 608 CA PRO A 39 9.471 1.826 23.928 1.00 0.00 C ATOM 609 C PRO A 39 9.221 1.697 25.440 1.00 0.00 C ATOM 610 O PRO A 39 8.276 2.259 25.994 1.00 0.00 O ATOM 611 CB PRO A 39 10.575 2.846 23.660 1.00 0.00 C ATOM 612 CG PRO A 39 9.793 4.139 23.444 1.00 0.00 C ATOM 613 CD PRO A 39 8.545 3.661 22.706 1.00 0.00 C ATOM 0 HA PRO A 39 9.726 0.815 23.611 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.265 2.926 24.500 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.168 2.580 22.785 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.544 4.623 24.388 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.359 4.861 22.855 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.690 4.298 22.932 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.692 3.695 21.627 1.00 0.00 H new ATOM 621 N SER A 40 10.131 0.992 26.117 1.00 0.00 N ATOM 622 CA SER A 40 10.150 0.810 27.574 1.00 0.00 C ATOM 623 C SER A 40 11.160 1.771 28.219 1.00 0.00 C ATOM 624 O SER A 40 12.022 2.342 27.544 1.00 0.00 O ATOM 625 CB SER A 40 10.512 -0.643 27.918 1.00 0.00 C ATOM 626 OG SER A 40 9.508 -1.534 27.459 1.00 0.00 O ATOM 0 H SER A 40 10.903 0.515 25.651 1.00 0.00 H new ATOM 0 HA SER A 40 9.158 1.031 27.967 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.469 -0.901 27.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.632 -0.747 28.996 1.00 0.00 H new ATOM 0 HG SER A 40 9.758 -2.454 27.686 1.00 0.00 H new ATOM 632 N LYS A 41 11.080 1.942 29.542 1.00 0.00 N ATOM 633 CA LYS A 41 11.949 2.839 30.340 1.00 0.00 C ATOM 634 C LYS A 41 13.458 2.574 30.186 1.00 0.00 C ATOM 635 O LYS A 41 14.266 3.492 30.330 1.00 0.00 O ATOM 636 CB LYS A 41 11.494 2.764 31.813 1.00 0.00 C ATOM 637 CG LYS A 41 12.168 3.760 32.778 1.00 0.00 C ATOM 638 CD LYS A 41 12.024 5.245 32.402 1.00 0.00 C ATOM 639 CE LYS A 41 10.559 5.685 32.312 1.00 0.00 C ATOM 640 NZ LYS A 41 10.453 7.124 31.992 1.00 0.00 N ATOM 0 H LYS A 41 10.392 1.450 30.112 1.00 0.00 H new ATOM 0 HA LYS A 41 11.828 3.851 29.953 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.417 2.926 31.849 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.677 1.754 32.179 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.751 3.613 33.774 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.229 3.519 32.838 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.539 5.856 33.143 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.514 5.424 31.445 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.047 5.101 31.547 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.057 5.482 33.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.450 7.395 31.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.922 7.680 32.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.912 7.311 31.078 1.00 0.00 H new ATOM 654 N SER A 42 13.830 1.334 29.866 1.00 0.00 N ATOM 655 CA SER A 42 15.224 0.899 29.656 1.00 0.00 C ATOM 656 C SER A 42 15.752 1.127 28.226 1.00 0.00 C ATOM 657 O SER A 42 16.948 0.945 27.988 1.00 0.00 O ATOM 658 CB SER A 42 15.369 -0.587 30.006 1.00 0.00 C ATOM 659 OG SER A 42 15.025 -0.819 31.365 1.00 0.00 O ATOM 0 H SER A 42 13.156 0.579 29.741 1.00 0.00 H new ATOM 0 HA SER A 42 15.826 1.523 30.317 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.728 -1.183 29.357 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.394 -0.910 29.825 1.00 0.00 H new ATOM 0 HG SER A 42 15.122 -1.773 31.569 1.00 0.00 H new ATOM 665 N CYS A 43 14.903 1.513 27.265 1.00 0.00 N ATOM 666 CA CYS A 43 15.310 1.753 25.876 1.00 0.00 C ATOM 667 C CYS A 43 16.014 3.114 25.692 1.00 0.00 C ATOM 668 O CYS A 43 15.898 4.018 26.522 1.00 0.00 O ATOM 669 CB CYS A 43 14.067 1.672 24.973 1.00 0.00 C ATOM 670 SG CYS A 43 13.285 0.033 25.075 1.00 0.00 S ATOM 0 H CYS A 43 13.909 1.668 27.431 1.00 0.00 H new ATOM 0 HA CYS A 43 16.034 0.987 25.599 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.350 2.439 25.267 1.00 0.00 H new ATOM 0 HB3 CYS A 43 14.350 1.879 23.941 1.00 0.00 H new ATOM 0 HG CYS A 43 12.240 0.002 24.303 1.00 0.00 H new ATOM 676 N GLN A 44 16.713 3.281 24.564 1.00 0.00 N ATOM 677 CA GLN A 44 17.424 4.501 24.133 1.00 0.00 C ATOM 678 C GLN A 44 16.479 5.640 23.676 1.00 0.00 C ATOM 679 O GLN A 44 16.685 6.264 22.632 1.00 0.00 O ATOM 680 CB GLN A 44 18.440 4.101 23.044 1.00 0.00 C ATOM 681 CG GLN A 44 19.643 3.352 23.633 1.00 0.00 C ATOM 682 CD GLN A 44 20.712 4.311 24.146 1.00 0.00 C ATOM 683 OE1 GLN A 44 21.534 4.806 23.392 1.00 0.00 O ATOM 684 NE2 GLN A 44 20.758 4.605 25.429 1.00 0.00 N ATOM 0 H GLN A 44 16.806 2.527 23.884 1.00 0.00 H new ATOM 0 HA GLN A 44 17.947 4.925 24.990 1.00 0.00 H new ATOM 0 HB2 GLN A 44 17.948 3.472 22.302 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.787 4.995 22.525 1.00 0.00 H new ATOM 0 HG2 GLN A 44 19.308 2.711 24.449 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.074 2.701 22.872 1.00 0.00 H new ATOM 0 HE21 GLN A 44 20.077 4.198 26.070 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.475 5.240 25.781 1.00 0.00 H new ATOM 693 N VAL A 45 15.415 5.903 24.440 1.00 0.00 N ATOM 694 CA VAL A 45 14.419 6.952 24.163 1.00 0.00 C ATOM 695 C VAL A 45 15.042 8.338 24.384 1.00 0.00 C ATOM 696 O VAL A 45 15.518 8.642 25.479 1.00 0.00 O ATOM 697 CB VAL A 45 13.156 6.793 25.036 1.00 0.00 C ATOM 698 CG1 VAL A 45 12.023 7.660 24.472 1.00 0.00 C ATOM 699 CG2 VAL A 45 12.662 5.340 25.086 1.00 0.00 C ATOM 0 H VAL A 45 15.214 5.380 25.292 1.00 0.00 H new ATOM 0 HA VAL A 45 14.113 6.851 23.122 1.00 0.00 H new ATOM 0 HB VAL A 45 13.427 7.104 26.045 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.134 7.544 25.091 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.331 8.706 24.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.798 7.347 23.452 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.772 5.280 25.712 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.420 5.003 24.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.443 4.704 25.503 1.00 0.00 H new ATOM 709 N GLU A 46 15.053 9.179 23.351 1.00 0.00 N ATOM 710 CA GLU A 46 15.636 10.529 23.380 1.00 0.00 C ATOM 711 C GLU A 46 14.933 11.455 22.370 1.00 0.00 C ATOM 712 O GLU A 46 14.700 11.069 21.225 1.00 0.00 O ATOM 713 CB GLU A 46 17.140 10.407 23.067 1.00 0.00 C ATOM 714 CG GLU A 46 17.917 11.702 23.330 1.00 0.00 C ATOM 715 CD GLU A 46 19.424 11.483 23.132 1.00 0.00 C ATOM 716 OE1 GLU A 46 20.030 10.769 23.969 1.00 0.00 O ATOM 717 OE2 GLU A 46 19.975 12.025 22.144 1.00 0.00 O ATOM 0 H GLU A 46 14.648 8.939 22.446 1.00 0.00 H new ATOM 0 HA GLU A 46 15.498 10.973 24.366 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.567 9.606 23.670 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.265 10.121 22.023 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.567 12.485 22.657 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.725 12.047 24.346 1.00 0.00 H new ATOM 724 N ASN A 47 14.595 12.685 22.785 1.00 0.00 N ATOM 725 CA ASN A 47 13.918 13.711 21.970 1.00 0.00 C ATOM 726 C ASN A 47 12.690 13.201 21.164 1.00 0.00 C ATOM 727 O ASN A 47 12.453 13.616 20.028 1.00 0.00 O ATOM 728 CB ASN A 47 14.987 14.429 21.117 1.00 0.00 C ATOM 729 CG ASN A 47 14.490 15.726 20.489 1.00 0.00 C ATOM 730 OD1 ASN A 47 13.717 16.479 21.067 1.00 0.00 O ATOM 731 ND2 ASN A 47 14.931 16.044 19.291 1.00 0.00 N ATOM 0 H ASN A 47 14.792 13.007 23.733 1.00 0.00 H new ATOM 0 HA ASN A 47 13.451 14.433 22.640 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.854 14.645 21.741 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.322 13.757 20.327 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.629 16.913 18.850 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.575 15.422 18.803 1.00 0.00 H new ATOM 738 N GLY A 48 11.914 12.271 21.736 1.00 0.00 N ATOM 739 CA GLY A 48 10.725 11.677 21.101 1.00 0.00 C ATOM 740 C GLY A 48 11.018 10.590 20.055 1.00 0.00 C ATOM 741 O GLY A 48 10.125 10.229 19.288 1.00 0.00 O ATOM 0 H GLY A 48 12.096 11.902 22.669 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.092 11.249 21.879 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.151 12.472 20.625 1.00 0.00 H new ATOM 745 N ARG A 49 12.252 10.071 19.998 1.00 0.00 N ATOM 746 CA ARG A 49 12.729 9.028 19.071 1.00 0.00 C ATOM 747 C ARG A 49 13.465 7.912 19.824 1.00 0.00 C ATOM 748 O ARG A 49 13.850 8.077 20.980 1.00 0.00 O ATOM 749 CB ARG A 49 13.698 9.638 18.028 1.00 0.00 C ATOM 750 CG ARG A 49 13.083 10.492 16.907 1.00 0.00 C ATOM 751 CD ARG A 49 12.729 11.921 17.333 1.00 0.00 C ATOM 752 NE ARG A 49 12.378 12.756 16.173 1.00 0.00 N ATOM 753 CZ ARG A 49 11.963 14.012 16.226 1.00 0.00 C ATOM 754 NH1 ARG A 49 11.829 14.669 17.348 1.00 0.00 N ATOM 755 NH2 ARG A 49 11.673 14.652 15.125 1.00 0.00 N ATOM 0 H ARG A 49 12.988 10.383 20.632 1.00 0.00 H new ATOM 0 HA ARG A 49 11.855 8.610 18.572 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.423 10.253 18.561 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.252 8.822 17.565 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.783 10.536 16.072 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.182 9.999 16.542 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.893 11.897 18.032 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.573 12.365 17.860 1.00 0.00 H new ATOM 0 HE ARG A 49 12.462 12.331 15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.048 14.214 18.234 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.505 15.636 17.337 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.766 14.184 14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.353 15.620 15.167 1.00 0.00 H new ATOM 769 N VAL A 50 13.715 6.796 19.141 1.00 0.00 N ATOM 770 CA VAL A 50 14.528 5.666 19.626 1.00 0.00 C ATOM 771 C VAL A 50 15.383 5.180 18.464 1.00 0.00 C ATOM 772 O VAL A 50 14.873 5.027 17.353 1.00 0.00 O ATOM 773 CB VAL A 50 13.707 4.447 20.101 1.00 0.00 C ATOM 774 CG1 VAL A 50 14.562 3.563 21.024 1.00 0.00 C ATOM 775 CG2 VAL A 50 12.418 4.782 20.833 1.00 0.00 C ATOM 0 H VAL A 50 13.348 6.642 18.202 1.00 0.00 H new ATOM 0 HA VAL A 50 15.095 6.038 20.479 1.00 0.00 H new ATOM 0 HB VAL A 50 13.423 3.932 19.183 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.974 2.706 21.354 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.441 3.214 20.482 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.878 4.142 21.892 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.915 3.860 21.125 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.647 5.368 21.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.766 5.359 20.177 1.00 0.00 H new ATOM 785 N ILE A 51 16.662 4.907 18.706 1.00 0.00 N ATOM 786 CA ILE A 51 17.561 4.336 17.696 1.00 0.00 C ATOM 787 C ILE A 51 17.192 2.846 17.546 1.00 0.00 C ATOM 788 O ILE A 51 17.065 2.139 18.550 1.00 0.00 O ATOM 789 CB ILE A 51 19.038 4.539 18.112 1.00 0.00 C ATOM 790 CG1 ILE A 51 19.365 6.034 18.344 1.00 0.00 C ATOM 791 CG2 ILE A 51 19.976 3.969 17.035 1.00 0.00 C ATOM 792 CD1 ILE A 51 20.757 6.290 18.932 1.00 0.00 C ATOM 0 H ILE A 51 17.109 5.074 19.607 1.00 0.00 H new ATOM 0 HA ILE A 51 17.446 4.835 16.734 1.00 0.00 H new ATOM 0 HB ILE A 51 19.190 4.007 19.051 1.00 0.00 H new ATOM 0 HG12 ILE A 51 19.281 6.564 17.395 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.617 6.458 19.014 1.00 0.00 H new ATOM 0 HG21 ILE A 51 21.012 4.118 17.339 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.783 2.903 16.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.798 4.481 16.090 1.00 0.00 H new ATOM 0 HD11 ILE A 51 20.905 7.362 19.063 1.00 0.00 H new ATOM 0 HD12 ILE A 51 20.841 5.791 19.898 1.00 0.00 H new ATOM 0 HD13 ILE A 51 21.516 5.899 18.254 1.00 0.00 H new ATOM 804 N ALA A 52 16.985 2.367 16.319 1.00 0.00 N ATOM 805 CA ALA A 52 16.642 0.972 16.044 1.00 0.00 C ATOM 806 C ALA A 52 17.874 0.044 16.103 1.00 0.00 C ATOM 807 O ALA A 52 19.001 0.460 15.815 1.00 0.00 O ATOM 808 CB ALA A 52 15.959 0.882 14.673 1.00 0.00 C ATOM 0 H ALA A 52 17.052 2.943 15.480 1.00 0.00 H new ATOM 0 HA ALA A 52 15.958 0.630 16.821 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.701 -0.156 14.462 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.053 1.488 14.678 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.638 1.250 13.904 1.00 0.00 H new ATOM 814 N CYS A 53 17.644 -1.222 16.456 1.00 0.00 N ATOM 815 CA CYS A 53 18.659 -2.271 16.532 1.00 0.00 C ATOM 816 C CYS A 53 19.017 -2.739 15.105 1.00 0.00 C ATOM 817 O CYS A 53 18.220 -3.417 14.449 1.00 0.00 O ATOM 818 CB CYS A 53 18.084 -3.392 17.419 1.00 0.00 C ATOM 819 SG CYS A 53 19.282 -4.708 17.824 1.00 0.00 S ATOM 0 H CYS A 53 16.713 -1.555 16.705 1.00 0.00 H new ATOM 0 HA CYS A 53 19.590 -1.922 16.978 1.00 0.00 H new ATOM 0 HB2 CYS A 53 17.714 -2.954 18.346 1.00 0.00 H new ATOM 0 HB3 CYS A 53 17.227 -3.838 16.913 1.00 0.00 H new ATOM 0 HG CYS A 53 19.294 -4.904 19.109 1.00 0.00 H new ATOM 824 N PHE A 54 20.191 -2.365 14.588 1.00 0.00 N ATOM 825 CA PHE A 54 20.655 -2.748 13.245 1.00 0.00 C ATOM 826 C PHE A 54 20.682 -4.278 13.072 1.00 0.00 C ATOM 827 O PHE A 54 20.310 -4.793 12.015 1.00 0.00 O ATOM 828 CB PHE A 54 22.036 -2.138 12.978 1.00 0.00 C ATOM 829 CG PHE A 54 22.633 -2.409 11.605 1.00 0.00 C ATOM 830 CD1 PHE A 54 23.395 -3.574 11.387 1.00 0.00 C ATOM 831 CD2 PHE A 54 22.486 -1.477 10.560 1.00 0.00 C ATOM 832 CE1 PHE A 54 24.028 -3.790 10.150 1.00 0.00 C ATOM 833 CE2 PHE A 54 23.105 -1.702 9.315 1.00 0.00 C ATOM 834 CZ PHE A 54 23.881 -2.856 9.112 1.00 0.00 C ATOM 0 H PHE A 54 20.856 -1.781 15.094 1.00 0.00 H new ATOM 0 HA PHE A 54 19.950 -2.356 12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 54 21.967 -1.059 13.115 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.728 -2.512 13.733 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.494 -4.306 12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.896 -0.586 10.714 1.00 0.00 H new ATOM 0 HE1 PHE A 54 24.628 -4.675 9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 54 22.983 -0.987 8.515 1.00 0.00 H new ATOM 0 HZ PHE A 54 24.363 -3.024 8.160 1.00 0.00 H new ATOM 844 N ASP A 55 21.055 -5.025 14.116 1.00 0.00 N ATOM 845 CA ASP A 55 21.020 -6.491 14.099 1.00 0.00 C ATOM 846 C ASP A 55 19.569 -7.021 13.981 1.00 0.00 C ATOM 847 O ASP A 55 19.330 -8.012 13.282 1.00 0.00 O ATOM 848 CB ASP A 55 21.764 -7.049 15.319 1.00 0.00 C ATOM 849 CG ASP A 55 23.277 -6.808 15.255 1.00 0.00 C ATOM 850 OD1 ASP A 55 23.880 -7.175 14.215 1.00 0.00 O ATOM 851 OD2 ASP A 55 23.837 -6.299 16.255 1.00 0.00 O ATOM 0 H ASP A 55 21.389 -4.631 14.996 1.00 0.00 H new ATOM 0 HA ASP A 55 21.540 -6.848 13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 55 21.366 -6.589 16.223 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.574 -8.120 15.396 1.00 0.00 H new ATOM 856 N SER A 56 18.576 -6.330 14.560 1.00 0.00 N ATOM 857 CA SER A 56 17.149 -6.649 14.385 1.00 0.00 C ATOM 858 C SER A 56 16.690 -6.318 12.955 1.00 0.00 C ATOM 859 O SER A 56 15.968 -7.113 12.352 1.00 0.00 O ATOM 860 CB SER A 56 16.281 -5.894 15.398 1.00 0.00 C ATOM 861 OG SER A 56 14.919 -6.282 15.300 1.00 0.00 O ATOM 0 H SER A 56 18.741 -5.528 15.168 1.00 0.00 H new ATOM 0 HA SER A 56 17.028 -7.718 14.559 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.645 -6.087 16.407 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.369 -4.821 15.227 1.00 0.00 H new ATOM 0 HG SER A 56 14.389 -5.786 15.959 1.00 0.00 H new ATOM 867 N LEU A 57 17.152 -5.205 12.360 1.00 0.00 N ATOM 868 CA LEU A 57 16.855 -4.857 10.956 1.00 0.00 C ATOM 869 C LEU A 57 17.379 -5.943 9.992 1.00 0.00 C ATOM 870 O LEU A 57 16.745 -6.227 8.974 1.00 0.00 O ATOM 871 CB LEU A 57 17.454 -3.488 10.572 1.00 0.00 C ATOM 872 CG LEU A 57 17.011 -2.274 11.406 1.00 0.00 C ATOM 873 CD1 LEU A 57 17.735 -1.023 10.911 1.00 0.00 C ATOM 874 CD2 LEU A 57 15.506 -2.023 11.338 1.00 0.00 C ATOM 0 H LEU A 57 17.741 -4.521 12.836 1.00 0.00 H new ATOM 0 HA LEU A 57 15.770 -4.796 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 57 18.540 -3.564 10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.207 -3.291 9.529 1.00 0.00 H new ATOM 0 HG LEU A 57 17.265 -2.495 12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.421 -0.163 11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.811 -1.161 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 17.490 -0.852 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 57 15.254 -1.154 11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.214 -1.839 10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.974 -2.896 11.715 1.00 0.00 H new ATOM 886 N LYS A 58 18.505 -6.587 10.341 1.00 0.00 N ATOM 887 CA LYS A 58 19.110 -7.715 9.605 1.00 0.00 C ATOM 888 C LYS A 58 18.375 -9.050 9.860 1.00 0.00 C ATOM 889 O LYS A 58 18.607 -10.033 9.154 1.00 0.00 O ATOM 890 CB LYS A 58 20.602 -7.782 9.994 1.00 0.00 C ATOM 891 CG LYS A 58 21.451 -8.638 9.037 1.00 0.00 C ATOM 892 CD LYS A 58 22.945 -8.647 9.403 1.00 0.00 C ATOM 893 CE LYS A 58 23.622 -7.272 9.319 1.00 0.00 C ATOM 894 NZ LYS A 58 23.614 -6.737 7.940 1.00 0.00 N ATOM 0 H LYS A 58 19.039 -6.330 11.171 1.00 0.00 H new ATOM 0 HA LYS A 58 19.015 -7.547 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.008 -6.771 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.688 -8.186 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.075 -9.661 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.334 -8.261 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.057 -9.033 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.466 -9.337 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.111 -6.574 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.650 -7.351 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.139 -5.840 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.064 -7.421 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.633 -6.573 7.637 1.00 0.00 H new ATOM 908 N GLY A 59 17.457 -9.082 10.830 1.00 0.00 N ATOM 909 CA GLY A 59 16.617 -10.228 11.197 1.00 0.00 C ATOM 910 C GLY A 59 17.191 -11.170 12.262 1.00 0.00 C ATOM 911 O GLY A 59 16.614 -12.237 12.486 1.00 0.00 O ATOM 0 H GLY A 59 17.269 -8.266 11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.658 -9.851 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.417 -10.809 10.297 1.00 0.00 H new ATOM 915 N ARG A 60 18.292 -10.798 12.935 1.00 0.00 N ATOM 916 CA ARG A 60 18.914 -11.597 14.004 1.00 0.00 C ATOM 917 C ARG A 60 19.719 -10.721 14.974 1.00 0.00 C ATOM 918 O ARG A 60 20.910 -10.481 14.767 1.00 0.00 O ATOM 919 CB ARG A 60 19.778 -12.725 13.404 1.00 0.00 C ATOM 920 CG ARG A 60 20.312 -13.702 14.470 1.00 0.00 C ATOM 921 CD ARG A 60 19.234 -14.528 15.190 1.00 0.00 C ATOM 922 NE ARG A 60 18.451 -15.360 14.258 1.00 0.00 N ATOM 923 CZ ARG A 60 17.442 -16.154 14.579 1.00 0.00 C ATOM 924 NH1 ARG A 60 17.023 -16.301 15.810 1.00 0.00 N ATOM 925 NH2 ARG A 60 16.822 -16.836 13.655 1.00 0.00 N ATOM 0 H ARG A 60 18.782 -9.923 12.750 1.00 0.00 H new ATOM 0 HA ARG A 60 18.116 -12.057 14.586 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.188 -13.279 12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 60 20.619 -12.286 12.867 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.016 -14.386 13.995 1.00 0.00 H new ATOM 0 HG3 ARG A 60 20.871 -13.135 15.214 1.00 0.00 H new ATOM 0 HD2 ARG A 60 19.707 -15.168 15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 60 18.563 -13.857 15.726 1.00 0.00 H new ATOM 0 HE ARG A 60 18.712 -15.320 13.273 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.478 -15.792 16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.241 -16.924 16.012 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.115 -16.758 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.045 -17.447 13.907 1.00 0.00 H new ATOM 939 N CYS A 61 19.051 -10.274 16.038 1.00 0.00 N ATOM 940 CA CYS A 61 19.643 -9.486 17.128 1.00 0.00 C ATOM 941 C CYS A 61 20.848 -10.231 17.753 1.00 0.00 C ATOM 942 O CYS A 61 20.785 -11.452 17.956 1.00 0.00 O ATOM 943 CB CYS A 61 18.547 -9.182 18.163 1.00 0.00 C ATOM 944 SG CYS A 61 19.162 -8.050 19.457 1.00 0.00 S ATOM 0 H CYS A 61 18.056 -10.453 16.172 1.00 0.00 H new ATOM 0 HA CYS A 61 20.031 -8.543 16.743 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.686 -8.737 17.665 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.206 -10.111 18.620 1.00 0.00 H new ATOM 0 HG CYS A 61 19.262 -6.848 18.971 1.00 0.00 H new ATOM 949 N SER A 62 21.948 -9.522 18.038 1.00 0.00 N ATOM 950 CA SER A 62 23.178 -10.124 18.595 1.00 0.00 C ATOM 951 C SER A 62 24.016 -9.216 19.520 1.00 0.00 C ATOM 952 O SER A 62 25.186 -9.517 19.789 1.00 0.00 O ATOM 953 CB SER A 62 24.036 -10.665 17.438 1.00 0.00 C ATOM 954 OG SER A 62 24.439 -9.623 16.559 1.00 0.00 O ATOM 0 H SER A 62 22.016 -8.515 17.891 1.00 0.00 H new ATOM 0 HA SER A 62 22.844 -10.925 19.254 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.917 -11.165 17.840 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.470 -11.413 16.883 1.00 0.00 H new ATOM 0 HG SER A 62 24.984 -9.998 15.836 1.00 0.00 H new ATOM 1013 N CYS A 66 21.266 -5.463 24.834 1.00 0.00 N ATOM 1014 CA CYS A 66 20.502 -4.699 23.848 1.00 0.00 C ATOM 1015 C CYS A 66 19.540 -3.694 24.522 1.00 0.00 C ATOM 1016 O CYS A 66 18.839 -4.008 25.494 1.00 0.00 O ATOM 1017 CB CYS A 66 19.790 -5.725 22.946 1.00 0.00 C ATOM 1018 SG CYS A 66 18.999 -4.946 21.500 1.00 0.00 S ATOM 0 HA CYS A 66 21.155 -4.074 23.239 1.00 0.00 H new ATOM 0 HB2 CYS A 66 20.511 -6.468 22.606 1.00 0.00 H new ATOM 0 HB3 CYS A 66 19.036 -6.255 23.528 1.00 0.00 H new ATOM 0 HG CYS A 66 18.060 -5.723 21.048 1.00 0.00 H new ATOM 1023 N LYS A 67 19.573 -2.456 24.009 1.00 0.00 N ATOM 1024 CA LYS A 67 18.846 -1.264 24.496 1.00 0.00 C ATOM 1025 C LYS A 67 18.149 -0.441 23.399 1.00 0.00 C ATOM 1026 O LYS A 67 17.570 0.611 23.680 1.00 0.00 O ATOM 1027 CB LYS A 67 19.833 -0.401 25.303 1.00 0.00 C ATOM 1028 CG LYS A 67 21.033 0.112 24.484 1.00 0.00 C ATOM 1029 CD LYS A 67 21.949 0.973 25.360 1.00 0.00 C ATOM 1030 CE LYS A 67 23.019 1.676 24.519 1.00 0.00 C ATOM 1031 NZ LYS A 67 23.917 2.463 25.384 1.00 0.00 N ATOM 0 H LYS A 67 20.143 -2.242 23.191 1.00 0.00 H new ATOM 0 HA LYS A 67 18.025 -1.614 25.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.298 0.453 25.718 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.204 -0.984 26.146 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.593 -0.731 24.080 1.00 0.00 H new ATOM 0 HG3 LYS A 67 20.679 0.695 23.634 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.355 1.716 25.892 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.428 0.348 26.114 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.595 0.938 23.961 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.544 2.329 23.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.637 2.934 24.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.365 3.179 25.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.383 1.831 26.066 1.00 0.00 H new ATOM 1045 N TYR A 68 18.205 -0.902 22.155 1.00 0.00 N ATOM 1046 CA TYR A 68 17.618 -0.250 20.983 1.00 0.00 C ATOM 1047 C TYR A 68 16.205 -0.786 20.670 1.00 0.00 C ATOM 1048 O TYR A 68 15.757 -1.781 21.248 1.00 0.00 O ATOM 1049 CB TYR A 68 18.597 -0.461 19.814 1.00 0.00 C ATOM 1050 CG TYR A 68 19.960 0.197 19.985 1.00 0.00 C ATOM 1051 CD1 TYR A 68 20.049 1.572 20.276 1.00 0.00 C ATOM 1052 CD2 TYR A 68 21.141 -0.560 19.839 1.00 0.00 C ATOM 1053 CE1 TYR A 68 21.304 2.188 20.442 1.00 0.00 C ATOM 1054 CE2 TYR A 68 22.400 0.051 20.003 1.00 0.00 C ATOM 1055 CZ TYR A 68 22.484 1.425 20.313 1.00 0.00 C ATOM 1056 OH TYR A 68 23.699 2.013 20.495 1.00 0.00 O ATOM 0 H TYR A 68 18.679 -1.775 21.922 1.00 0.00 H new ATOM 0 HA TYR A 68 17.479 0.815 21.168 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.743 -1.532 19.672 1.00 0.00 H new ATOM 0 HB3 TYR A 68 18.138 -0.078 18.903 1.00 0.00 H new ATOM 0 HD1 TYR A 68 19.147 2.159 20.373 1.00 0.00 H new ATOM 0 HD2 TYR A 68 21.080 -1.612 19.601 1.00 0.00 H new ATOM 0 HE1 TYR A 68 21.364 3.242 20.668 1.00 0.00 H new ATOM 0 HE2 TYR A 68 23.302 -0.533 19.891 1.00 0.00 H new ATOM 0 HH TYR A 68 24.407 1.347 20.371 1.00 0.00 H new ATOM 1066 N LEU A 69 15.479 -0.134 19.754 1.00 0.00 N ATOM 1067 CA LEU A 69 14.116 -0.522 19.371 1.00 0.00 C ATOM 1068 C LEU A 69 14.126 -1.618 18.288 1.00 0.00 C ATOM 1069 O LEU A 69 14.847 -1.515 17.296 1.00 0.00 O ATOM 1070 CB LEU A 69 13.413 0.738 18.821 1.00 0.00 C ATOM 1071 CG LEU A 69 12.010 0.521 18.223 1.00 0.00 C ATOM 1072 CD1 LEU A 69 10.977 0.161 19.292 1.00 0.00 C ATOM 1073 CD2 LEU A 69 11.562 1.796 17.519 1.00 0.00 C ATOM 0 H LEU A 69 15.824 0.685 19.253 1.00 0.00 H new ATOM 0 HA LEU A 69 13.594 -0.924 20.240 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.334 1.467 19.627 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.049 1.179 18.054 1.00 0.00 H new ATOM 0 HG LEU A 69 12.076 -0.311 17.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.003 0.018 18.823 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.278 -0.759 19.793 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.913 0.968 20.022 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.569 1.647 17.094 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.531 2.616 18.236 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.265 2.038 16.722 1.00 0.00 H new ATOM 1085 N HIS A 70 13.285 -2.642 18.462 1.00 0.00 N ATOM 1086 CA HIS A 70 13.064 -3.704 17.470 1.00 0.00 C ATOM 1087 C HIS A 70 11.762 -3.363 16.713 1.00 0.00 C ATOM 1088 O HIS A 70 10.676 -3.526 17.282 1.00 0.00 O ATOM 1089 CB HIS A 70 12.929 -5.063 18.183 1.00 0.00 C ATOM 1090 CG HIS A 70 14.204 -5.646 18.744 1.00 0.00 C ATOM 1091 ND1 HIS A 70 14.362 -6.943 19.188 1.00 0.00 N ATOM 1092 CD2 HIS A 70 15.432 -5.045 18.831 1.00 0.00 C ATOM 1093 CE1 HIS A 70 15.658 -7.121 19.507 1.00 0.00 C ATOM 1094 NE2 HIS A 70 16.352 -5.988 19.305 1.00 0.00 N ATOM 0 H HIS A 70 12.729 -2.760 19.309 1.00 0.00 H new ATOM 0 HA HIS A 70 13.901 -3.770 16.775 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.214 -4.954 18.998 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.504 -5.779 17.480 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.625 -7.645 19.262 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.653 -4.019 18.577 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.081 -8.045 19.874 1.00 0.00 H new ATOM 1102 N PRO A 71 11.820 -2.875 15.458 1.00 0.00 N ATOM 1103 CA PRO A 71 10.623 -2.475 14.722 1.00 0.00 C ATOM 1104 C PRO A 71 9.890 -3.654 14.048 1.00 0.00 C ATOM 1105 O PRO A 71 10.541 -4.579 13.550 1.00 0.00 O ATOM 1106 CB PRO A 71 11.140 -1.498 13.663 1.00 0.00 C ATOM 1107 CG PRO A 71 12.543 -2.010 13.349 1.00 0.00 C ATOM 1108 CD PRO A 71 13.020 -2.586 14.681 1.00 0.00 C ATOM 0 HA PRO A 71 9.885 -2.043 15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.507 -1.498 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.162 -0.475 14.039 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.527 -2.769 12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.195 -1.208 13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.609 -3.490 14.525 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.660 -1.876 15.204 1.00 0.00 H new ATOM 1116 N PRO A 72 8.545 -3.613 13.957 1.00 0.00 N ATOM 1117 CA PRO A 72 7.757 -4.602 13.217 1.00 0.00 C ATOM 1118 C PRO A 72 7.990 -4.428 11.700 1.00 0.00 C ATOM 1119 O PRO A 72 8.447 -3.360 11.281 1.00 0.00 O ATOM 1120 CB PRO A 72 6.303 -4.315 13.602 1.00 0.00 C ATOM 1121 CG PRO A 72 6.311 -2.807 13.844 1.00 0.00 C ATOM 1122 CD PRO A 72 7.670 -2.586 14.500 1.00 0.00 C ATOM 0 HA PRO A 72 8.032 -5.630 13.455 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.611 -4.594 12.807 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.004 -4.867 14.493 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.213 -2.246 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.492 -2.496 14.492 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.053 -1.590 14.279 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.598 -2.667 15.585 1.00 0.00 H new ATOM 1130 N PRO A 73 7.673 -5.426 10.850 1.00 0.00 N ATOM 1131 CA PRO A 73 7.894 -5.377 9.400 1.00 0.00 C ATOM 1132 C PRO A 73 7.532 -4.063 8.685 1.00 0.00 C ATOM 1133 O PRO A 73 8.309 -3.598 7.849 1.00 0.00 O ATOM 1134 CB PRO A 73 7.131 -6.576 8.832 1.00 0.00 C ATOM 1135 CG PRO A 73 7.198 -7.592 9.970 1.00 0.00 C ATOM 1136 CD PRO A 73 7.118 -6.721 11.224 1.00 0.00 C ATOM 0 HA PRO A 73 8.967 -5.422 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.102 -6.318 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.596 -6.957 7.922 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.375 -8.305 9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.122 -8.170 9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.087 -6.620 11.564 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.682 -7.165 12.044 1.00 0.00 H new ATOM 1144 N HIS A 74 6.398 -3.425 9.011 1.00 0.00 N ATOM 1145 CA HIS A 74 6.008 -2.151 8.379 1.00 0.00 C ATOM 1146 C HIS A 74 6.955 -0.991 8.732 1.00 0.00 C ATOM 1147 O HIS A 74 7.406 -0.280 7.834 1.00 0.00 O ATOM 1148 CB HIS A 74 4.522 -1.833 8.640 1.00 0.00 C ATOM 1149 CG HIS A 74 4.173 -1.342 10.024 1.00 0.00 C ATOM 1150 ND1 HIS A 74 3.959 -2.121 11.148 1.00 0.00 N ATOM 1151 CD2 HIS A 74 3.912 -0.043 10.366 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.579 -1.307 12.152 1.00 0.00 C ATOM 1153 NE2 HIS A 74 3.547 -0.041 11.697 1.00 0.00 N ATOM 0 H HIS A 74 5.735 -3.767 9.706 1.00 0.00 H new ATOM 0 HA HIS A 74 6.117 -2.276 7.302 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.202 -1.080 7.920 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.940 -2.733 8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.979 0.818 9.717 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.339 -1.619 13.158 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.295 0.782 12.244 1.00 0.00 H new ATOM 1162 N LEU A 75 7.335 -0.830 10.007 1.00 0.00 N ATOM 1163 CA LEU A 75 8.309 0.196 10.420 1.00 0.00 C ATOM 1164 C LEU A 75 9.732 -0.172 9.968 1.00 0.00 C ATOM 1165 O LEU A 75 10.497 0.709 9.587 1.00 0.00 O ATOM 1166 CB LEU A 75 8.253 0.447 11.938 1.00 0.00 C ATOM 1167 CG LEU A 75 6.918 0.989 12.488 1.00 0.00 C ATOM 1168 CD1 LEU A 75 7.072 1.381 13.960 1.00 0.00 C ATOM 1169 CD2 LEU A 75 6.411 2.222 11.736 1.00 0.00 C ATOM 0 H LEU A 75 6.982 -1.400 10.776 1.00 0.00 H new ATOM 0 HA LEU A 75 8.034 1.127 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.480 -0.489 12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.043 1.152 12.198 1.00 0.00 H new ATOM 0 HG LEU A 75 6.197 0.182 12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.123 1.762 14.336 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.368 0.507 14.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.835 2.153 14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.469 2.553 12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.147 3.023 11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.256 1.970 10.687 1.00 0.00 H new ATOM 1181 N LYS A 76 10.080 -1.466 9.939 1.00 0.00 N ATOM 1182 CA LYS A 76 11.366 -1.979 9.432 1.00 0.00 C ATOM 1183 C LYS A 76 11.541 -1.627 7.947 1.00 0.00 C ATOM 1184 O LYS A 76 12.618 -1.206 7.527 1.00 0.00 O ATOM 1185 CB LYS A 76 11.415 -3.493 9.701 1.00 0.00 C ATOM 1186 CG LYS A 76 12.792 -4.115 9.420 1.00 0.00 C ATOM 1187 CD LYS A 76 12.886 -5.581 9.871 1.00 0.00 C ATOM 1188 CE LYS A 76 12.767 -5.725 11.394 1.00 0.00 C ATOM 1189 NZ LYS A 76 13.006 -7.116 11.828 1.00 0.00 N ATOM 0 H LYS A 76 9.462 -2.205 10.275 1.00 0.00 H new ATOM 0 HA LYS A 76 12.203 -1.510 9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.145 -3.679 10.740 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.667 -3.989 9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.002 -4.054 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.560 -3.533 9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.097 -6.159 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.836 -6.001 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.484 -5.063 11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.774 -5.409 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.446 -7.315 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.725 -7.770 11.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.016 -7.245 12.039 1.00 0.00 H new ATOM 1203 N THR A 77 10.463 -1.721 7.165 1.00 0.00 N ATOM 1204 CA THR A 77 10.438 -1.308 5.751 1.00 0.00 C ATOM 1205 C THR A 77 10.603 0.211 5.633 1.00 0.00 C ATOM 1206 O THR A 77 11.386 0.680 4.807 1.00 0.00 O ATOM 1207 CB THR A 77 9.142 -1.764 5.057 1.00 0.00 C ATOM 1208 OG1 THR A 77 9.017 -3.169 5.131 1.00 0.00 O ATOM 1209 CG2 THR A 77 9.126 -1.403 3.572 1.00 0.00 C ATOM 0 H THR A 77 9.571 -2.089 7.495 1.00 0.00 H new ATOM 0 HA THR A 77 11.275 -1.792 5.247 1.00 0.00 H new ATOM 0 HB THR A 77 8.326 -1.256 5.571 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.772 -3.428 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.193 -1.744 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.208 -0.322 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.966 -1.885 3.071 1.00 0.00 H new ATOM 1217 N GLN A 78 9.931 1.000 6.486 1.00 0.00 N ATOM 1218 CA GLN A 78 10.097 2.462 6.505 1.00 0.00 C ATOM 1219 C GLN A 78 11.541 2.852 6.862 1.00 0.00 C ATOM 1220 O GLN A 78 12.074 3.801 6.285 1.00 0.00 O ATOM 1221 CB GLN A 78 9.097 3.118 7.471 1.00 0.00 C ATOM 1222 CG GLN A 78 7.657 3.067 6.937 1.00 0.00 C ATOM 1223 CD GLN A 78 6.630 3.617 7.928 1.00 0.00 C ATOM 1224 OE1 GLN A 78 6.888 4.512 8.721 1.00 0.00 O ATOM 1225 NE2 GLN A 78 5.414 3.108 7.920 1.00 0.00 N ATOM 0 H GLN A 78 9.265 0.648 7.174 1.00 0.00 H new ATOM 0 HA GLN A 78 9.889 2.833 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.143 2.614 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.384 4.156 7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.599 3.637 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.402 2.035 6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.178 2.361 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.709 3.461 8.567 1.00 0.00 H new ATOM 1234 N LEU A 79 12.195 2.110 7.764 1.00 0.00 N ATOM 1235 CA LEU A 79 13.598 2.305 8.136 1.00 0.00 C ATOM 1236 C LEU A 79 14.499 2.088 6.909 1.00 0.00 C ATOM 1237 O LEU A 79 15.321 2.943 6.593 1.00 0.00 O ATOM 1238 CB LEU A 79 13.947 1.345 9.296 1.00 0.00 C ATOM 1239 CG LEU A 79 15.170 1.704 10.159 1.00 0.00 C ATOM 1240 CD1 LEU A 79 16.474 1.865 9.383 1.00 0.00 C ATOM 1241 CD2 LEU A 79 14.924 2.971 10.966 1.00 0.00 C ATOM 0 H LEU A 79 11.752 1.340 8.266 1.00 0.00 H new ATOM 0 HA LEU A 79 13.765 3.326 8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.079 1.277 9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.109 0.352 8.876 1.00 0.00 H new ATOM 0 HG LEU A 79 15.294 0.844 10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.279 2.117 10.073 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.712 0.931 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.364 2.662 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 79 15.806 3.198 11.565 1.00 0.00 H new ATOM 0 HD22 LEU A 79 14.722 3.801 10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.067 2.823 11.623 1.00 0.00 H new ATOM 1253 N GLU A 80 14.313 0.986 6.174 1.00 0.00 N ATOM 1254 CA GLU A 80 15.070 0.698 4.945 1.00 0.00 C ATOM 1255 C GLU A 80 14.909 1.814 3.894 1.00 0.00 C ATOM 1256 O GLU A 80 15.895 2.241 3.287 1.00 0.00 O ATOM 1257 CB GLU A 80 14.640 -0.675 4.399 1.00 0.00 C ATOM 1258 CG GLU A 80 15.434 -1.098 3.157 1.00 0.00 C ATOM 1259 CD GLU A 80 15.047 -2.516 2.716 1.00 0.00 C ATOM 1260 OE1 GLU A 80 15.831 -3.456 2.995 1.00 0.00 O ATOM 1261 OE2 GLU A 80 13.965 -2.665 2.100 1.00 0.00 O ATOM 0 H GLU A 80 13.632 0.265 6.413 1.00 0.00 H new ATOM 0 HA GLU A 80 16.133 0.665 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.767 -1.426 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.578 -0.647 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.247 -0.396 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.502 -1.059 3.372 1.00 0.00 H new ATOM 1268 N ILE A 81 13.684 2.323 3.707 1.00 0.00 N ATOM 1269 CA ILE A 81 13.386 3.432 2.785 1.00 0.00 C ATOM 1270 C ILE A 81 14.093 4.720 3.242 1.00 0.00 C ATOM 1271 O ILE A 81 14.759 5.368 2.434 1.00 0.00 O ATOM 1272 CB ILE A 81 11.854 3.611 2.643 1.00 0.00 C ATOM 1273 CG1 ILE A 81 11.252 2.395 1.897 1.00 0.00 C ATOM 1274 CG2 ILE A 81 11.498 4.912 1.895 1.00 0.00 C ATOM 1275 CD1 ILE A 81 9.723 2.301 1.984 1.00 0.00 C ATOM 0 H ILE A 81 12.861 1.973 4.197 1.00 0.00 H new ATOM 0 HA ILE A 81 13.776 3.194 1.795 1.00 0.00 H new ATOM 0 HB ILE A 81 11.431 3.677 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 81 11.543 2.446 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.685 1.482 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.415 5.001 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.893 5.767 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.934 4.889 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.381 1.423 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.422 2.217 3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.278 3.196 1.549 1.00 0.00 H new ATOM 1287 N ASN A 82 14.004 5.083 4.528 1.00 0.00 N ATOM 1288 CA ASN A 82 14.681 6.264 5.087 1.00 0.00 C ATOM 1289 C ASN A 82 16.209 6.145 4.975 1.00 0.00 C ATOM 1290 O ASN A 82 16.879 7.113 4.609 1.00 0.00 O ATOM 1291 CB ASN A 82 14.245 6.479 6.548 1.00 0.00 C ATOM 1292 CG ASN A 82 12.949 7.266 6.645 1.00 0.00 C ATOM 1293 OD1 ASN A 82 12.943 8.486 6.724 1.00 0.00 O ATOM 1294 ND2 ASN A 82 11.814 6.609 6.624 1.00 0.00 N ATOM 0 H ASN A 82 13.458 4.564 5.215 1.00 0.00 H new ATOM 0 HA ASN A 82 14.385 7.136 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 82 14.119 5.512 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.031 7.007 7.087 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.930 7.116 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.815 5.591 6.558 1.00 0.00 H new ATOM 1301 N GLY A 83 16.762 4.959 5.242 1.00 0.00 N ATOM 1302 CA GLY A 83 18.186 4.669 5.112 1.00 0.00 C ATOM 1303 C GLY A 83 18.660 4.905 3.683 1.00 0.00 C ATOM 1304 O GLY A 83 19.543 5.732 3.453 1.00 0.00 O ATOM 0 H GLY A 83 16.217 4.158 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 83 18.754 5.299 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.378 3.635 5.397 1.00 0.00 H new