USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 479 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 34 LYS NZ :NH3+ 168:sc= -0.0695 (180deg=-0.233) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 CYS SG : rot -162:sc= 1.93 USER MOD Set 2.2: A 33 CYS SG : rot 137:sc= 0.909 USER MOD Set 2.3: A 63 CYS SG : rot 1:sc= -0.358 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -1.18 K(o=-0.48,f=-6.7!) USER MOD Set 3.2: A 43 TYR OH : rot -7:sc= 0.705 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0176 (180deg=-0.209) USER MOD Single : A 14 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 16 CYS SG : rot 62:sc= 0.798 USER MOD Single : A 17 THR OG1 : rot 75:sc= 0.0581 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 145:sc= -1.66! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.4) USER MOD Single : A 36 GLN : amide:sc= 0.164 K(o=0.16,f=-0.79) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 36:sc= 1.11 USER MOD Single : A 58 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0887) USER MOD ----------------------------------------------------------------- ATOM 156 N PRO A 9 62.614 2.884 -6.584 1.00 0.00 N ATOM 157 CA PRO A 9 63.854 3.512 -7.099 1.00 0.00 C ATOM 158 C PRO A 9 65.049 2.636 -6.822 1.00 0.00 C ATOM 159 O PRO A 9 64.904 1.519 -6.400 1.00 0.00 O ATOM 160 CB PRO A 9 64.040 4.741 -6.236 1.00 0.00 C ATOM 161 CG PRO A 9 63.173 4.571 -5.063 1.00 0.00 C ATOM 162 CD PRO A 9 62.209 3.458 -5.297 1.00 0.00 C ATOM 0 HA PRO A 9 63.777 3.699 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.082 4.847 -5.934 1.00 0.00 H new ATOM 0 HB3 PRO A 9 63.774 5.644 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 9 63.778 4.360 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 9 62.632 5.496 -4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.258 2.717 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.182 3.823 -5.331 1.00 0.00 H new ATOM 170 N ARG A 10 66.238 3.151 -7.046 1.00 0.00 N ATOM 171 CA ARG A 10 67.422 2.444 -6.678 1.00 0.00 C ATOM 172 C ARG A 10 68.257 3.223 -5.686 1.00 0.00 C ATOM 173 O ARG A 10 69.299 2.749 -5.251 1.00 0.00 O ATOM 174 CB ARG A 10 68.233 2.101 -7.894 1.00 0.00 C ATOM 175 CG ARG A 10 67.524 1.190 -8.872 1.00 0.00 C ATOM 176 CD ARG A 10 67.044 -0.113 -8.236 1.00 0.00 C ATOM 177 NE ARG A 10 68.142 -0.979 -7.786 1.00 0.00 N ATOM 178 CZ ARG A 10 68.107 -2.318 -7.817 1.00 0.00 C ATOM 179 NH1 ARG A 10 67.010 -2.948 -8.206 1.00 0.00 N ATOM 180 NH2 ARG A 10 69.158 -3.020 -7.433 1.00 0.00 N ATOM 0 H ARG A 10 66.400 4.059 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 10 67.111 1.520 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 10 68.508 3.023 -8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 10 69.160 1.624 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 10 66.669 1.717 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A 10 68.197 0.958 -9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 10 66.403 0.120 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 10 66.433 -0.657 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 10 68.986 -0.532 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 10 66.187 -2.414 -8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 10 66.988 -3.968 -8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 10 70.000 -2.543 -7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 10 69.127 -4.039 -7.458 1.00 0.00 H new ATOM 194 N LYS A 11 67.816 4.417 -5.315 1.00 0.00 N ATOM 195 CA LYS A 11 68.555 5.178 -4.348 1.00 0.00 C ATOM 196 C LYS A 11 67.786 5.262 -3.071 1.00 0.00 C ATOM 197 O LYS A 11 66.563 5.388 -3.102 1.00 0.00 O ATOM 198 CB LYS A 11 68.839 6.572 -4.823 1.00 0.00 C ATOM 199 CG LYS A 11 69.593 6.650 -6.117 1.00 0.00 C ATOM 200 CD LYS A 11 70.103 8.045 -6.321 1.00 0.00 C ATOM 201 CE LYS A 11 70.859 8.191 -7.630 1.00 0.00 C ATOM 202 NZ LYS A 11 72.032 7.289 -7.704 1.00 0.00 N ATOM 0 H LYS A 11 66.968 4.862 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 11 69.504 4.664 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 11 67.894 7.103 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 69.408 7.095 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 70.425 5.946 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 11 68.944 6.365 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 11 69.265 8.742 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.758 8.316 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.187 7.978 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 11 71.189 9.224 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.620 7.550 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.593 7.376 -6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.708 6.306 -7.811 1.00 0.00 H new ATOM 216 N LEU A 12 68.491 5.223 -1.973 1.00 0.00 N ATOM 217 CA LEU A 12 67.918 5.324 -0.644 1.00 0.00 C ATOM 218 C LEU A 12 67.081 6.603 -0.411 1.00 0.00 C ATOM 219 O LEU A 12 65.913 6.499 -0.028 1.00 0.00 O ATOM 220 CB LEU A 12 69.003 5.192 0.423 1.00 0.00 C ATOM 221 CG LEU A 12 68.563 5.528 1.839 1.00 0.00 C ATOM 222 CD1 LEU A 12 67.483 4.597 2.297 1.00 0.00 C ATOM 223 CD2 LEU A 12 69.707 5.438 2.771 1.00 0.00 C ATOM 0 H LEU A 12 69.506 5.118 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 12 67.219 4.492 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 12 69.380 4.170 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 12 69.835 5.842 0.154 1.00 0.00 H new ATOM 0 HG LEU A 12 68.177 6.547 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 12 67.185 4.857 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 12 66.623 4.683 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 12 67.854 3.572 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 12 69.374 5.682 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 12 70.110 4.425 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 12 70.482 6.141 2.465 1.00 0.00 H new ATOM 235 N PRO A 13 67.623 7.821 -0.646 1.00 0.00 N ATOM 236 CA PRO A 13 66.887 9.048 -0.346 1.00 0.00 C ATOM 237 C PRO A 13 65.683 9.202 -1.289 1.00 0.00 C ATOM 238 O PRO A 13 64.609 9.670 -0.897 1.00 0.00 O ATOM 239 CB PRO A 13 67.959 10.136 -0.540 1.00 0.00 C ATOM 240 CG PRO A 13 68.861 9.578 -1.573 1.00 0.00 C ATOM 241 CD PRO A 13 68.957 8.124 -1.248 1.00 0.00 C ATOM 0 HA PRO A 13 66.448 9.082 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 13 67.516 11.078 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 13 68.494 10.338 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 13 68.460 9.734 -2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 13 69.840 10.056 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.143 7.524 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 13 69.769 7.920 -0.551 1.00 0.00 H new ATOM 249 N GLN A 14 65.868 8.745 -2.512 1.00 0.00 N ATOM 250 CA GLN A 14 64.836 8.725 -3.508 1.00 0.00 C ATOM 251 C GLN A 14 63.734 7.737 -3.101 1.00 0.00 C ATOM 252 O GLN A 14 62.561 7.982 -3.313 1.00 0.00 O ATOM 253 CB GLN A 14 65.440 8.331 -4.847 1.00 0.00 C ATOM 254 CG GLN A 14 64.472 8.404 -5.994 1.00 0.00 C ATOM 255 CD GLN A 14 65.078 7.968 -7.321 1.00 0.00 C ATOM 256 OE1 GLN A 14 64.388 7.418 -8.174 1.00 0.00 O ATOM 257 NE2 GLN A 14 66.347 8.229 -7.518 1.00 0.00 N ATOM 0 H GLN A 14 66.759 8.372 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 14 64.391 9.716 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.289 8.982 -5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.828 7.315 -4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 14 63.609 7.776 -5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 14 64.107 9.427 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 14 66.893 8.687 -6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 14 66.789 7.974 -8.401 1.00 0.00 H new ATOM 266 N LEU A 15 64.131 6.622 -2.512 1.00 0.00 N ATOM 267 CA LEU A 15 63.210 5.638 -2.032 1.00 0.00 C ATOM 268 C LEU A 15 62.377 6.178 -0.911 1.00 0.00 C ATOM 269 O LEU A 15 61.189 5.971 -0.876 1.00 0.00 O ATOM 270 CB LEU A 15 63.965 4.432 -1.567 1.00 0.00 C ATOM 271 CG LEU A 15 63.154 3.340 -0.963 1.00 0.00 C ATOM 272 CD1 LEU A 15 62.204 2.768 -1.966 1.00 0.00 C ATOM 273 CD2 LEU A 15 64.060 2.293 -0.469 1.00 0.00 C ATOM 0 H LEU A 15 65.111 6.384 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 15 62.542 5.364 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 15 64.512 4.022 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 64.706 4.753 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 15 62.568 3.743 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 61.622 1.972 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 61.532 3.551 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 15 62.765 2.364 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 15 63.476 1.487 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 15 64.648 1.900 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 15 64.728 2.715 0.282 1.00 0.00 H new ATOM 285 N CYS A 16 63.002 6.871 -0.015 1.00 0.00 N ATOM 286 CA CYS A 16 62.305 7.480 1.114 1.00 0.00 C ATOM 287 C CYS A 16 61.165 8.400 0.603 1.00 0.00 C ATOM 288 O CYS A 16 60.066 8.416 1.162 1.00 0.00 O ATOM 289 CB CYS A 16 63.306 8.257 1.958 1.00 0.00 C ATOM 290 SG CYS A 16 64.659 7.251 2.603 1.00 0.00 S ATOM 0 H CYS A 16 64.008 7.041 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 16 61.853 6.705 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 16 63.722 9.065 1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 16 62.780 8.719 2.793 1.00 0.00 H new ATOM 0 HG CYS A 16 65.344 6.760 1.614 1.00 0.00 H new ATOM 296 N THR A 17 61.439 9.083 -0.501 1.00 0.00 N ATOM 297 CA THR A 17 60.479 9.920 -1.212 1.00 0.00 C ATOM 298 C THR A 17 59.232 9.098 -1.612 1.00 0.00 C ATOM 299 O THR A 17 58.081 9.563 -1.526 1.00 0.00 O ATOM 300 CB THR A 17 61.176 10.467 -2.479 1.00 0.00 C ATOM 301 OG1 THR A 17 62.194 11.433 -2.144 1.00 0.00 O ATOM 302 CG2 THR A 17 60.212 10.994 -3.529 1.00 0.00 C ATOM 0 H THR A 17 62.360 9.070 -0.939 1.00 0.00 H new ATOM 0 HA THR A 17 60.150 10.737 -0.570 1.00 0.00 H new ATOM 0 HB THR A 17 61.666 9.612 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 17 62.979 10.970 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 17 60.774 11.361 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 17 59.546 10.192 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 17 59.623 11.808 -3.106 1.00 0.00 H new ATOM 310 N GLU A 18 59.488 7.881 -1.981 1.00 0.00 N ATOM 311 CA GLU A 18 58.508 6.940 -2.439 1.00 0.00 C ATOM 312 C GLU A 18 57.650 6.420 -1.315 1.00 0.00 C ATOM 313 O GLU A 18 56.425 6.372 -1.413 1.00 0.00 O ATOM 314 CB GLU A 18 59.242 5.858 -3.109 1.00 0.00 C ATOM 315 CG GLU A 18 59.923 6.356 -4.365 1.00 0.00 C ATOM 316 CD GLU A 18 58.972 6.853 -5.428 1.00 0.00 C ATOM 317 OE1 GLU A 18 58.404 7.955 -5.289 1.00 0.00 O ATOM 318 OE2 GLU A 18 58.775 6.148 -6.423 1.00 0.00 O ATOM 0 H GLU A 18 60.433 7.496 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 18 57.814 7.421 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 18 59.986 5.444 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 18 58.555 5.050 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 18 60.607 7.162 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.527 5.550 -4.782 1.00 0.00 H new ATOM 325 N LEU A 19 58.297 6.043 -0.238 1.00 0.00 N ATOM 326 CA LEU A 19 57.630 5.669 0.989 1.00 0.00 C ATOM 327 C LEU A 19 56.976 6.861 1.675 1.00 0.00 C ATOM 328 O LEU A 19 56.323 6.686 2.711 1.00 0.00 O ATOM 329 CB LEU A 19 58.610 5.042 1.959 1.00 0.00 C ATOM 330 CG LEU A 19 59.128 3.643 1.677 1.00 0.00 C ATOM 331 CD1 LEU A 19 60.299 3.690 0.779 1.00 0.00 C ATOM 332 CD2 LEU A 19 59.496 2.982 2.951 1.00 0.00 C ATOM 0 H LEU A 19 59.314 5.986 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 19 56.856 4.953 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 19 59.473 5.705 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 19 58.138 5.027 2.941 1.00 0.00 H new ATOM 0 HG LEU A 19 58.340 3.072 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 60.654 2.677 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 19 60.016 4.157 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 61.093 4.271 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 19 59.867 1.978 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 19 60.273 3.561 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 19 58.619 2.920 3.595 1.00 0.00 H new ATOM 344 N GLN A 20 57.192 8.071 1.122 1.00 0.00 N ATOM 345 CA GLN A 20 56.568 9.303 1.608 1.00 0.00 C ATOM 346 C GLN A 20 57.035 9.613 3.024 1.00 0.00 C ATOM 347 O GLN A 20 56.320 10.215 3.835 1.00 0.00 O ATOM 348 CB GLN A 20 55.055 9.158 1.531 1.00 0.00 C ATOM 349 CG GLN A 20 54.535 9.038 0.108 1.00 0.00 C ATOM 350 CD GLN A 20 53.052 8.787 0.046 1.00 0.00 C ATOM 351 OE1 GLN A 20 52.608 7.639 0.053 1.00 0.00 O ATOM 352 NE2 GLN A 20 52.280 9.830 -0.018 1.00 0.00 N ATOM 0 H GLN A 20 57.808 8.214 0.322 1.00 0.00 H new ATOM 0 HA GLN A 20 56.867 10.143 0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 20 54.752 8.277 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 20 54.589 10.020 2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 20 54.767 9.953 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 20 55.057 8.226 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 20 52.686 10.766 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 20 51.268 9.713 -0.065 1.00 0.00 H new ATOM 361 N THR A 21 58.255 9.260 3.282 1.00 0.00 N ATOM 362 CA THR A 21 58.837 9.417 4.568 1.00 0.00 C ATOM 363 C THR A 21 60.328 9.761 4.378 1.00 0.00 C ATOM 364 O THR A 21 60.734 10.164 3.290 1.00 0.00 O ATOM 365 CB THR A 21 58.638 8.110 5.399 1.00 0.00 C ATOM 366 OG1 THR A 21 58.982 8.337 6.759 1.00 0.00 O ATOM 367 CG2 THR A 21 59.480 6.952 4.853 1.00 0.00 C ATOM 0 H THR A 21 58.881 8.848 2.590 1.00 0.00 H new ATOM 0 HA THR A 21 58.358 10.225 5.122 1.00 0.00 H new ATOM 0 HB THR A 21 57.586 7.834 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 21 58.390 7.813 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 21 59.312 6.062 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 21 59.192 6.748 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 21 60.536 7.221 4.889 1.00 0.00 H new ATOM 375 N THR A 22 61.125 9.657 5.406 1.00 0.00 N ATOM 376 CA THR A 22 62.525 9.933 5.264 1.00 0.00 C ATOM 377 C THR A 22 63.330 8.717 5.744 1.00 0.00 C ATOM 378 O THR A 22 62.742 7.717 6.190 1.00 0.00 O ATOM 379 CB THR A 22 62.907 11.172 6.085 1.00 0.00 C ATOM 380 OG1 THR A 22 61.753 12.016 6.180 1.00 0.00 O ATOM 381 CG2 THR A 22 63.989 11.963 5.354 1.00 0.00 C ATOM 0 H THR A 22 60.830 9.385 6.344 1.00 0.00 H new ATOM 0 HA THR A 22 62.750 10.129 4.216 1.00 0.00 H new ATOM 0 HB THR A 22 63.265 10.861 7.067 1.00 0.00 H new ATOM 0 HG1 THR A 22 61.974 12.815 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.257 12.842 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 22 64.870 11.335 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 22 63.614 12.278 4.380 1.00 0.00 H new ATOM 389 N ILE A 23 64.666 8.814 5.689 1.00 0.00 N ATOM 390 CA ILE A 23 65.585 7.764 6.124 1.00 0.00 C ATOM 391 C ILE A 23 65.348 7.417 7.595 1.00 0.00 C ATOM 392 O ILE A 23 65.609 6.320 8.080 1.00 0.00 O ATOM 393 CB ILE A 23 67.032 8.256 6.036 1.00 0.00 C ATOM 394 CG1 ILE A 23 67.275 8.902 4.693 1.00 0.00 C ATOM 395 CG2 ILE A 23 67.986 7.078 6.233 1.00 0.00 C ATOM 396 CD1 ILE A 23 68.715 9.183 4.387 1.00 0.00 C ATOM 0 H ILE A 23 65.143 9.643 5.333 1.00 0.00 H new ATOM 0 HA ILE A 23 65.414 6.901 5.480 1.00 0.00 H new ATOM 0 HB ILE A 23 67.210 8.994 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 66.872 8.254 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 23 66.718 9.838 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 23 69.016 7.429 6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 23 67.814 6.631 7.212 1.00 0.00 H new ATOM 0 HG23 ILE A 23 67.809 6.333 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 23 68.794 9.646 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 23 69.122 9.858 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 23 69.277 8.249 4.394 1.00 0.00 H new ATOM 408 N HIS A 24 64.788 8.374 8.251 1.00 0.00 N ATOM 409 CA HIS A 24 64.614 8.440 9.667 1.00 0.00 C ATOM 410 C HIS A 24 63.393 7.633 10.095 1.00 0.00 C ATOM 411 O HIS A 24 63.029 7.599 11.266 1.00 0.00 O ATOM 412 CB HIS A 24 64.392 9.922 10.024 1.00 0.00 C ATOM 413 CG HIS A 24 65.316 10.871 9.302 1.00 0.00 C ATOM 414 ND1 HIS A 24 66.506 10.473 8.763 1.00 0.00 N ATOM 415 CD2 HIS A 24 65.092 12.095 8.843 1.00 0.00 C ATOM 416 CE1 HIS A 24 66.955 11.418 7.957 1.00 0.00 C ATOM 417 NE2 HIS A 24 66.134 12.457 7.975 1.00 0.00 N ATOM 0 H HIS A 24 64.410 9.195 7.778 1.00 0.00 H new ATOM 0 HA HIS A 24 65.487 8.030 10.175 1.00 0.00 H new ATOM 0 HB2 HIS A 24 63.361 10.190 9.795 1.00 0.00 H new ATOM 0 HB3 HIS A 24 64.523 10.050 11.098 1.00 0.00 H new ATOM 0 HD2 HIS A 24 64.244 12.714 9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 24 67.859 11.353 7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 24 66.237 13.335 7.466 1.00 0.00 H new ATOM 425 N ASP A 25 62.746 7.020 9.135 1.00 0.00 N ATOM 426 CA ASP A 25 61.540 6.258 9.420 1.00 0.00 C ATOM 427 C ASP A 25 61.442 4.985 8.574 1.00 0.00 C ATOM 428 O ASP A 25 60.869 3.977 9.018 1.00 0.00 O ATOM 429 CB ASP A 25 60.331 7.133 9.179 1.00 0.00 C ATOM 430 CG ASP A 25 59.056 6.523 9.711 1.00 0.00 C ATOM 431 OD1 ASP A 25 58.838 6.564 10.936 1.00 0.00 O ATOM 432 OD2 ASP A 25 58.236 6.007 8.923 1.00 0.00 O ATOM 0 H ASP A 25 63.026 7.029 8.154 1.00 0.00 H new ATOM 0 HA ASP A 25 61.580 5.946 10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 25 60.489 8.103 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 25 60.225 7.312 8.109 1.00 0.00 H new ATOM 437 N ILE A 26 61.990 5.047 7.366 1.00 0.00 N ATOM 438 CA ILE A 26 61.999 3.936 6.401 1.00 0.00 C ATOM 439 C ILE A 26 62.556 2.628 6.971 1.00 0.00 C ATOM 440 O ILE A 26 63.556 2.614 7.718 1.00 0.00 O ATOM 441 CB ILE A 26 62.806 4.322 5.127 1.00 0.00 C ATOM 442 CG1 ILE A 26 62.911 3.148 4.148 1.00 0.00 C ATOM 443 CG2 ILE A 26 64.205 4.777 5.510 1.00 0.00 C ATOM 444 CD1 ILE A 26 63.548 3.502 2.841 1.00 0.00 C ATOM 0 H ILE A 26 62.452 5.886 7.015 1.00 0.00 H new ATOM 0 HA ILE A 26 60.953 3.758 6.151 1.00 0.00 H new ATOM 0 HB ILE A 26 62.271 5.135 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 26 63.485 2.348 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 26 61.912 2.755 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 26 64.760 5.044 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 64.138 5.645 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 26 64.721 3.969 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 26 63.586 2.619 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 26 62.963 4.279 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 26 64.560 3.866 3.016 1.00 0.00 H new ATOM 456 N ILE A 27 61.891 1.540 6.642 1.00 0.00 N ATOM 457 CA ILE A 27 62.354 0.262 6.992 1.00 0.00 C ATOM 458 C ILE A 27 63.007 -0.398 5.822 1.00 0.00 C ATOM 459 O ILE A 27 62.355 -0.902 4.897 1.00 0.00 O ATOM 460 CB ILE A 27 61.268 -0.608 7.629 1.00 0.00 C ATOM 461 CG1 ILE A 27 60.778 0.019 8.937 1.00 0.00 C ATOM 462 CG2 ILE A 27 61.768 -2.016 7.861 1.00 0.00 C ATOM 463 CD1 ILE A 27 61.811 0.037 10.052 1.00 0.00 C ATOM 0 H ILE A 27 61.013 1.543 6.122 1.00 0.00 H new ATOM 0 HA ILE A 27 63.111 0.387 7.766 1.00 0.00 H new ATOM 0 HB ILE A 27 60.427 -0.663 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 27 60.459 1.042 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 27 59.900 -0.528 9.281 1.00 0.00 H new ATOM 0 HG21 ILE A 27 60.977 -2.613 8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 27 62.058 -2.461 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 27 62.630 -1.991 8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 61.379 0.498 10.940 1.00 0.00 H new ATOM 0 HD12 ILE A 27 62.114 -0.984 10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 27 62.681 0.610 9.732 1.00 0.00 H new ATOM 475 N LEU A 28 64.291 -0.350 5.861 1.00 0.00 N ATOM 476 CA LEU A 28 65.103 -0.935 4.885 1.00 0.00 C ATOM 477 C LEU A 28 65.787 -2.042 5.480 1.00 0.00 C ATOM 478 O LEU A 28 66.325 -1.928 6.588 1.00 0.00 O ATOM 479 CB LEU A 28 66.083 0.055 4.368 1.00 0.00 C ATOM 480 CG LEU A 28 66.050 0.154 2.887 1.00 0.00 C ATOM 481 CD1 LEU A 28 64.607 0.317 2.478 1.00 0.00 C ATOM 482 CD2 LEU A 28 66.866 1.318 2.437 1.00 0.00 C ATOM 0 H LEU A 28 64.811 0.117 6.604 1.00 0.00 H new ATOM 0 HA LEU A 28 64.494 -1.275 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 28 65.872 1.033 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 28 67.086 -0.226 4.690 1.00 0.00 H new ATOM 0 HG LEU A 28 66.471 -0.739 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 28 64.543 0.393 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 64.033 -0.546 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.201 1.222 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.837 1.384 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.461 2.234 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 67.897 1.188 2.765 1.00 0.00 H new ATOM 494 N GLU A 29 65.769 -3.125 4.828 1.00 0.00 N ATOM 495 CA GLU A 29 66.393 -4.264 5.458 1.00 0.00 C ATOM 496 C GLU A 29 67.565 -4.744 4.688 1.00 0.00 C ATOM 497 O GLU A 29 68.030 -4.044 3.865 1.00 0.00 O ATOM 498 CB GLU A 29 65.377 -5.315 5.739 1.00 0.00 C ATOM 499 CG GLU A 29 64.181 -5.211 4.841 1.00 0.00 C ATOM 500 CD GLU A 29 62.998 -6.011 5.316 1.00 0.00 C ATOM 501 OE1 GLU A 29 62.879 -7.210 4.968 1.00 0.00 O ATOM 502 OE2 GLU A 29 62.147 -5.451 6.057 1.00 0.00 O ATOM 0 H GLU A 29 65.360 -3.274 3.906 1.00 0.00 H new ATOM 0 HA GLU A 29 66.800 -3.961 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 65.833 -6.298 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 29 65.056 -5.237 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 29 63.890 -4.164 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 29 64.458 -5.546 3.841 1.00 0.00 H new ATOM 509 N CYS A 30 68.115 -5.851 5.041 1.00 0.00 N ATOM 510 CA CYS A 30 69.178 -6.408 4.323 1.00 0.00 C ATOM 511 C CYS A 30 68.647 -7.311 3.300 1.00 0.00 C ATOM 512 O CYS A 30 67.899 -8.252 3.587 1.00 0.00 O ATOM 513 CB CYS A 30 70.150 -7.196 5.175 1.00 0.00 C ATOM 514 SG CYS A 30 71.632 -7.639 4.214 1.00 0.00 S ATOM 0 H CYS A 30 67.825 -6.396 5.853 1.00 0.00 H new ATOM 0 HA CYS A 30 69.724 -5.568 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 30 70.438 -6.608 6.046 1.00 0.00 H new ATOM 0 HB3 CYS A 30 69.667 -8.100 5.546 1.00 0.00 H new ATOM 0 HG CYS A 30 72.258 -8.612 4.806 1.00 0.00 H new ATOM 519 N VAL A 31 69.038 -7.035 2.134 1.00 0.00 N ATOM 520 CA VAL A 31 68.719 -7.791 0.970 1.00 0.00 C ATOM 521 C VAL A 31 69.162 -9.248 1.165 1.00 0.00 C ATOM 522 O VAL A 31 68.399 -10.180 0.960 1.00 0.00 O ATOM 523 CB VAL A 31 69.389 -7.073 -0.265 1.00 0.00 C ATOM 524 CG1 VAL A 31 70.740 -6.604 0.059 1.00 0.00 C ATOM 525 CG2 VAL A 31 69.464 -7.898 -1.500 1.00 0.00 C ATOM 0 H VAL A 31 69.628 -6.227 1.934 1.00 0.00 H new ATOM 0 HA VAL A 31 67.646 -7.833 0.785 1.00 0.00 H new ATOM 0 HB VAL A 31 68.724 -6.235 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.174 -6.114 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 31 70.691 -5.896 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 31 71.361 -7.453 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 31 69.939 -7.322 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 31 70.050 -8.796 -1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 31 68.458 -8.182 -1.810 1.00 0.00 H new ATOM 535 N TYR A 32 70.308 -9.384 1.722 1.00 0.00 N ATOM 536 CA TYR A 32 70.976 -10.639 1.879 1.00 0.00 C ATOM 537 C TYR A 32 70.617 -11.347 3.203 1.00 0.00 C ATOM 538 O TYR A 32 70.419 -12.563 3.211 1.00 0.00 O ATOM 539 CB TYR A 32 72.490 -10.411 1.787 1.00 0.00 C ATOM 540 CG TYR A 32 72.865 -9.592 0.572 1.00 0.00 C ATOM 541 CD1 TYR A 32 72.341 -9.912 -0.672 1.00 0.00 C ATOM 542 CD2 TYR A 32 73.689 -8.466 0.677 1.00 0.00 C ATOM 543 CE1 TYR A 32 72.622 -9.170 -1.775 1.00 0.00 C ATOM 544 CE2 TYR A 32 73.988 -7.690 -0.436 1.00 0.00 C ATOM 545 CZ TYR A 32 73.449 -8.052 -1.674 1.00 0.00 C ATOM 546 OH TYR A 32 73.729 -7.300 -2.803 1.00 0.00 O ATOM 0 H TYR A 32 70.835 -8.596 2.099 1.00 0.00 H new ATOM 0 HA TYR A 32 70.642 -11.299 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 32 72.836 -9.904 2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 32 73.000 -11.373 1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 32 71.694 -10.772 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 32 74.099 -8.196 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 32 72.204 -9.447 -2.732 1.00 0.00 H new ATOM 0 HE2 TYR A 32 74.625 -6.823 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 32 74.319 -6.555 -2.562 1.00 0.00 H new ATOM 556 N CYS A 33 70.511 -10.592 4.314 1.00 0.00 N ATOM 557 CA CYS A 33 70.287 -11.215 5.637 1.00 0.00 C ATOM 558 C CYS A 33 68.840 -11.164 6.074 1.00 0.00 C ATOM 559 O CYS A 33 68.431 -11.920 6.947 1.00 0.00 O ATOM 560 CB CYS A 33 71.111 -10.529 6.710 1.00 0.00 C ATOM 561 SG CYS A 33 72.882 -10.440 6.353 1.00 0.00 S ATOM 0 H CYS A 33 70.575 -9.574 4.326 1.00 0.00 H new ATOM 0 HA CYS A 33 70.588 -12.256 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 33 70.730 -9.517 6.851 1.00 0.00 H new ATOM 0 HB3 CYS A 33 70.969 -11.058 7.653 1.00 0.00 H new ATOM 0 HG CYS A 33 73.326 -9.255 6.652 1.00 0.00 H new ATOM 566 N LYS A 34 68.090 -10.249 5.489 1.00 0.00 N ATOM 567 CA LYS A 34 66.711 -9.976 5.825 1.00 0.00 C ATOM 568 C LYS A 34 66.564 -9.322 7.186 1.00 0.00 C ATOM 569 O LYS A 34 65.464 -9.206 7.718 1.00 0.00 O ATOM 570 CB LYS A 34 65.818 -11.191 5.663 1.00 0.00 C ATOM 571 CG LYS A 34 65.550 -11.594 4.222 1.00 0.00 C ATOM 572 CD LYS A 34 66.777 -11.982 3.418 1.00 0.00 C ATOM 573 CE LYS A 34 66.385 -12.487 2.042 1.00 0.00 C ATOM 574 NZ LYS A 34 65.607 -11.483 1.285 1.00 0.00 N ATOM 0 H LYS A 34 68.441 -9.654 4.738 1.00 0.00 H new ATOM 0 HA LYS A 34 66.360 -9.245 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 66.275 -12.033 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 34 64.865 -10.993 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 34 64.854 -12.433 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 65.052 -10.766 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 67.439 -11.122 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 34 67.335 -12.754 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 34 67.283 -12.747 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 34 65.797 -13.399 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 65.534 -11.778 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 64.654 -11.402 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 66.085 -10.561 1.338 1.00 0.00 H new ATOM 588 N GLN A 35 67.667 -8.870 7.732 1.00 0.00 N ATOM 589 CA GLN A 35 67.646 -8.135 8.937 1.00 0.00 C ATOM 590 C GLN A 35 67.466 -6.730 8.626 1.00 0.00 C ATOM 591 O GLN A 35 68.035 -6.225 7.705 1.00 0.00 O ATOM 592 CB GLN A 35 68.904 -8.294 9.713 1.00 0.00 C ATOM 593 CG GLN A 35 69.013 -9.596 10.419 1.00 0.00 C ATOM 594 CD GLN A 35 67.927 -9.780 11.444 1.00 0.00 C ATOM 595 OE1 GLN A 35 68.071 -9.375 12.586 1.00 0.00 O ATOM 596 NE2 GLN A 35 66.859 -10.414 11.059 1.00 0.00 N ATOM 0 H GLN A 35 68.598 -9.011 7.339 1.00 0.00 H new ATOM 0 HA GLN A 35 66.825 -8.515 9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 35 69.753 -8.186 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 35 68.973 -7.488 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 35 68.965 -10.407 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 35 69.986 -9.662 10.907 1.00 0.00 H new ATOM 0 HE21 GLN A 35 66.777 -10.737 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 35 66.103 -10.589 11.721 1.00 0.00 H new ATOM 605 N GLN A 36 66.712 -6.114 9.394 1.00 0.00 N ATOM 606 CA GLN A 36 66.393 -4.788 9.219 1.00 0.00 C ATOM 607 C GLN A 36 67.470 -3.942 9.725 1.00 0.00 C ATOM 608 O GLN A 36 67.901 -4.085 10.877 1.00 0.00 O ATOM 609 CB GLN A 36 65.092 -4.518 9.868 1.00 0.00 C ATOM 610 CG GLN A 36 63.961 -5.076 9.059 1.00 0.00 C ATOM 611 CD GLN A 36 62.638 -5.090 9.761 1.00 0.00 C ATOM 612 OE1 GLN A 36 62.559 -5.191 10.994 1.00 0.00 O ATOM 613 NE2 GLN A 36 61.591 -5.006 8.994 1.00 0.00 N ATOM 0 H GLN A 36 66.273 -6.540 10.210 1.00 0.00 H new ATOM 0 HA GLN A 36 66.289 -4.553 8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 36 65.081 -4.957 10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 36 64.960 -3.443 9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 36 63.865 -4.493 8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 64.211 -6.095 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 36 61.704 -4.924 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 36 60.657 -5.022 9.403 1.00 0.00 H new ATOM 622 N LEU A 37 67.958 -3.125 8.844 1.00 0.00 N ATOM 623 CA LEU A 37 69.006 -2.235 9.160 1.00 0.00 C ATOM 624 C LEU A 37 68.689 -1.328 10.299 1.00 0.00 C ATOM 625 O LEU A 37 67.595 -0.769 10.406 1.00 0.00 O ATOM 626 CB LEU A 37 69.464 -1.414 7.974 1.00 0.00 C ATOM 627 CG LEU A 37 70.561 -2.006 7.115 1.00 0.00 C ATOM 628 CD1 LEU A 37 70.058 -3.146 6.275 1.00 0.00 C ATOM 629 CD2 LEU A 37 71.231 -0.934 6.279 1.00 0.00 C ATOM 0 H LEU A 37 67.630 -3.065 7.880 1.00 0.00 H new ATOM 0 HA LEU A 37 69.824 -2.887 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 37 68.599 -1.225 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 37 69.806 -0.447 8.342 1.00 0.00 H new ATOM 0 HG LEU A 37 71.317 -2.422 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 37 70.876 -3.543 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 37 69.670 -3.932 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 37 69.263 -2.791 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 37 72.015 -1.384 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 37 70.492 -0.465 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 71.668 -0.181 6.935 1.00 0.00 H new ATOM 641 N LEU A 38 69.665 -1.217 11.149 1.00 0.00 N ATOM 642 CA LEU A 38 69.679 -0.310 12.227 1.00 0.00 C ATOM 643 C LEU A 38 69.700 1.040 11.561 1.00 0.00 C ATOM 644 O LEU A 38 70.451 1.196 10.611 1.00 0.00 O ATOM 645 CB LEU A 38 70.982 -0.538 12.958 1.00 0.00 C ATOM 646 CG LEU A 38 70.940 -0.605 14.467 1.00 0.00 C ATOM 647 CD1 LEU A 38 72.273 -1.100 14.975 1.00 0.00 C ATOM 648 CD2 LEU A 38 70.630 0.746 15.064 1.00 0.00 C ATOM 0 H LEU A 38 70.507 -1.790 11.096 1.00 0.00 H new ATOM 0 HA LEU A 38 68.846 -0.408 12.923 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.412 -1.471 12.593 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.668 0.261 12.677 1.00 0.00 H new ATOM 0 HG LEU A 38 70.148 -1.292 14.766 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.251 -1.151 16.064 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.472 -2.092 14.569 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.060 -0.415 14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 70.606 0.667 16.151 1.00 0.00 H new ATOM 0 HD22 LEU A 38 71.399 1.459 14.769 1.00 0.00 H new ATOM 0 HD23 LEU A 38 69.660 1.089 14.704 1.00 0.00 H new ATOM 660 N ARG A 39 68.868 1.975 11.982 1.00 0.00 N ATOM 661 CA ARG A 39 68.759 3.287 11.316 1.00 0.00 C ATOM 662 C ARG A 39 70.134 3.940 11.098 1.00 0.00 C ATOM 663 O ARG A 39 70.359 4.614 10.096 1.00 0.00 O ATOM 664 CB ARG A 39 67.849 4.202 12.101 1.00 0.00 C ATOM 665 CG ARG A 39 67.570 5.518 11.420 1.00 0.00 C ATOM 666 CD ARG A 39 66.595 6.328 12.231 1.00 0.00 C ATOM 667 NE ARG A 39 65.327 5.615 12.413 1.00 0.00 N ATOM 668 CZ ARG A 39 64.455 5.864 13.388 1.00 0.00 C ATOM 669 NH1 ARG A 39 64.647 6.894 14.202 1.00 0.00 N ATOM 670 NH2 ARG A 39 63.375 5.103 13.530 1.00 0.00 N ATOM 0 H ARG A 39 68.249 1.862 12.785 1.00 0.00 H new ATOM 0 HA ARG A 39 68.325 3.119 10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 39 66.904 3.690 12.282 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.298 4.396 13.075 1.00 0.00 H new ATOM 0 HG2 ARG A 39 68.499 6.074 11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 39 67.166 5.341 10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 39 67.030 6.555 13.205 1.00 0.00 H new ATOM 0 HD3 ARG A 39 66.410 7.281 11.735 1.00 0.00 H new ATOM 0 HE ARG A 39 65.097 4.878 11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 39 65.462 7.495 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 39 63.979 7.085 14.949 1.00 0.00 H new ATOM 0 HH21 ARG A 39 63.212 4.325 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 39 62.709 5.297 14.278 1.00 0.00 H new ATOM 684 N ARG A 40 71.047 3.673 12.016 1.00 0.00 N ATOM 685 CA ARG A 40 72.424 4.086 11.927 1.00 0.00 C ATOM 686 C ARG A 40 73.049 3.606 10.604 1.00 0.00 C ATOM 687 O ARG A 40 73.638 4.391 9.865 1.00 0.00 O ATOM 688 CB ARG A 40 73.175 3.463 13.089 1.00 0.00 C ATOM 689 CG ARG A 40 72.706 3.901 14.463 1.00 0.00 C ATOM 690 CD ARG A 40 72.916 5.382 14.662 1.00 0.00 C ATOM 691 NE ARG A 40 74.325 5.760 14.469 1.00 0.00 N ATOM 692 CZ ARG A 40 74.811 6.982 14.647 1.00 0.00 C ATOM 693 NH1 ARG A 40 74.033 7.942 15.136 1.00 0.00 N ATOM 694 NH2 ARG A 40 76.087 7.232 14.370 1.00 0.00 N ATOM 0 H ARG A 40 70.838 3.148 12.865 1.00 0.00 H new ATOM 0 HA ARG A 40 72.484 5.174 11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 40 73.087 2.379 13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 40 74.233 3.704 12.989 1.00 0.00 H new ATOM 0 HG2 ARG A 40 71.650 3.661 14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 40 73.248 3.347 15.229 1.00 0.00 H new ATOM 0 HD2 ARG A 40 72.291 5.936 13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 40 72.597 5.664 15.666 1.00 0.00 H new ATOM 0 HE ARG A 40 74.975 5.030 14.177 1.00 0.00 H new ATOM 0 HH11 ARG A 40 73.062 7.740 15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 40 74.407 8.881 15.273 1.00 0.00 H new ATOM 0 HH21 ARG A 40 76.689 6.486 14.022 1.00 0.00 H new ATOM 0 HH22 ARG A 40 76.464 8.170 14.506 1.00 0.00 H new ATOM 708 N GLU A 41 72.844 2.332 10.304 1.00 0.00 N ATOM 709 CA GLU A 41 73.387 1.672 9.114 1.00 0.00 C ATOM 710 C GLU A 41 72.645 2.170 7.880 1.00 0.00 C ATOM 711 O GLU A 41 73.204 2.246 6.786 1.00 0.00 O ATOM 712 CB GLU A 41 73.189 0.140 9.224 1.00 0.00 C ATOM 713 CG GLU A 41 73.581 -0.484 10.555 1.00 0.00 C ATOM 714 CD GLU A 41 74.920 -0.058 11.069 1.00 0.00 C ATOM 715 OE1 GLU A 41 75.917 -0.689 10.747 1.00 0.00 O ATOM 716 OE2 GLU A 41 74.981 0.878 11.870 1.00 0.00 O ATOM 0 H GLU A 41 72.285 1.711 10.889 1.00 0.00 H new ATOM 0 HA GLU A 41 74.450 1.901 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.140 -0.086 9.033 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.768 -0.340 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 72.824 -0.232 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.575 -1.569 10.449 1.00 0.00 H new ATOM 723 N VAL A 42 71.373 2.514 8.065 1.00 0.00 N ATOM 724 CA VAL A 42 70.565 3.017 6.970 1.00 0.00 C ATOM 725 C VAL A 42 71.115 4.388 6.544 1.00 0.00 C ATOM 726 O VAL A 42 71.176 4.694 5.370 1.00 0.00 O ATOM 727 CB VAL A 42 69.047 3.135 7.328 1.00 0.00 C ATOM 728 CG1 VAL A 42 68.220 3.268 6.068 1.00 0.00 C ATOM 729 CG2 VAL A 42 68.564 1.932 8.097 1.00 0.00 C ATOM 0 H VAL A 42 70.886 2.452 8.959 1.00 0.00 H new ATOM 0 HA VAL A 42 70.630 2.299 6.152 1.00 0.00 H new ATOM 0 HB VAL A 42 68.930 4.022 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 42 67.166 3.349 6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 42 68.528 4.161 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 42 68.370 2.390 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 42 67.505 2.049 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 68.707 1.034 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 42 69.130 1.841 9.024 1.00 0.00 H new ATOM 739 N TYR A 43 71.548 5.202 7.517 1.00 0.00 N ATOM 740 CA TYR A 43 72.194 6.478 7.198 1.00 0.00 C ATOM 741 C TYR A 43 73.451 6.272 6.404 1.00 0.00 C ATOM 742 O TYR A 43 73.685 6.986 5.438 1.00 0.00 O ATOM 743 CB TYR A 43 72.513 7.303 8.442 1.00 0.00 C ATOM 744 CG TYR A 43 71.297 7.775 9.149 1.00 0.00 C ATOM 745 CD1 TYR A 43 70.305 8.411 8.454 1.00 0.00 C ATOM 746 CD2 TYR A 43 71.121 7.564 10.503 1.00 0.00 C ATOM 747 CE1 TYR A 43 69.170 8.819 9.066 1.00 0.00 C ATOM 748 CE2 TYR A 43 69.975 7.983 11.131 1.00 0.00 C ATOM 749 CZ TYR A 43 68.998 8.611 10.394 1.00 0.00 C ATOM 750 OH TYR A 43 67.833 9.029 10.986 1.00 0.00 O ATOM 0 H TYR A 43 71.464 5.003 8.514 1.00 0.00 H new ATOM 0 HA TYR A 43 71.473 7.034 6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 43 73.115 6.703 9.125 1.00 0.00 H new ATOM 0 HB3 TYR A 43 73.118 8.163 8.156 1.00 0.00 H new ATOM 0 HD1 TYR A 43 70.431 8.591 7.396 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.892 7.065 11.072 1.00 0.00 H new ATOM 0 HE1 TYR A 43 68.398 9.312 8.494 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.842 7.822 12.191 1.00 0.00 H new ATOM 0 HH TYR A 43 67.305 9.544 10.341 1.00 0.00 H new ATOM 760 N ASP A 44 74.220 5.256 6.772 1.00 0.00 N ATOM 761 CA ASP A 44 75.488 4.928 6.134 1.00 0.00 C ATOM 762 C ASP A 44 75.329 4.747 4.671 1.00 0.00 C ATOM 763 O ASP A 44 76.189 5.097 3.896 1.00 0.00 O ATOM 764 CB ASP A 44 76.044 3.639 6.691 1.00 0.00 C ATOM 765 CG ASP A 44 76.474 3.738 8.142 1.00 0.00 C ATOM 766 OD1 ASP A 44 76.797 4.851 8.614 1.00 0.00 O ATOM 767 OD2 ASP A 44 76.567 2.705 8.823 1.00 0.00 O ATOM 0 H ASP A 44 73.976 4.626 7.536 1.00 0.00 H new ATOM 0 HA ASP A 44 76.164 5.760 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 44 75.290 2.858 6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 44 76.898 3.331 6.088 1.00 0.00 H new ATOM 772 N PHE A 45 74.221 4.225 4.314 1.00 0.00 N ATOM 773 CA PHE A 45 73.897 3.915 2.974 1.00 0.00 C ATOM 774 C PHE A 45 73.887 5.186 2.079 1.00 0.00 C ATOM 775 O PHE A 45 74.464 5.195 0.980 1.00 0.00 O ATOM 776 CB PHE A 45 72.557 3.281 2.997 1.00 0.00 C ATOM 777 CG PHE A 45 72.356 2.298 1.966 1.00 0.00 C ATOM 778 CD1 PHE A 45 72.823 1.002 2.133 1.00 0.00 C ATOM 779 CD2 PHE A 45 71.682 2.635 0.835 1.00 0.00 C ATOM 780 CE1 PHE A 45 72.589 0.077 1.143 1.00 0.00 C ATOM 781 CE2 PHE A 45 71.448 1.724 -0.129 1.00 0.00 C ATOM 782 CZ PHE A 45 71.889 0.446 0.014 1.00 0.00 C ATOM 0 H PHE A 45 73.480 3.991 4.975 1.00 0.00 H new ATOM 0 HA PHE A 45 74.645 3.246 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 45 72.406 2.810 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 45 71.798 4.057 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 45 73.362 0.724 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 45 71.329 3.648 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 45 72.952 -0.935 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 45 70.908 2.010 -1.019 1.00 0.00 H new ATOM 0 HZ PHE A 45 71.691 -0.282 -0.759 1.00 0.00 H new ATOM 792 N ALA A 46 73.243 6.251 2.557 1.00 0.00 N ATOM 793 CA ALA A 46 73.205 7.519 1.817 1.00 0.00 C ATOM 794 C ALA A 46 74.447 8.347 2.123 1.00 0.00 C ATOM 795 O ALA A 46 74.859 9.188 1.330 1.00 0.00 O ATOM 796 CB ALA A 46 71.946 8.328 2.147 1.00 0.00 C ATOM 0 H ALA A 46 72.743 6.265 3.446 1.00 0.00 H new ATOM 0 HA ALA A 46 73.183 7.279 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 71.953 9.259 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 46 71.061 7.749 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 71.927 8.552 3.214 1.00 0.00 H new ATOM 802 N ARG A 47 75.043 8.097 3.280 1.00 0.00 N ATOM 803 CA ARG A 47 76.228 8.824 3.733 1.00 0.00 C ATOM 804 C ARG A 47 77.485 8.349 3.018 1.00 0.00 C ATOM 805 O ARG A 47 78.516 9.033 3.012 1.00 0.00 O ATOM 806 CB ARG A 47 76.354 8.743 5.273 1.00 0.00 C ATOM 807 CG ARG A 47 75.633 9.872 6.030 1.00 0.00 C ATOM 808 CD ARG A 47 74.177 9.992 5.611 1.00 0.00 C ATOM 809 NE ARG A 47 73.452 11.035 6.329 1.00 0.00 N ATOM 810 CZ ARG A 47 72.551 11.859 5.768 1.00 0.00 C ATOM 811 NH1 ARG A 47 72.391 11.888 4.446 1.00 0.00 N ATOM 812 NH2 ARG A 47 71.832 12.674 6.520 1.00 0.00 N ATOM 0 H ARG A 47 74.721 7.384 3.934 1.00 0.00 H new ATOM 0 HA ARG A 47 76.110 9.875 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.956 7.785 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 47 77.411 8.760 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 47 75.688 9.684 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.143 10.817 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.130 10.197 4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 47 73.680 9.036 5.774 1.00 0.00 H new ATOM 0 HE ARG A 47 73.642 11.146 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.955 11.281 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 47 71.705 12.517 4.029 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.960 12.680 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.150 13.297 6.088 1.00 0.00 H new ATOM 826 N ARG A 48 77.386 7.196 2.418 1.00 0.00 N ATOM 827 CA ARG A 48 78.431 6.624 1.626 1.00 0.00 C ATOM 828 C ARG A 48 77.942 6.546 0.186 1.00 0.00 C ATOM 829 O ARG A 48 76.994 7.248 -0.184 1.00 0.00 O ATOM 830 CB ARG A 48 78.728 5.254 2.144 1.00 0.00 C ATOM 831 CG ARG A 48 79.353 5.202 3.507 1.00 0.00 C ATOM 832 CD ARG A 48 79.357 3.773 3.979 1.00 0.00 C ATOM 833 NE ARG A 48 80.142 3.587 5.213 1.00 0.00 N ATOM 834 CZ ARG A 48 79.881 2.713 6.211 1.00 0.00 C ATOM 835 NH1 ARG A 48 78.811 1.922 6.171 1.00 0.00 N ATOM 836 NH2 ARG A 48 80.703 2.633 7.237 1.00 0.00 N ATOM 0 H ARG A 48 76.550 6.614 2.470 1.00 0.00 H new ATOM 0 HA ARG A 48 79.337 7.228 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 48 77.799 4.684 2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 48 79.392 4.754 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 48 80.370 5.592 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 48 78.796 5.829 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 48 78.331 3.449 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 48 79.764 3.136 3.194 1.00 0.00 H new ATOM 0 HE ARG A 48 80.966 4.178 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 48 78.171 1.969 5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 48 78.631 1.269 6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 48 81.530 3.228 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 48 80.512 1.976 7.993 1.00 0.00 H new ATOM 850 N ASP A 49 78.542 5.691 -0.613 1.00 0.00 N ATOM 851 CA ASP A 49 78.175 5.581 -2.011 1.00 0.00 C ATOM 852 C ASP A 49 77.654 4.211 -2.336 1.00 0.00 C ATOM 853 O ASP A 49 78.399 3.339 -2.824 1.00 0.00 O ATOM 854 CB ASP A 49 79.330 5.931 -2.954 1.00 0.00 C ATOM 855 CG ASP A 49 79.623 7.399 -3.048 1.00 0.00 C ATOM 856 OD1 ASP A 49 80.244 7.959 -2.119 1.00 0.00 O ATOM 857 OD2 ASP A 49 79.248 8.027 -4.068 1.00 0.00 O ATOM 0 H ASP A 49 79.288 5.060 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 49 77.382 6.312 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 49 80.228 5.413 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 49 79.098 5.554 -3.950 1.00 0.00 H new ATOM 862 N LEU A 50 76.436 3.963 -1.942 1.00 0.00 N ATOM 863 CA LEU A 50 75.779 2.742 -2.255 1.00 0.00 C ATOM 864 C LEU A 50 74.523 2.981 -3.051 1.00 0.00 C ATOM 865 O LEU A 50 74.075 4.126 -3.231 1.00 0.00 O ATOM 866 CB LEU A 50 75.397 1.987 -0.996 1.00 0.00 C ATOM 867 CG LEU A 50 76.534 1.589 -0.100 1.00 0.00 C ATOM 868 CD1 LEU A 50 77.017 2.725 0.745 1.00 0.00 C ATOM 869 CD2 LEU A 50 76.179 0.428 0.712 1.00 0.00 C ATOM 0 H LEU A 50 75.874 4.612 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 50 76.483 2.155 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 50 74.706 2.604 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 74.856 1.086 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 50 77.367 1.307 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 77.839 2.386 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 50 77.362 3.535 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 50 76.202 3.083 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 50 77.020 0.161 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 50 75.314 0.667 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 75.938 -0.412 0.060 1.00 0.00 H new ATOM 881 N CYS A 51 73.953 1.917 -3.501 1.00 0.00 N ATOM 882 CA CYS A 51 72.697 1.936 -4.160 1.00 0.00 C ATOM 883 C CYS A 51 71.888 0.817 -3.566 1.00 0.00 C ATOM 884 O CYS A 51 72.464 -0.120 -2.995 1.00 0.00 O ATOM 885 CB CYS A 51 72.864 1.748 -5.664 1.00 0.00 C ATOM 886 SG CYS A 51 73.618 0.178 -6.143 1.00 0.00 S ATOM 0 H CYS A 51 74.360 0.986 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 51 72.199 2.896 -4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 51 71.886 1.826 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 51 73.473 2.563 -6.054 1.00 0.00 H new ATOM 0 HG CYS A 51 73.712 0.119 -7.438 1.00 0.00 H new ATOM 892 N ILE A 52 70.608 0.898 -3.676 1.00 0.00 N ATOM 893 CA ILE A 52 69.746 -0.077 -3.091 1.00 0.00 C ATOM 894 C ILE A 52 69.637 -1.291 -3.912 1.00 0.00 C ATOM 895 O ILE A 52 69.646 -1.258 -5.146 1.00 0.00 O ATOM 896 CB ILE A 52 68.376 0.519 -2.772 1.00 0.00 C ATOM 897 CG1 ILE A 52 68.574 1.403 -1.609 1.00 0.00 C ATOM 898 CG2 ILE A 52 67.282 -0.527 -2.492 1.00 0.00 C ATOM 899 CD1 ILE A 52 67.358 1.889 -1.051 1.00 0.00 C ATOM 0 H ILE A 52 70.124 1.644 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 52 70.201 -0.384 -2.149 1.00 0.00 H new ATOM 0 HB ILE A 52 68.009 1.058 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 52 69.126 0.861 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 52 69.191 2.250 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 52 66.342 -0.021 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 52 67.157 -1.165 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 52 67.572 -1.137 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 52 67.580 2.532 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 52 66.814 2.459 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 52 66.748 1.048 -0.721 1.00 0.00 H new ATOM 911 N VAL A 53 69.560 -2.344 -3.214 1.00 0.00 N ATOM 912 CA VAL A 53 69.496 -3.619 -3.725 1.00 0.00 C ATOM 913 C VAL A 53 68.204 -4.262 -3.280 1.00 0.00 C ATOM 914 O VAL A 53 67.893 -4.380 -2.087 1.00 0.00 O ATOM 915 CB VAL A 53 70.735 -4.423 -3.286 1.00 0.00 C ATOM 916 CG1 VAL A 53 71.907 -4.089 -4.201 1.00 0.00 C ATOM 917 CG2 VAL A 53 71.102 -4.023 -1.862 1.00 0.00 C ATOM 0 H VAL A 53 69.539 -2.323 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 53 69.502 -3.596 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 53 70.516 -5.490 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 72.784 -4.657 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 71.652 -4.348 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 53 72.125 -3.023 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 53 71.978 -4.586 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 53 71.324 -2.956 -1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 53 70.267 -4.240 -1.196 1.00 0.00 H new ATOM 927 N TYR A 54 67.424 -4.572 -4.226 1.00 0.00 N ATOM 928 CA TYR A 54 66.201 -5.212 -4.012 1.00 0.00 C ATOM 929 C TYR A 54 66.406 -6.648 -4.132 1.00 0.00 C ATOM 930 O TYR A 54 66.868 -7.142 -5.165 1.00 0.00 O ATOM 931 CB TYR A 54 65.181 -4.748 -5.035 1.00 0.00 C ATOM 932 CG TYR A 54 64.792 -3.325 -4.849 1.00 0.00 C ATOM 933 CD1 TYR A 54 65.632 -2.292 -5.216 1.00 0.00 C ATOM 934 CD2 TYR A 54 63.593 -3.010 -4.279 1.00 0.00 C ATOM 935 CE1 TYR A 54 65.265 -0.995 -5.007 1.00 0.00 C ATOM 936 CE2 TYR A 54 63.236 -1.737 -4.072 1.00 0.00 C ATOM 937 CZ TYR A 54 64.072 -0.727 -4.432 1.00 0.00 C ATOM 938 OH TYR A 54 63.713 0.568 -4.205 1.00 0.00 O ATOM 0 H TYR A 54 67.626 -4.381 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 54 65.825 -4.969 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 54 65.590 -4.881 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 54 64.292 -5.376 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 54 66.586 -2.513 -5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 54 62.919 -3.803 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 54 65.922 -0.189 -5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 54 62.282 -1.512 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 54 64.048 1.133 -4.933 1.00 0.00 H new ATOM 948 N ARG A 55 66.101 -7.331 -3.096 1.00 0.00 N ATOM 949 CA ARG A 55 66.246 -8.747 -3.164 1.00 0.00 C ATOM 950 C ARG A 55 64.917 -9.213 -3.695 1.00 0.00 C ATOM 951 O ARG A 55 63.886 -9.015 -3.010 1.00 0.00 O ATOM 952 CB ARG A 55 66.509 -9.412 -1.807 1.00 0.00 C ATOM 953 CG ARG A 55 67.616 -10.535 -1.814 1.00 0.00 C ATOM 954 CD ARG A 55 67.372 -11.630 -2.847 1.00 0.00 C ATOM 955 NE ARG A 55 67.926 -11.239 -4.159 1.00 0.00 N ATOM 956 CZ ARG A 55 67.576 -11.724 -5.356 1.00 0.00 C ATOM 957 NH1 ARG A 55 66.507 -12.507 -5.495 1.00 0.00 N ATOM 958 NH2 ARG A 55 68.280 -11.368 -6.422 1.00 0.00 N ATOM 0 H ARG A 55 65.759 -6.955 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 55 67.107 -9.012 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 55 66.800 -8.642 -1.093 1.00 0.00 H new ATOM 0 HB3 ARG A 55 65.576 -9.845 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 55 68.586 -10.076 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 55 67.668 -10.987 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 55 67.832 -12.560 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 55 66.302 -11.819 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 55 68.653 -10.523 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 55 65.940 -12.746 -4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 55 66.255 -12.868 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 55 69.073 -10.735 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 55 68.028 -11.728 -7.343 1.00 0.00 H new ATOM 972 N ASP A 56 64.907 -9.700 -4.925 1.00 0.00 N ATOM 973 CA ASP A 56 63.684 -10.116 -5.625 1.00 0.00 C ATOM 974 C ASP A 56 62.881 -8.898 -6.037 1.00 0.00 C ATOM 975 O ASP A 56 62.935 -8.479 -7.193 1.00 0.00 O ATOM 976 CB ASP A 56 62.822 -11.123 -4.834 1.00 0.00 C ATOM 977 CG ASP A 56 63.428 -12.509 -4.739 1.00 0.00 C ATOM 978 OD1 ASP A 56 64.210 -12.789 -3.792 1.00 0.00 O ATOM 979 OD2 ASP A 56 63.135 -13.355 -5.600 1.00 0.00 O ATOM 0 H ASP A 56 65.754 -9.822 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 56 64.002 -10.656 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 56 62.662 -10.737 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 56 61.842 -11.197 -5.306 1.00 0.00 H new ATOM 984 N GLY A 57 62.182 -8.302 -5.096 1.00 0.00 N ATOM 985 CA GLY A 57 61.457 -7.103 -5.387 1.00 0.00 C ATOM 986 C GLY A 57 61.129 -6.308 -4.155 1.00 0.00 C ATOM 987 O GLY A 57 60.152 -5.572 -4.123 1.00 0.00 O ATOM 0 H GLY A 57 62.106 -8.631 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 57 62.043 -6.485 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 57 60.533 -7.359 -5.905 1.00 0.00 H new ATOM 991 N ASN A 58 61.950 -6.431 -3.145 1.00 0.00 N ATOM 992 CA ASN A 58 61.710 -5.733 -1.887 1.00 0.00 C ATOM 993 C ASN A 58 62.889 -4.853 -1.653 1.00 0.00 C ATOM 994 O ASN A 58 63.998 -5.240 -2.017 1.00 0.00 O ATOM 995 CB ASN A 58 61.611 -6.716 -0.726 1.00 0.00 C ATOM 996 CG ASN A 58 60.755 -7.921 -0.995 1.00 0.00 C ATOM 997 OD1 ASN A 58 59.559 -7.938 -0.698 1.00 0.00 O ATOM 998 ND2 ASN A 58 61.359 -8.937 -1.588 1.00 0.00 N ATOM 0 H ASN A 58 62.793 -7.005 -3.158 1.00 0.00 H new ATOM 0 HA ASN A 58 60.776 -5.175 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.615 -7.051 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 58 61.214 -6.192 0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 58 60.832 -9.780 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 58 62.352 -8.878 -1.815 1.00 0.00 H new ATOM 1005 N PRO A 59 62.708 -3.652 -1.101 1.00 0.00 N ATOM 1006 CA PRO A 59 63.810 -2.736 -0.903 1.00 0.00 C ATOM 1007 C PRO A 59 64.672 -2.988 0.350 1.00 0.00 C ATOM 1008 O PRO A 59 64.245 -2.975 1.610 1.00 0.00 O ATOM 1009 CB PRO A 59 63.155 -1.349 -0.886 1.00 0.00 C ATOM 1010 CG PRO A 59 61.677 -1.594 -1.089 1.00 0.00 C ATOM 1011 CD PRO A 59 61.438 -3.027 -0.704 1.00 0.00 C ATOM 0 HA PRO A 59 64.542 -2.861 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 59 63.341 -0.839 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 59 63.559 -0.715 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 59 61.082 -0.920 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 59 61.391 -1.415 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 59 61.242 -3.138 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 59 60.587 -3.457 -1.231 1.00 0.00 H new ATOM 1019 N TYR A 60 65.882 -3.178 0.081 1.00 0.00 N ATOM 1020 CA TYR A 60 66.707 -3.404 1.096 1.00 0.00 C ATOM 1021 C TYR A 60 67.929 -2.626 0.889 1.00 0.00 C ATOM 1022 O TYR A 60 68.317 -2.266 -0.230 1.00 0.00 O ATOM 1023 CB TYR A 60 67.086 -4.842 1.223 1.00 0.00 C ATOM 1024 CG TYR A 60 66.058 -5.903 1.266 1.00 0.00 C ATOM 1025 CD1 TYR A 60 65.575 -6.449 0.125 1.00 0.00 C ATOM 1026 CD2 TYR A 60 65.687 -6.417 2.425 1.00 0.00 C ATOM 1027 CE1 TYR A 60 64.700 -7.498 0.151 1.00 0.00 C ATOM 1028 CE2 TYR A 60 64.824 -7.492 2.498 1.00 0.00 C ATOM 1029 CZ TYR A 60 64.331 -8.023 1.348 1.00 0.00 C ATOM 1030 OH TYR A 60 63.495 -9.105 1.392 1.00 0.00 O ATOM 0 H TYR A 60 66.298 -3.176 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 60 66.187 -3.113 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 60 67.746 -5.072 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 60 67.679 -4.936 2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 60 65.888 -6.046 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 60 66.068 -5.985 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 60 64.307 -7.905 -0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 60 64.544 -7.905 3.456 1.00 0.00 H new ATOM 0 HH TYR A 60 63.332 -9.355 2.326 1.00 0.00 H new ATOM 1040 N ALA A 61 68.496 -2.378 1.930 1.00 0.00 N ATOM 1041 CA ALA A 61 69.706 -1.798 2.026 1.00 0.00 C ATOM 1042 C ALA A 61 70.706 -2.934 2.152 1.00 0.00 C ATOM 1043 O ALA A 61 70.391 -4.101 1.882 1.00 0.00 O ATOM 1044 CB ALA A 61 69.695 -1.014 3.268 1.00 0.00 C ATOM 0 H ALA A 61 68.087 -2.596 2.839 1.00 0.00 H new ATOM 0 HA ALA A 61 69.952 -1.159 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.658 -0.520 3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 61 68.906 -0.263 3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.512 -1.676 4.114 1.00 0.00 H new ATOM 1050 N VAL A 62 71.846 -2.621 2.582 1.00 0.00 N ATOM 1051 CA VAL A 62 72.878 -3.562 2.773 1.00 0.00 C ATOM 1052 C VAL A 62 73.349 -3.381 4.211 1.00 0.00 C ATOM 1053 O VAL A 62 73.834 -2.306 4.564 1.00 0.00 O ATOM 1054 CB VAL A 62 73.995 -3.294 1.715 1.00 0.00 C ATOM 1055 CG1 VAL A 62 75.256 -4.007 2.004 1.00 0.00 C ATOM 1056 CG2 VAL A 62 73.507 -3.609 0.309 1.00 0.00 C ATOM 0 H VAL A 62 72.110 -1.666 2.824 1.00 0.00 H new ATOM 0 HA VAL A 62 72.563 -4.596 2.632 1.00 0.00 H new ATOM 0 HB VAL A 62 74.220 -2.229 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 62 75.989 -3.777 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 62 75.639 -3.690 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 62 75.071 -5.081 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 62 74.306 -3.413 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 62 73.218 -4.658 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 62 72.647 -2.982 0.073 1.00 0.00 H new ATOM 1066 N CYS A 63 73.079 -4.391 5.067 1.00 0.00 N ATOM 1067 CA CYS A 63 73.393 -4.291 6.504 1.00 0.00 C ATOM 1068 C CYS A 63 74.896 -4.134 6.792 1.00 0.00 C ATOM 1069 O CYS A 63 75.709 -4.294 5.916 1.00 0.00 O ATOM 1070 CB CYS A 63 72.846 -5.497 7.249 1.00 0.00 C ATOM 1071 SG CYS A 63 73.909 -6.980 7.224 1.00 0.00 S ATOM 0 H CYS A 63 72.649 -5.274 4.790 1.00 0.00 H new ATOM 0 HA CYS A 63 72.909 -3.381 6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 63 72.671 -5.213 8.287 1.00 0.00 H new ATOM 0 HB3 CYS A 63 71.877 -5.758 6.823 1.00 0.00 H new ATOM 0 HG CYS A 63 74.995 -6.724 6.556 1.00 0.00 H new ATOM 1076 N ASP A 64 75.232 -3.900 8.071 1.00 0.00 N ATOM 1077 CA ASP A 64 76.634 -3.697 8.543 1.00 0.00 C ATOM 1078 C ASP A 64 77.551 -4.810 8.113 1.00 0.00 C ATOM 1079 O ASP A 64 78.678 -4.578 7.652 1.00 0.00 O ATOM 1080 CB ASP A 64 76.684 -3.623 10.059 1.00 0.00 C ATOM 1081 CG ASP A 64 78.114 -3.597 10.610 1.00 0.00 C ATOM 1082 OD1 ASP A 64 78.845 -2.603 10.423 1.00 0.00 O ATOM 1083 OD2 ASP A 64 78.529 -4.580 11.246 1.00 0.00 O ATOM 0 H ASP A 64 74.542 -3.844 8.821 1.00 0.00 H new ATOM 0 HA ASP A 64 76.970 -2.762 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 64 76.156 -2.729 10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 64 76.155 -4.480 10.477 1.00 0.00 H new ATOM 1088 N LYS A 65 77.075 -6.008 8.267 1.00 0.00 N ATOM 1089 CA LYS A 65 77.829 -7.182 7.921 1.00 0.00 C ATOM 1090 C LYS A 65 78.132 -7.191 6.455 1.00 0.00 C ATOM 1091 O LYS A 65 79.274 -7.372 6.035 1.00 0.00 O ATOM 1092 CB LYS A 65 77.066 -8.405 8.323 1.00 0.00 C ATOM 1093 CG LYS A 65 76.857 -8.466 9.792 1.00 0.00 C ATOM 1094 CD LYS A 65 78.153 -8.574 10.565 1.00 0.00 C ATOM 1095 CE LYS A 65 77.890 -8.344 12.019 1.00 0.00 C ATOM 1096 NZ LYS A 65 76.982 -9.347 12.613 1.00 0.00 N ATOM 0 H LYS A 65 76.146 -6.204 8.639 1.00 0.00 H new ATOM 0 HA LYS A 65 78.778 -7.174 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 65 76.100 -8.413 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 65 77.605 -9.294 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 65 76.320 -7.574 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 65 76.225 -9.322 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 65 78.596 -9.559 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 65 78.871 -7.842 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 65 78.837 -8.356 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 65 77.460 -7.351 12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 76.946 -9.215 13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 76.028 -9.230 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 77.332 -10.302 12.398 1.00 0.00 H new