USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 433 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 39 SER OG : rot -61:sc= 0.00906 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.312) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= -2.03! USER MOD Set 2.2: A 24 ASN : amide:sc= -1.43! C(o=-5.5!,f=-12!) USER MOD Set 2.3: A 46 ASN :FLIP amide:sc= -2.07 F(o=-7.4,f=-5.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0958 USER MOD Single : A 15 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 17 ASN : amide:sc= -35.5! C(o=-36!,f=-43!) USER MOD Single : A 20 SER OG : rot -71:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= -1.62! C(o=-1.6!,f=-7.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.324 (180deg=-1.66!) USER MOD Single : A 33 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.045) USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 57 THR OG1 : rot -75:sc= -4.61! USER MOD Single : A 61 THR OG1 : rot -61:sc= -0.0422! USER MOD Single : A 63 MET CE :methyl -138:sc= -5.76! (180deg=-9.42!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 6.101 -2.208 9.047 1.00 0.00 N ATOM 105 CA GLU A 8 6.244 -0.842 8.559 1.00 0.00 C ATOM 106 C GLU A 8 4.890 -0.252 8.184 1.00 0.00 C ATOM 107 O GLU A 8 4.401 -0.453 7.072 1.00 0.00 O ATOM 108 CB GLU A 8 7.181 -0.804 7.351 1.00 0.00 C ATOM 109 CG GLU A 8 8.101 0.405 7.337 1.00 0.00 C ATOM 110 CD GLU A 8 8.457 0.850 5.934 1.00 0.00 C ATOM 111 OE1 GLU A 8 7.616 1.509 5.288 1.00 0.00 O ATOM 112 OE2 GLU A 8 9.580 0.540 5.479 1.00 0.00 O ATOM 0 HA GLU A 8 6.672 -0.241 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.785 -1.711 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.585 -0.808 6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.620 1.229 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.015 0.168 7.882 1.00 0.00 H new ATOM 119 N LYS A 9 4.288 0.480 9.116 1.00 0.00 N ATOM 120 CA LYS A 9 2.993 1.100 8.874 1.00 0.00 C ATOM 121 C LYS A 9 3.159 2.551 8.435 1.00 0.00 C ATOM 122 O LYS A 9 4.006 3.277 8.954 1.00 0.00 O ATOM 123 CB LYS A 9 2.112 1.027 10.128 1.00 0.00 C ATOM 124 CG LYS A 9 1.020 2.087 10.169 1.00 0.00 C ATOM 125 CD LYS A 9 1.303 3.159 11.212 1.00 0.00 C ATOM 126 CE LYS A 9 2.725 3.687 11.114 1.00 0.00 C ATOM 127 NZ LYS A 9 3.141 4.394 12.356 1.00 0.00 N ATOM 0 H LYS A 9 4.676 0.657 10.043 1.00 0.00 H new ATOM 0 HA LYS A 9 2.504 0.548 8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.651 0.041 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.742 1.132 11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.929 2.552 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.063 1.613 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.601 3.983 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.136 2.749 12.208 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.407 2.859 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.802 4.367 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.116 4.739 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.506 5.200 12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.092 3.738 13.162 1.00 0.00 H new ATOM 141 N LYS A 10 2.343 2.961 7.472 1.00 0.00 N ATOM 142 CA LYS A 10 2.378 4.319 6.952 1.00 0.00 C ATOM 143 C LYS A 10 1.000 4.726 6.452 1.00 0.00 C ATOM 144 O LYS A 10 0.015 4.028 6.688 1.00 0.00 O ATOM 145 CB LYS A 10 3.401 4.431 5.819 1.00 0.00 C ATOM 146 CG LYS A 10 4.297 5.654 5.920 1.00 0.00 C ATOM 147 CD LYS A 10 4.819 5.853 7.335 1.00 0.00 C ATOM 148 CE LYS A 10 6.340 5.875 7.368 1.00 0.00 C ATOM 149 NZ LYS A 10 6.860 6.739 8.464 1.00 0.00 N ATOM 0 H LYS A 10 1.642 2.364 7.032 1.00 0.00 H new ATOM 0 HA LYS A 10 2.674 4.991 7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.023 3.536 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.872 4.457 4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.137 5.547 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.742 6.539 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.431 6.788 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.451 5.052 7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.715 4.860 7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.719 6.235 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.900 6.727 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.524 7.714 8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.520 6.381 9.379 1.00 0.00 H new ATOM 163 N GLU A 11 0.935 5.849 5.749 1.00 0.00 N ATOM 164 CA GLU A 11 -0.329 6.329 5.210 1.00 0.00 C ATOM 165 C GLU A 11 -0.598 5.703 3.847 1.00 0.00 C ATOM 166 O GLU A 11 0.257 5.735 2.960 1.00 0.00 O ATOM 167 CB GLU A 11 -0.319 7.853 5.092 1.00 0.00 C ATOM 168 CG GLU A 11 0.719 8.527 5.972 1.00 0.00 C ATOM 169 CD GLU A 11 0.225 9.832 6.564 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.645 10.475 5.939 1.00 0.00 O ATOM 171 OE2 GLU A 11 0.706 10.212 7.652 1.00 0.00 O ATOM 0 H GLU A 11 1.739 6.441 5.540 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.125 6.037 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.135 8.127 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.306 8.235 5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.000 7.850 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.619 8.716 5.386 1.00 0.00 H new ATOM 178 N CYS A 12 -1.787 5.133 3.685 1.00 0.00 N ATOM 179 CA CYS A 12 -2.157 4.504 2.425 1.00 0.00 C ATOM 180 C CYS A 12 -2.523 5.565 1.397 1.00 0.00 C ATOM 181 O CYS A 12 -2.790 6.713 1.749 1.00 0.00 O ATOM 182 CB CYS A 12 -3.325 3.540 2.632 1.00 0.00 C ATOM 183 SG CYS A 12 -3.911 2.741 1.104 1.00 0.00 S ATOM 0 H CYS A 12 -2.507 5.094 4.407 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.303 3.937 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.024 2.768 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.154 4.083 3.086 1.00 0.00 H new ATOM 188 N TYR A 13 -2.517 5.187 0.126 1.00 0.00 N ATOM 189 CA TYR A 13 -2.838 6.128 -0.938 1.00 0.00 C ATOM 190 C TYR A 13 -3.596 5.452 -2.074 1.00 0.00 C ATOM 191 O TYR A 13 -2.999 4.763 -2.902 1.00 0.00 O ATOM 192 CB TYR A 13 -1.559 6.753 -1.496 1.00 0.00 C ATOM 193 CG TYR A 13 -1.028 7.919 -0.699 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.561 7.760 0.598 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.972 9.180 -1.266 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.059 8.832 1.309 1.00 0.00 C ATOM 197 CE2 TYR A 13 -0.473 10.256 -0.568 1.00 0.00 C ATOM 198 CZ TYR A 13 -0.019 10.080 0.722 1.00 0.00 C ATOM 199 OH TYR A 13 0.475 11.153 1.425 1.00 0.00 O ATOM 0 H TYR A 13 -2.295 4.243 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.473 6.901 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.788 5.984 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.748 7.084 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.591 6.783 1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.327 9.323 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.300 8.694 2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.437 11.233 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 13 0.433 11.957 0.867 1.00 0.00 H new ATOM 209 N TYR A 14 -4.905 5.671 -2.131 1.00 0.00 N ATOM 210 CA TYR A 14 -5.716 5.095 -3.194 1.00 0.00 C ATOM 211 C TYR A 14 -5.456 5.853 -4.491 1.00 0.00 C ATOM 212 O TYR A 14 -5.321 5.251 -5.554 1.00 0.00 O ATOM 213 CB TYR A 14 -7.194 5.139 -2.827 1.00 0.00 C ATOM 214 CG TYR A 14 -7.593 4.108 -1.795 1.00 0.00 C ATOM 215 CD1 TYR A 14 -7.736 2.767 -2.138 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.830 4.476 -0.477 1.00 0.00 C ATOM 217 CE1 TYR A 14 -8.104 1.826 -1.195 1.00 0.00 C ATOM 218 CE2 TYR A 14 -8.198 3.540 0.471 1.00 0.00 C ATOM 219 CZ TYR A 14 -8.333 2.218 0.107 1.00 0.00 C ATOM 220 OH TYR A 14 -8.699 1.283 1.049 1.00 0.00 O ATOM 0 H TYR A 14 -5.422 6.238 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.441 4.049 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.436 6.132 -2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.788 4.987 -3.728 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.557 2.457 -3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.725 5.511 -0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.212 0.789 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.379 3.843 1.492 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.821 1.723 1.916 1.00 0.00 H new ATOM 230 N ASN A 15 -5.338 7.178 -4.387 1.00 0.00 N ATOM 231 CA ASN A 15 -5.030 7.997 -5.552 1.00 0.00 C ATOM 232 C ASN A 15 -3.606 7.662 -5.970 1.00 0.00 C ATOM 233 O ASN A 15 -3.354 6.551 -6.406 1.00 0.00 O ATOM 234 CB ASN A 15 -5.177 9.487 -5.227 1.00 0.00 C ATOM 235 CG ASN A 15 -6.615 9.959 -5.317 1.00 0.00 C ATOM 236 OD1 ASN A 15 -7.526 9.199 -4.722 1.00 0.00 O flip ATOM 237 ND2 ASN A 15 -6.903 10.996 -5.914 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.450 7.699 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.724 7.787 -6.366 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.798 9.676 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.563 10.068 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.170 11.550 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.875 11.302 -5.966 1.00 0.00 H new ATOM 244 N LEU A 16 -2.661 8.579 -5.778 1.00 0.00 N ATOM 245 CA LEU A 16 -1.265 8.280 -6.083 1.00 0.00 C ATOM 246 C LEU A 16 -0.328 9.098 -5.210 1.00 0.00 C ATOM 247 O LEU A 16 -0.709 9.584 -4.154 1.00 0.00 O ATOM 248 CB LEU A 16 -0.923 8.444 -7.568 1.00 0.00 C ATOM 249 CG LEU A 16 -0.247 7.215 -8.220 1.00 0.00 C ATOM 250 CD1 LEU A 16 1.255 7.197 -7.980 1.00 0.00 C ATOM 251 CD2 LEU A 16 -0.864 5.921 -7.722 1.00 0.00 C ATOM 0 H LEU A 16 -2.831 9.519 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.120 7.224 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.839 8.669 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.265 9.305 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.417 7.298 -9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.689 6.317 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.702 8.096 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.452 7.165 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.368 5.075 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.742 5.852 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.926 5.905 -7.969 1.00 0.00 H new ATOM 263 N ASN A 17 0.910 9.214 -5.646 1.00 0.00 N ATOM 264 CA ASN A 17 1.929 9.927 -4.900 1.00 0.00 C ATOM 265 C ASN A 17 3.174 10.133 -5.745 1.00 0.00 C ATOM 266 O ASN A 17 3.871 11.137 -5.613 1.00 0.00 O ATOM 267 CB ASN A 17 2.327 9.132 -3.659 1.00 0.00 C ATOM 268 CG ASN A 17 1.402 7.960 -3.345 1.00 0.00 C ATOM 269 OD1 ASN A 17 0.958 7.820 -2.216 1.00 0.00 O ATOM 270 ND2 ASN A 17 1.130 7.083 -4.317 1.00 0.00 N ATOM 0 H ASN A 17 1.239 8.817 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 17 1.513 10.893 -4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.341 8.755 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.347 9.804 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.539 6.274 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.513 7.223 -5.252 1.00 0.00 H new ATOM 277 N ASP A 18 3.471 9.150 -6.584 1.00 0.00 N ATOM 278 CA ASP A 18 4.656 9.207 -7.425 1.00 0.00 C ATOM 279 C ASP A 18 5.894 9.398 -6.559 1.00 0.00 C ATOM 280 O ASP A 18 6.944 9.825 -7.038 1.00 0.00 O ATOM 281 CB ASP A 18 4.540 10.350 -8.436 1.00 0.00 C ATOM 282 CG ASP A 18 4.958 9.934 -9.832 1.00 0.00 C ATOM 283 OD1 ASP A 18 4.896 8.724 -10.135 1.00 0.00 O ATOM 284 OD2 ASP A 18 5.349 10.818 -10.622 1.00 0.00 O ATOM 0 H ASP A 18 2.909 8.307 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 18 4.744 8.269 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.510 10.707 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.159 11.185 -8.108 1.00 0.00 H new ATOM 289 N ALA A 19 5.752 9.085 -5.274 1.00 0.00 N ATOM 290 CA ALA A 19 6.847 9.227 -4.326 1.00 0.00 C ATOM 291 C ALA A 19 7.599 10.529 -4.562 1.00 0.00 C ATOM 292 O ALA A 19 8.815 10.531 -4.750 1.00 0.00 O ATOM 293 CB ALA A 19 7.790 8.038 -4.421 1.00 0.00 C ATOM 0 H ALA A 19 4.886 8.731 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 19 6.428 9.255 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.603 8.160 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.244 7.122 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.200 7.978 -5.429 1.00 0.00 H new ATOM 299 N SER A 20 6.864 11.638 -4.549 1.00 0.00 N ATOM 300 CA SER A 20 7.463 12.951 -4.763 1.00 0.00 C ATOM 301 C SER A 20 6.403 14.047 -4.866 1.00 0.00 C ATOM 302 O SER A 20 6.677 15.212 -4.574 1.00 0.00 O ATOM 303 CB SER A 20 8.327 12.937 -6.024 1.00 0.00 C ATOM 304 OG SER A 20 7.579 12.516 -7.152 1.00 0.00 O ATOM 0 H SER A 20 5.856 11.653 -4.393 1.00 0.00 H new ATOM 0 HA SER A 20 8.088 13.174 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.730 13.934 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.177 12.270 -5.878 1.00 0.00 H new ATOM 0 HG SER A 20 7.392 11.557 -7.081 1.00 0.00 H new ATOM 310 N LEU A 21 5.196 13.675 -5.278 1.00 0.00 N ATOM 311 CA LEU A 21 4.109 14.639 -5.411 1.00 0.00 C ATOM 312 C LEU A 21 3.040 14.408 -4.347 1.00 0.00 C ATOM 313 O LEU A 21 2.198 15.271 -4.106 1.00 0.00 O ATOM 314 CB LEU A 21 3.487 14.562 -6.809 1.00 0.00 C ATOM 315 CG LEU A 21 3.309 13.150 -7.366 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.064 12.501 -6.781 1.00 0.00 C ATOM 317 CD2 LEU A 21 3.227 13.180 -8.884 1.00 0.00 C ATOM 0 H LEU A 21 4.946 12.717 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 21 4.527 15.636 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.513 15.050 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.111 15.131 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 21 4.177 12.556 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.952 11.496 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.158 12.445 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.188 13.096 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.100 12.165 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.377 13.790 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.145 13.606 -9.290 1.00 0.00 H new ATOM 329 N CYS A 22 3.088 13.240 -3.707 1.00 0.00 N ATOM 330 CA CYS A 22 2.128 12.893 -2.658 1.00 0.00 C ATOM 331 C CYS A 22 0.693 13.161 -3.113 1.00 0.00 C ATOM 332 O CYS A 22 0.281 14.312 -3.252 1.00 0.00 O ATOM 333 CB CYS A 22 2.428 13.675 -1.371 1.00 0.00 C ATOM 334 SG CYS A 22 3.782 14.893 -1.519 1.00 0.00 S ATOM 0 H CYS A 22 3.782 12.517 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 22 2.229 11.827 -2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.522 14.194 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.679 12.967 -0.581 1.00 0.00 H new ATOM 339 N ASP A 23 -0.065 12.091 -3.348 1.00 0.00 N ATOM 340 CA ASP A 23 -1.450 12.223 -3.796 1.00 0.00 C ATOM 341 C ASP A 23 -2.370 11.228 -3.089 1.00 0.00 C ATOM 342 O ASP A 23 -2.876 10.292 -3.708 1.00 0.00 O ATOM 343 CB ASP A 23 -1.534 12.021 -5.310 1.00 0.00 C ATOM 344 CG ASP A 23 -2.223 13.175 -6.011 1.00 0.00 C ATOM 345 OD1 ASP A 23 -1.615 14.263 -6.102 1.00 0.00 O ATOM 346 OD2 ASP A 23 -3.370 12.992 -6.469 1.00 0.00 O ATOM 0 H ASP A 23 0.254 11.129 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.785 13.229 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.529 11.902 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.073 11.098 -5.521 1.00 0.00 H new ATOM 351 N ASN A 24 -2.590 11.436 -1.794 1.00 0.00 N ATOM 352 CA ASN A 24 -3.457 10.551 -1.015 1.00 0.00 C ATOM 353 C ASN A 24 -4.929 10.882 -1.247 1.00 0.00 C ATOM 354 O ASN A 24 -5.542 10.390 -2.194 1.00 0.00 O ATOM 355 CB ASN A 24 -3.133 10.640 0.482 1.00 0.00 C ATOM 356 CG ASN A 24 -2.629 12.009 0.897 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.640 12.954 0.107 1.00 0.00 O ATOM 358 ND2 ASN A 24 -2.184 12.123 2.143 1.00 0.00 N ATOM 0 H ASN A 24 -2.183 12.205 -1.262 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.271 9.532 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.027 10.398 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.381 9.891 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.833 13.020 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.193 11.314 2.764 1.00 0.00 H new ATOM 365 N VAL A 25 -5.492 11.714 -0.375 1.00 0.00 N ATOM 366 CA VAL A 25 -6.893 12.102 -0.490 1.00 0.00 C ATOM 367 C VAL A 25 -7.814 10.931 -0.162 1.00 0.00 C ATOM 368 O VAL A 25 -8.395 10.319 -1.058 1.00 0.00 O ATOM 369 CB VAL A 25 -7.220 12.618 -1.903 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.533 13.387 -1.901 1.00 0.00 C ATOM 371 CG2 VAL A 25 -6.086 13.486 -2.429 1.00 0.00 C ATOM 0 H VAL A 25 -5.001 12.131 0.416 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.059 12.905 0.228 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.330 11.761 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.747 13.744 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.338 12.731 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.455 14.238 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.334 13.842 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.943 14.339 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.168 12.900 -2.470 1.00 0.00 H new ATOM 381 N LEU A 26 -7.939 10.628 1.128 1.00 0.00 N ATOM 382 CA LEU A 26 -8.789 9.532 1.583 1.00 0.00 C ATOM 383 C LEU A 26 -8.026 8.211 1.596 1.00 0.00 C ATOM 384 O LEU A 26 -8.112 7.423 0.654 1.00 0.00 O ATOM 385 CB LEU A 26 -10.028 9.410 0.693 1.00 0.00 C ATOM 386 CG LEU A 26 -11.329 9.104 1.435 1.00 0.00 C ATOM 387 CD1 LEU A 26 -12.121 10.380 1.670 1.00 0.00 C ATOM 388 CD2 LEU A 26 -12.159 8.093 0.658 1.00 0.00 C ATOM 0 H LEU A 26 -7.461 11.128 1.878 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.103 9.756 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.153 10.341 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.853 8.624 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.081 8.672 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.044 10.143 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.527 11.072 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.360 10.841 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.082 7.886 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.399 8.498 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.592 7.169 0.542 1.00 0.00 H new ATOM 400 N ALA A 27 -7.284 7.975 2.673 1.00 0.00 N ATOM 401 CA ALA A 27 -6.510 6.751 2.817 1.00 0.00 C ATOM 402 C ALA A 27 -6.007 6.597 4.249 1.00 0.00 C ATOM 403 O ALA A 27 -5.351 7.489 4.786 1.00 0.00 O ATOM 404 CB ALA A 27 -5.347 6.742 1.839 1.00 0.00 C ATOM 0 H ALA A 27 -7.203 8.619 3.460 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.159 5.905 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.778 5.820 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.728 6.803 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.700 7.596 2.036 1.00 0.00 H new ATOM 410 N PRO A 28 -6.320 5.461 4.887 1.00 0.00 N ATOM 411 CA PRO A 28 -5.911 5.188 6.268 1.00 0.00 C ATOM 412 C PRO A 28 -4.443 4.795 6.379 1.00 0.00 C ATOM 413 O PRO A 28 -3.826 4.372 5.400 1.00 0.00 O ATOM 414 CB PRO A 28 -6.803 4.012 6.661 1.00 0.00 C ATOM 415 CG PRO A 28 -7.044 3.291 5.381 1.00 0.00 C ATOM 416 CD PRO A 28 -7.108 4.353 4.315 1.00 0.00 C ATOM 0 HA PRO A 28 -6.016 6.066 6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.315 3.370 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.737 4.353 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.244 2.580 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.973 2.722 5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.684 4.003 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.135 4.655 4.110 1.00 0.00 H new ATOM 424 N ASN A 29 -3.892 4.927 7.581 1.00 0.00 N ATOM 425 CA ASN A 29 -2.499 4.576 7.826 1.00 0.00 C ATOM 426 C ASN A 29 -2.390 3.114 8.242 1.00 0.00 C ATOM 427 O ASN A 29 -2.889 2.721 9.296 1.00 0.00 O ATOM 428 CB ASN A 29 -1.905 5.476 8.910 1.00 0.00 C ATOM 429 CG ASN A 29 -2.305 6.929 8.737 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.340 7.232 8.146 1.00 0.00 O ATOM 431 ND2 ASN A 29 -1.482 7.833 9.253 1.00 0.00 N ATOM 0 H ASN A 29 -4.390 5.275 8.401 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.937 4.723 6.904 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.232 5.126 9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.818 5.396 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.697 8.826 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.634 7.535 9.735 1.00 0.00 H new ATOM 438 N VAL A 30 -1.750 2.309 7.402 1.00 0.00 N ATOM 439 CA VAL A 30 -1.597 0.889 7.684 1.00 0.00 C ATOM 440 C VAL A 30 -0.317 0.331 7.075 1.00 0.00 C ATOM 441 O VAL A 30 0.567 1.080 6.666 1.00 0.00 O ATOM 442 CB VAL A 30 -2.796 0.086 7.148 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.095 0.821 7.432 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.650 -0.177 5.654 1.00 0.00 C ATOM 0 H VAL A 30 -1.331 2.615 6.524 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.547 0.788 8.768 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.819 -0.875 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.933 0.240 7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.210 0.955 8.508 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.075 1.796 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.509 -0.746 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.598 0.772 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.738 -0.746 5.472 1.00 0.00 H new ATOM 454 N THR A 31 -0.234 -0.992 7.009 1.00 0.00 N ATOM 455 CA THR A 31 0.929 -1.654 6.438 1.00 0.00 C ATOM 456 C THR A 31 0.723 -1.896 4.947 1.00 0.00 C ATOM 457 O THR A 31 -0.264 -2.504 4.541 1.00 0.00 O ATOM 458 CB THR A 31 1.190 -2.981 7.153 1.00 0.00 C ATOM 459 OG1 THR A 31 0.012 -3.449 7.786 1.00 0.00 O ATOM 460 CG2 THR A 31 2.273 -2.889 8.206 1.00 0.00 C ATOM 0 H THR A 31 -0.959 -1.626 7.344 1.00 0.00 H new ATOM 0 HA THR A 31 1.795 -1.006 6.572 1.00 0.00 H new ATOM 0 HB THR A 31 1.520 -3.670 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.198 -4.299 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.408 -3.864 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.208 -2.577 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.984 -2.160 8.963 1.00 0.00 H new ATOM 468 N LYS A 32 1.659 -1.406 4.141 1.00 0.00 N ATOM 469 CA LYS A 32 1.589 -1.558 2.689 1.00 0.00 C ATOM 470 C LYS A 32 0.887 -2.855 2.295 1.00 0.00 C ATOM 471 O LYS A 32 0.144 -2.898 1.315 1.00 0.00 O ATOM 472 CB LYS A 32 2.997 -1.531 2.093 1.00 0.00 C ATOM 473 CG LYS A 32 4.038 -2.201 2.970 1.00 0.00 C ATOM 474 CD LYS A 32 5.415 -1.589 2.766 1.00 0.00 C ATOM 475 CE LYS A 32 6.211 -1.565 4.061 1.00 0.00 C ATOM 476 NZ LYS A 32 5.928 -2.754 4.911 1.00 0.00 N ATOM 0 H LYS A 32 2.480 -0.897 4.469 1.00 0.00 H new ATOM 0 HA LYS A 32 1.007 -0.725 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.981 -2.024 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.290 -0.495 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.748 -2.107 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.075 -3.267 2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.960 -2.159 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.310 -0.574 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.276 -1.529 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.973 -0.658 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.753 -2.956 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.101 -2.562 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.732 -3.576 4.304 1.00 0.00 H new ATOM 490 N GLN A 33 1.133 -3.911 3.061 1.00 0.00 N ATOM 491 CA GLN A 33 0.530 -5.211 2.789 1.00 0.00 C ATOM 492 C GLN A 33 -0.993 -5.123 2.787 1.00 0.00 C ATOM 493 O GLN A 33 -1.657 -5.706 1.929 1.00 0.00 O ATOM 494 CB GLN A 33 0.993 -6.237 3.824 1.00 0.00 C ATOM 495 CG GLN A 33 2.488 -6.194 4.095 1.00 0.00 C ATOM 496 CD GLN A 33 3.154 -7.543 3.909 1.00 0.00 C ATOM 497 OE1 GLN A 33 4.215 -7.645 3.293 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.530 -8.589 4.439 1.00 0.00 N ATOM 0 H GLN A 33 1.746 -3.893 3.876 1.00 0.00 H new ATOM 0 HA GLN A 33 0.854 -5.530 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.458 -6.066 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.723 -7.235 3.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.953 -5.468 3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.659 -5.846 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.652 -8.458 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.929 -9.523 4.343 1.00 0.00 H new ATOM 507 N GLU A 34 -1.542 -4.397 3.755 1.00 0.00 N ATOM 508 CA GLU A 34 -2.988 -4.237 3.871 1.00 0.00 C ATOM 509 C GLU A 34 -3.517 -3.225 2.858 1.00 0.00 C ATOM 510 O GLU A 34 -4.404 -3.535 2.063 1.00 0.00 O ATOM 511 CB GLU A 34 -3.359 -3.794 5.287 1.00 0.00 C ATOM 512 CG GLU A 34 -2.477 -4.400 6.367 1.00 0.00 C ATOM 513 CD GLU A 34 -2.445 -5.914 6.309 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.527 -6.528 6.190 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.338 -6.487 6.384 1.00 0.00 O ATOM 0 H GLU A 34 -1.006 -3.909 4.473 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.448 -5.203 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.297 -2.707 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.396 -4.065 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.463 -4.014 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.838 -4.085 7.346 1.00 0.00 H new ATOM 522 N CYS A 35 -2.971 -2.014 2.896 1.00 0.00 N ATOM 523 CA CYS A 35 -3.395 -0.957 1.984 1.00 0.00 C ATOM 524 C CYS A 35 -3.386 -1.444 0.538 1.00 0.00 C ATOM 525 O CYS A 35 -4.424 -1.480 -0.123 1.00 0.00 O ATOM 526 CB CYS A 35 -2.486 0.267 2.136 1.00 0.00 C ATOM 527 SG CYS A 35 -2.468 1.375 0.689 1.00 0.00 S ATOM 0 H CYS A 35 -2.235 -1.740 3.547 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.416 -0.676 2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.805 0.835 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.469 -0.073 2.331 1.00 0.00 H new ATOM 532 N CYS A 36 -2.207 -1.814 0.055 1.00 0.00 N ATOM 533 CA CYS A 36 -2.052 -2.296 -1.312 1.00 0.00 C ATOM 534 C CYS A 36 -2.909 -3.531 -1.564 1.00 0.00 C ATOM 535 O CYS A 36 -3.610 -3.607 -2.570 1.00 0.00 O ATOM 536 CB CYS A 36 -0.581 -2.604 -1.589 1.00 0.00 C ATOM 537 SG CYS A 36 0.580 -1.371 -0.912 1.00 0.00 S ATOM 0 H CYS A 36 -1.340 -1.789 0.592 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.390 -1.513 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.341 -3.581 -1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.432 -2.674 -2.667 1.00 0.00 H new ATOM 542 N CYS A 37 -2.865 -4.495 -0.651 1.00 0.00 N ATOM 543 CA CYS A 37 -3.663 -5.704 -0.811 1.00 0.00 C ATOM 544 C CYS A 37 -5.119 -5.328 -1.057 1.00 0.00 C ATOM 545 O CYS A 37 -5.886 -6.104 -1.626 1.00 0.00 O ATOM 546 CB CYS A 37 -3.537 -6.605 0.421 1.00 0.00 C ATOM 547 SG CYS A 37 -4.783 -7.934 0.514 1.00 0.00 S ATOM 0 H CYS A 37 -2.295 -4.465 0.194 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.291 -6.261 -1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.544 -7.054 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.614 -5.988 1.316 1.00 0.00 H new ATOM 552 N THR A 38 -5.480 -4.116 -0.646 1.00 0.00 N ATOM 553 CA THR A 38 -6.831 -3.611 -0.841 1.00 0.00 C ATOM 554 C THR A 38 -7.020 -3.197 -2.295 1.00 0.00 C ATOM 555 O THR A 38 -8.142 -3.148 -2.800 1.00 0.00 O ATOM 556 CB THR A 38 -7.094 -2.420 0.082 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.664 -2.705 1.400 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.553 -2.024 0.149 1.00 0.00 C ATOM 0 H THR A 38 -4.852 -3.465 -0.175 1.00 0.00 H new ATOM 0 HA THR A 38 -7.541 -4.401 -0.597 1.00 0.00 H new ATOM 0 HB THR A 38 -6.531 -1.591 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.686 -2.657 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.669 -1.173 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.902 -1.750 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.141 -2.863 0.521 1.00 0.00 H new ATOM 566 N SER A 39 -5.897 -2.910 -2.957 1.00 0.00 N ATOM 567 CA SER A 39 -5.890 -2.506 -4.361 1.00 0.00 C ATOM 568 C SER A 39 -5.896 -0.992 -4.501 1.00 0.00 C ATOM 569 O SER A 39 -6.790 -0.416 -5.122 1.00 0.00 O ATOM 570 CB SER A 39 -7.075 -3.115 -5.100 1.00 0.00 C ATOM 571 OG SER A 39 -6.901 -3.029 -6.504 1.00 0.00 O ATOM 0 H SER A 39 -4.970 -2.952 -2.534 1.00 0.00 H new ATOM 0 HA SER A 39 -4.970 -2.880 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.192 -4.159 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.991 -2.599 -4.812 1.00 0.00 H new ATOM 0 HG SER A 39 -6.838 -2.088 -6.769 1.00 0.00 H new ATOM 577 N GLY A 40 -4.886 -0.355 -3.921 1.00 0.00 N ATOM 578 CA GLY A 40 -4.782 1.086 -3.991 1.00 0.00 C ATOM 579 C GLY A 40 -3.940 1.563 -5.161 1.00 0.00 C ATOM 580 O GLY A 40 -4.232 1.255 -6.317 1.00 0.00 O ATOM 0 H GLY A 40 -4.137 -0.814 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.781 1.514 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.349 1.459 -3.063 1.00 0.00 H new ATOM 584 N ALA A 41 -2.900 2.331 -4.854 1.00 0.00 N ATOM 585 CA ALA A 41 -2.008 2.881 -5.871 1.00 0.00 C ATOM 586 C ALA A 41 -0.606 3.110 -5.336 1.00 0.00 C ATOM 587 O ALA A 41 0.374 2.983 -6.068 1.00 0.00 O ATOM 588 CB ALA A 41 -2.582 4.167 -6.411 1.00 0.00 C ATOM 0 H ALA A 41 -2.652 2.589 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.929 2.150 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.913 4.574 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.558 3.972 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.690 4.886 -5.599 1.00 0.00 H new ATOM 594 N GLY A 42 -0.514 3.454 -4.060 1.00 0.00 N ATOM 595 CA GLY A 42 0.766 3.701 -3.453 1.00 0.00 C ATOM 596 C GLY A 42 0.678 3.695 -1.936 1.00 0.00 C ATOM 597 O GLY A 42 -0.356 4.041 -1.369 1.00 0.00 O ATOM 0 H GLY A 42 -1.312 3.566 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.476 2.942 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.150 4.663 -3.792 1.00 0.00 H new ATOM 601 N TRP A 43 1.754 3.289 -1.275 1.00 0.00 N ATOM 602 CA TRP A 43 1.779 3.239 0.184 1.00 0.00 C ATOM 603 C TRP A 43 3.112 3.746 0.723 1.00 0.00 C ATOM 604 O TRP A 43 4.170 3.223 0.373 1.00 0.00 O ATOM 605 CB TRP A 43 1.531 1.810 0.669 1.00 0.00 C ATOM 606 CG TRP A 43 1.591 1.661 2.160 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.532 1.616 3.024 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.770 1.525 2.964 1.00 0.00 C ATOM 609 NE1 TRP A 43 0.982 1.460 4.312 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.350 1.401 4.301 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.141 1.495 2.684 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.249 1.248 5.351 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.030 1.340 3.732 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.579 1.219 5.048 1.00 0.00 C ATOM 0 H TRP A 43 2.620 2.990 -1.723 1.00 0.00 H new ATOM 0 HA TRP A 43 0.986 3.886 0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.552 1.482 0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.270 1.149 0.217 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.506 1.692 2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.393 1.398 5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.498 1.591 1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.906 1.155 6.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.090 1.312 3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.299 1.100 5.844 1.00 0.00 H new ATOM 625 N GLY A 44 3.058 4.766 1.576 1.00 0.00 N ATOM 626 CA GLY A 44 4.278 5.315 2.141 1.00 0.00 C ATOM 627 C GLY A 44 4.029 6.485 3.071 1.00 0.00 C ATOM 628 O GLY A 44 2.932 6.647 3.606 1.00 0.00 O ATOM 0 H GLY A 44 2.198 5.219 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.804 4.531 2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.934 5.635 1.332 1.00 0.00 H new ATOM 632 N ASP A 45 5.063 7.299 3.271 1.00 0.00 N ATOM 633 CA ASP A 45 4.971 8.459 4.150 1.00 0.00 C ATOM 634 C ASP A 45 4.886 9.760 3.352 1.00 0.00 C ATOM 635 O ASP A 45 5.906 10.363 3.024 1.00 0.00 O ATOM 636 CB ASP A 45 6.175 8.504 5.092 1.00 0.00 C ATOM 637 CG ASP A 45 7.435 7.960 4.445 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.454 6.760 4.101 1.00 0.00 O ATOM 639 OD2 ASP A 45 8.401 8.735 4.283 1.00 0.00 O ATOM 0 H ASP A 45 5.976 7.175 2.834 1.00 0.00 H new ATOM 0 HA ASP A 45 4.057 8.361 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.347 9.533 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.952 7.927 5.990 1.00 0.00 H new ATOM 644 N ASN A 46 3.656 10.182 3.064 1.00 0.00 N ATOM 645 CA ASN A 46 3.396 11.419 2.321 1.00 0.00 C ATOM 646 C ASN A 46 4.559 11.818 1.417 1.00 0.00 C ATOM 647 O ASN A 46 5.573 12.337 1.882 1.00 0.00 O ATOM 648 CB ASN A 46 3.083 12.557 3.293 1.00 0.00 C ATOM 649 CG ASN A 46 3.082 13.914 2.615 1.00 0.00 C ATOM 650 OD1 ASN A 46 2.333 14.031 1.526 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 3.748 14.846 3.066 1.00 0.00 N flip ATOM 0 H ASN A 46 2.812 9.679 3.337 1.00 0.00 H new ATOM 0 HA ASN A 46 2.537 11.229 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.109 12.382 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.819 12.557 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.310 14.711 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.738 15.753 2.599 1.00 0.00 H new ATOM 658 N CYS A 47 4.392 11.594 0.114 1.00 0.00 N ATOM 659 CA CYS A 47 5.414 11.947 -0.867 1.00 0.00 C ATOM 660 C CYS A 47 6.435 10.825 -1.033 1.00 0.00 C ATOM 661 O CYS A 47 7.123 10.746 -2.050 1.00 0.00 O ATOM 662 CB CYS A 47 6.107 13.248 -0.463 1.00 0.00 C ATOM 663 SG CYS A 47 4.954 14.542 0.103 1.00 0.00 S ATOM 0 H CYS A 47 3.556 11.168 -0.286 1.00 0.00 H new ATOM 0 HA CYS A 47 4.923 12.093 -1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.823 13.037 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.676 13.626 -1.312 1.00 0.00 H new ATOM 668 N GLU A 48 6.513 9.949 -0.039 1.00 0.00 N ATOM 669 CA GLU A 48 7.429 8.816 -0.087 1.00 0.00 C ATOM 670 C GLU A 48 6.626 7.524 -0.173 1.00 0.00 C ATOM 671 O GLU A 48 6.713 6.659 0.698 1.00 0.00 O ATOM 672 CB GLU A 48 8.330 8.800 1.150 1.00 0.00 C ATOM 673 CG GLU A 48 8.983 10.141 1.443 1.00 0.00 C ATOM 674 CD GLU A 48 9.797 10.661 0.275 1.00 0.00 C ATOM 675 OE1 GLU A 48 9.287 10.628 -0.865 1.00 0.00 O ATOM 676 OE2 GLU A 48 10.943 11.101 0.500 1.00 0.00 O ATOM 0 H GLU A 48 5.952 10.001 0.811 1.00 0.00 H new ATOM 0 HA GLU A 48 8.065 8.907 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.741 8.495 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.108 8.048 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.212 10.869 1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.628 10.044 2.316 1.00 0.00 H new ATOM 683 N ILE A 49 5.816 7.429 -1.221 1.00 0.00 N ATOM 684 CA ILE A 49 4.952 6.278 -1.435 1.00 0.00 C ATOM 685 C ILE A 49 5.471 5.375 -2.557 1.00 0.00 C ATOM 686 O ILE A 49 6.181 5.828 -3.454 1.00 0.00 O ATOM 687 CB ILE A 49 3.522 6.759 -1.767 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.813 7.218 -0.497 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.716 5.682 -2.469 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.596 8.711 -0.454 1.00 0.00 C ATOM 0 H ILE A 49 5.741 8.146 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 49 4.944 5.690 -0.517 1.00 0.00 H new ATOM 0 HB ILE A 49 3.604 7.603 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.850 6.713 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.400 6.916 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.716 6.059 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.210 5.407 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.642 4.805 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.088 8.978 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.559 9.220 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.985 9.014 -1.304 1.00 0.00 H new ATOM 702 N PHE A 50 5.101 4.095 -2.497 1.00 0.00 N ATOM 703 CA PHE A 50 5.517 3.125 -3.504 1.00 0.00 C ATOM 704 C PHE A 50 4.313 2.632 -4.303 1.00 0.00 C ATOM 705 O PHE A 50 3.364 2.085 -3.740 1.00 0.00 O ATOM 706 CB PHE A 50 6.217 1.940 -2.839 1.00 0.00 C ATOM 707 CG PHE A 50 6.843 2.282 -1.518 1.00 0.00 C ATOM 708 CD1 PHE A 50 8.025 3.003 -1.460 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.249 1.881 -0.332 1.00 0.00 C ATOM 710 CE1 PHE A 50 8.602 3.319 -0.245 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.821 2.193 0.885 1.00 0.00 C ATOM 712 CZ PHE A 50 7.998 2.913 0.929 1.00 0.00 C ATOM 0 H PHE A 50 4.513 3.708 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 50 6.213 3.615 -4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.495 1.136 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.987 1.559 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.501 3.322 -2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.328 1.318 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.523 3.882 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.348 1.874 1.802 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.446 3.159 1.880 1.00 0.00 H new ATOM 722 N PRO A 51 4.338 2.828 -5.629 1.00 0.00 N ATOM 723 CA PRO A 51 3.248 2.411 -6.516 1.00 0.00 C ATOM 724 C PRO A 51 2.743 1.000 -6.220 1.00 0.00 C ATOM 725 O PRO A 51 3.330 0.014 -6.666 1.00 0.00 O ATOM 726 CB PRO A 51 3.891 2.470 -7.901 1.00 0.00 C ATOM 727 CG PRO A 51 4.925 3.535 -7.787 1.00 0.00 C ATOM 728 CD PRO A 51 5.435 3.477 -6.371 1.00 0.00 C ATOM 0 HA PRO A 51 2.368 3.045 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.336 1.513 -8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.157 2.711 -8.670 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.734 3.370 -8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.501 4.514 -8.008 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.359 2.903 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.648 4.472 -5.981 1.00 0.00 H new ATOM 736 N CYS A 52 1.648 0.913 -5.468 1.00 0.00 N ATOM 737 CA CYS A 52 1.059 -0.375 -5.116 1.00 0.00 C ATOM 738 C CYS A 52 -0.460 -0.316 -5.121 1.00 0.00 C ATOM 739 O CYS A 52 -1.076 0.692 -4.731 1.00 0.00 O ATOM 740 CB CYS A 52 1.529 -0.821 -3.740 1.00 0.00 C ATOM 741 SG CYS A 52 0.706 0.041 -2.363 1.00 0.00 S ATOM 0 H CYS A 52 1.151 1.720 -5.091 1.00 0.00 H new ATOM 0 HA CYS A 52 1.386 -1.092 -5.869 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.358 -1.893 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.605 -0.661 -3.665 1.00 0.00 H new ATOM 746 N PRO A 53 -1.091 -1.411 -5.556 1.00 0.00 N ATOM 747 CA PRO A 53 -0.416 -2.617 -6.020 1.00 0.00 C ATOM 748 C PRO A 53 -0.250 -2.646 -7.536 1.00 0.00 C ATOM 749 O PRO A 53 -0.403 -1.627 -8.208 1.00 0.00 O ATOM 750 CB PRO A 53 -1.385 -3.711 -5.581 1.00 0.00 C ATOM 751 CG PRO A 53 -2.737 -3.061 -5.531 1.00 0.00 C ATOM 752 CD PRO A 53 -2.532 -1.565 -5.642 1.00 0.00 C ATOM 0 HA PRO A 53 0.595 -2.710 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.377 -4.545 -6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.107 -4.112 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.366 -3.422 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.247 -3.309 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.921 -1.176 -6.583 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.041 -1.030 -4.840 1.00 0.00 H new ATOM 760 N VAL A 54 0.056 -3.826 -8.064 1.00 0.00 N ATOM 761 CA VAL A 54 0.235 -4.001 -9.499 1.00 0.00 C ATOM 762 C VAL A 54 -0.681 -5.099 -10.037 1.00 0.00 C ATOM 763 O VAL A 54 -0.788 -5.294 -11.248 1.00 0.00 O ATOM 764 CB VAL A 54 1.696 -4.348 -9.846 1.00 0.00 C ATOM 765 CG1 VAL A 54 1.869 -4.505 -11.348 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.640 -3.286 -9.302 1.00 0.00 C ATOM 0 H VAL A 54 0.185 -4.677 -7.517 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.025 -3.052 -9.969 1.00 0.00 H new ATOM 0 HB VAL A 54 1.944 -5.299 -9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.907 -4.750 -11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.222 -5.306 -11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.601 -3.572 -11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.667 -3.547 -9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.392 -2.320 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.538 -3.229 -8.218 1.00 0.00 H new ATOM 776 N LEU A 55 -1.344 -5.811 -9.128 1.00 0.00 N ATOM 777 CA LEU A 55 -2.252 -6.888 -9.509 1.00 0.00 C ATOM 778 C LEU A 55 -1.524 -7.958 -10.313 1.00 0.00 C ATOM 779 O LEU A 55 -0.705 -7.651 -11.180 1.00 0.00 O ATOM 780 CB LEU A 55 -3.425 -6.336 -10.318 1.00 0.00 C ATOM 781 CG LEU A 55 -4.806 -6.608 -9.719 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.844 -6.196 -8.256 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.881 -5.877 -10.509 1.00 0.00 C ATOM 0 H LEU A 55 -1.269 -5.660 -8.122 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.634 -7.344 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.298 -5.259 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.389 -6.763 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.003 -7.678 -9.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.834 -6.397 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.099 -6.764 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.626 -5.131 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.857 -6.081 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.687 -4.805 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.869 -6.221 -11.543 1.00 0.00 H new ATOM 795 N GLY A 56 -1.829 -9.218 -10.019 1.00 0.00 N ATOM 796 CA GLY A 56 -1.198 -10.318 -10.723 1.00 0.00 C ATOM 797 C GLY A 56 0.257 -10.040 -11.044 1.00 0.00 C ATOM 798 O GLY A 56 0.708 -10.278 -12.165 1.00 0.00 O ATOM 0 H GLY A 56 -2.502 -9.496 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.267 -11.221 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.741 -10.513 -11.648 1.00 0.00 H new ATOM 802 N THR A 57 0.994 -9.535 -10.061 1.00 0.00 N ATOM 803 CA THR A 57 2.405 -9.225 -10.249 1.00 0.00 C ATOM 804 C THR A 57 3.182 -9.390 -8.949 1.00 0.00 C ATOM 805 O THR A 57 2.606 -9.647 -7.893 1.00 0.00 O ATOM 806 CB THR A 57 2.570 -7.799 -10.778 1.00 0.00 C ATOM 807 OG1 THR A 57 1.440 -7.012 -10.448 1.00 0.00 O ATOM 808 CG2 THR A 57 2.754 -7.735 -12.278 1.00 0.00 C ATOM 0 H THR A 57 0.638 -9.332 -9.127 1.00 0.00 H new ATOM 0 HA THR A 57 2.808 -9.926 -10.980 1.00 0.00 H new ATOM 0 HB THR A 57 3.473 -7.415 -10.303 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.688 -7.261 -11.025 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.865 -6.696 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.646 -8.295 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.884 -8.169 -12.770 1.00 0.00 H new ATOM 816 N ALA A 58 4.499 -9.241 -9.040 1.00 0.00 N ATOM 817 CA ALA A 58 5.373 -9.374 -7.882 1.00 0.00 C ATOM 818 C ALA A 58 4.884 -8.537 -6.706 1.00 0.00 C ATOM 819 O ALA A 58 4.520 -9.071 -5.658 1.00 0.00 O ATOM 820 CB ALA A 58 6.785 -8.960 -8.255 1.00 0.00 C ATOM 0 H ALA A 58 4.986 -9.027 -9.910 1.00 0.00 H new ATOM 0 HA ALA A 58 5.362 -10.420 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.435 -9.061 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.151 -9.599 -9.059 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.784 -7.922 -8.589 1.00 0.00 H new ATOM 826 N GLU A 59 4.891 -7.222 -6.886 1.00 0.00 N ATOM 827 CA GLU A 59 4.461 -6.306 -5.842 1.00 0.00 C ATOM 828 C GLU A 59 3.243 -6.849 -5.108 1.00 0.00 C ATOM 829 O GLU A 59 3.372 -7.522 -4.085 1.00 0.00 O ATOM 830 CB GLU A 59 4.151 -4.935 -6.444 1.00 0.00 C ATOM 831 CG GLU A 59 3.685 -3.910 -5.423 1.00 0.00 C ATOM 832 CD GLU A 59 4.056 -2.492 -5.814 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.469 -2.285 -6.974 1.00 0.00 O ATOM 834 OE2 GLU A 59 3.931 -1.589 -4.960 1.00 0.00 O ATOM 0 H GLU A 59 5.191 -6.767 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 59 5.271 -6.203 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.043 -4.557 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.382 -5.049 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.603 -3.981 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.124 -4.143 -4.453 1.00 0.00 H new ATOM 841 N PHE A 60 2.061 -6.548 -5.631 1.00 0.00 N ATOM 842 CA PHE A 60 0.818 -7.003 -5.022 1.00 0.00 C ATOM 843 C PHE A 60 0.972 -8.375 -4.382 1.00 0.00 C ATOM 844 O PHE A 60 0.885 -8.522 -3.164 1.00 0.00 O ATOM 845 CB PHE A 60 -0.300 -7.074 -6.051 1.00 0.00 C ATOM 846 CG PHE A 60 -1.582 -7.566 -5.452 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.338 -6.742 -4.636 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.014 -8.861 -5.680 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.504 -7.201 -4.058 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.181 -9.325 -5.109 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.927 -8.493 -4.296 1.00 0.00 C ATOM 0 H PHE A 60 1.937 -5.990 -6.476 1.00 0.00 H new ATOM 0 HA PHE A 60 0.567 -6.275 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.458 -6.086 -6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.003 -7.735 -6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.012 -5.729 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.431 -9.515 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.084 -6.550 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.511 -10.336 -5.297 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.841 -8.854 -3.847 1.00 0.00 H new ATOM 861 N THR A 61 1.179 -9.383 -5.218 1.00 0.00 N ATOM 862 CA THR A 61 1.324 -10.754 -4.739 1.00 0.00 C ATOM 863 C THR A 61 2.038 -10.794 -3.391 1.00 0.00 C ATOM 864 O THR A 61 1.784 -11.676 -2.570 1.00 0.00 O ATOM 865 CB THR A 61 2.076 -11.605 -5.762 1.00 0.00 C ATOM 866 OG1 THR A 61 3.356 -11.062 -6.026 1.00 0.00 O ATOM 867 CG2 THR A 61 1.347 -11.735 -7.082 1.00 0.00 C ATOM 0 H THR A 61 1.250 -9.279 -6.230 1.00 0.00 H new ATOM 0 HA THR A 61 0.324 -11.168 -4.606 1.00 0.00 H new ATOM 0 HB THR A 61 2.156 -12.594 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.258 -10.163 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.934 -12.351 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.376 -12.202 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.205 -10.746 -7.518 1.00 0.00 H new ATOM 875 N GLU A 62 2.929 -9.833 -3.166 1.00 0.00 N ATOM 876 CA GLU A 62 3.672 -9.761 -1.914 1.00 0.00 C ATOM 877 C GLU A 62 2.831 -9.128 -0.808 1.00 0.00 C ATOM 878 O GLU A 62 2.683 -9.695 0.274 1.00 0.00 O ATOM 879 CB GLU A 62 4.962 -8.962 -2.109 1.00 0.00 C ATOM 880 CG GLU A 62 5.710 -9.316 -3.384 1.00 0.00 C ATOM 881 CD GLU A 62 7.110 -9.831 -3.114 1.00 0.00 C ATOM 882 OE1 GLU A 62 7.815 -9.223 -2.282 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.500 -10.843 -3.733 1.00 0.00 O ATOM 0 H GLU A 62 3.153 -9.095 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 62 3.921 -10.779 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.723 -7.899 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.617 -9.131 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.148 -10.072 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.768 -8.435 -4.024 1.00 0.00 H new ATOM 890 N MET A 63 2.294 -7.945 -1.085 1.00 0.00 N ATOM 891 CA MET A 63 1.477 -7.225 -0.111 1.00 0.00 C ATOM 892 C MET A 63 0.133 -7.912 0.118 1.00 0.00 C ATOM 893 O MET A 63 -0.576 -7.592 1.072 1.00 0.00 O ATOM 894 CB MET A 63 1.247 -5.785 -0.573 1.00 0.00 C ATOM 895 CG MET A 63 0.900 -5.657 -2.046 1.00 0.00 C ATOM 896 SD MET A 63 2.264 -4.983 -3.014 1.00 0.00 S ATOM 897 CE MET A 63 2.731 -3.577 -2.008 1.00 0.00 C ATOM 0 H MET A 63 2.409 -7.463 -1.976 1.00 0.00 H new ATOM 0 HA MET A 63 2.021 -7.223 0.834 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.442 -5.349 0.019 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.145 -5.201 -0.370 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.627 -6.636 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.026 -5.015 -2.157 1.00 0.00 H new ATOM 0 HE1 MET A 63 2.934 -2.721 -2.651 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.918 -3.333 -1.324 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.626 -3.820 -1.436 1.00 0.00 H new ATOM 907 N CYS A 64 -0.219 -8.843 -0.759 1.00 0.00 N ATOM 908 CA CYS A 64 -1.489 -9.552 -0.636 1.00 0.00 C ATOM 909 C CYS A 64 -1.370 -10.992 -1.127 1.00 0.00 C ATOM 910 O CYS A 64 -1.672 -11.293 -2.282 1.00 0.00 O ATOM 911 CB CYS A 64 -2.571 -8.818 -1.427 1.00 0.00 C ATOM 912 SG CYS A 64 -4.278 -9.253 -0.953 1.00 0.00 S ATOM 0 H CYS A 64 0.350 -9.124 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.763 -9.578 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.433 -7.745 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.436 -9.031 -2.487 1.00 0.00 H new ATOM 917 N PRO A 65 -0.931 -11.902 -0.246 1.00 0.00 N ATOM 918 CA PRO A 65 -0.776 -13.318 -0.581 1.00 0.00 C ATOM 919 C PRO A 65 -2.112 -14.052 -0.618 1.00 0.00 C ATOM 920 O PRO A 65 -2.204 -15.172 -1.119 1.00 0.00 O ATOM 921 CB PRO A 65 0.096 -13.849 0.555 1.00 0.00 C ATOM 922 CG PRO A 65 -0.232 -12.976 1.718 1.00 0.00 C ATOM 923 CD PRO A 65 -0.555 -11.618 1.150 1.00 0.00 C ATOM 0 HA PRO A 65 -0.346 -13.463 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.125 -14.895 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.155 -13.792 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.078 -13.375 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.608 -12.918 2.410 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.369 -11.140 1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.302 -10.947 1.205 1.00 0.00 H new ATOM 931 N LYS A 66 -3.146 -13.411 -0.081 1.00 0.00 N ATOM 932 CA LYS A 66 -4.479 -14.002 -0.049 1.00 0.00 C ATOM 933 C LYS A 66 -5.267 -13.632 -1.301 1.00 0.00 C ATOM 934 O LYS A 66 -5.500 -14.472 -2.171 1.00 0.00 O ATOM 935 CB LYS A 66 -5.234 -13.540 1.198 1.00 0.00 C ATOM 936 CG LYS A 66 -5.710 -14.684 2.079 1.00 0.00 C ATOM 937 CD LYS A 66 -4.615 -15.151 3.025 1.00 0.00 C ATOM 938 CE LYS A 66 -5.066 -16.341 3.855 1.00 0.00 C ATOM 939 NZ LYS A 66 -4.454 -17.613 3.381 1.00 0.00 N ATOM 0 H LYS A 66 -3.086 -12.483 0.338 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.369 -15.086 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.587 -12.887 1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.095 -12.945 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.578 -14.364 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.032 -15.517 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.728 -15.421 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.330 -14.332 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.800 -16.177 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.152 -16.423 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.787 -18.400 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.729 -17.783 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.418 -17.545 3.446 1.00 0.00 H new ATOM 953 N GLY A 67 -5.675 -12.370 -1.387 1.00 0.00 N ATOM 954 CA GLY A 67 -6.432 -11.912 -2.538 1.00 0.00 C ATOM 955 C GLY A 67 -6.859 -10.463 -2.413 1.00 0.00 C ATOM 956 O GLY A 67 -6.916 -9.918 -1.311 1.00 0.00 O ATOM 0 H GLY A 67 -5.495 -11.656 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.828 -12.033 -3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.316 -12.538 -2.660 1.00 0.00 H new ATOM 960 N LYS A 68 -7.160 -9.840 -3.546 1.00 0.00 N ATOM 961 CA LYS A 68 -7.583 -8.445 -3.564 1.00 0.00 C ATOM 962 C LYS A 68 -8.942 -8.277 -2.892 1.00 0.00 C ATOM 963 O LYS A 68 -9.937 -8.852 -3.332 1.00 0.00 O ATOM 964 CB LYS A 68 -7.646 -7.927 -5.002 1.00 0.00 C ATOM 965 CG LYS A 68 -8.397 -6.613 -5.143 1.00 0.00 C ATOM 966 CD LYS A 68 -9.713 -6.800 -5.880 1.00 0.00 C ATOM 967 CE LYS A 68 -10.656 -5.633 -5.640 1.00 0.00 C ATOM 968 NZ LYS A 68 -10.167 -4.381 -6.281 1.00 0.00 N ATOM 0 H LYS A 68 -7.119 -10.280 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.849 -7.864 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.631 -7.798 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.125 -8.679 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.588 -6.194 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.777 -5.894 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.522 -6.901 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.187 -7.725 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.644 -5.879 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.768 -5.472 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.167 -3.611 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.200 -4.527 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.792 -4.130 -7.073 1.00 0.00 H new ATOM 982 N GLY A 69 -8.977 -7.486 -1.825 1.00 0.00 N ATOM 983 CA GLY A 69 -10.219 -7.255 -1.112 1.00 0.00 C ATOM 984 C GLY A 69 -10.202 -7.827 0.291 1.00 0.00 C ATOM 985 O GLY A 69 -11.121 -8.540 0.691 1.00 0.00 O ATOM 0 H GLY A 69 -8.166 -7.000 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.410 -6.183 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.042 -7.699 -1.671 1.00 0.00 H new ATOM 989 N PHE A 70 -9.152 -7.510 1.038 1.00 0.00 N ATOM 990 CA PHE A 70 -9.015 -7.994 2.407 1.00 0.00 C ATOM 991 C PHE A 70 -9.430 -6.923 3.407 1.00 0.00 C ATOM 992 O PHE A 70 -10.307 -7.142 4.243 1.00 0.00 O ATOM 993 CB PHE A 70 -7.573 -8.430 2.676 1.00 0.00 C ATOM 994 CG PHE A 70 -7.469 -9.716 3.444 1.00 0.00 C ATOM 995 CD1 PHE A 70 -8.259 -10.804 3.109 1.00 0.00 C ATOM 996 CD2 PHE A 70 -6.583 -9.835 4.502 1.00 0.00 C ATOM 997 CE1 PHE A 70 -8.166 -11.988 3.816 1.00 0.00 C ATOM 998 CE2 PHE A 70 -6.485 -11.017 5.212 1.00 0.00 C ATOM 999 CZ PHE A 70 -7.278 -12.094 4.869 1.00 0.00 C ATOM 0 H PHE A 70 -8.383 -6.920 0.720 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.675 -8.853 2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.052 -8.541 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.061 -7.643 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.955 -10.726 2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.962 -8.995 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.787 -12.829 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.789 -11.098 6.034 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.204 -13.018 5.423 1.00 0.00 H new