USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 10 SER OG : rot -15:sc= 0.234 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 135:sc= -3.21! (180deg=-3.76!) USER MOD Set 2.1: A 44 ASN : amide:sc= -0.755! C(o=-0.0019!,f=-2!) USER MOD Set 2.2: A 65 SER OG : rot -81:sc= 0.753 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 16 SER OG : rot -38:sc= -1.05 USER MOD Single : A 18 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.49) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -163:sc= 0 (180deg=-0.618) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -51:sc= 0.845 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0527 USER MOD Single : A 60 THR OG1 : rot 82:sc= 1.01! USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.51 K(o=-1.5,f=-6.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.553 F(o=-1.6,f=-0.55) USER MOD Single : A 69 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 12.887 -3.824 9.806 1.00 0.00 N ATOM 131 CA SER A 10 12.612 -5.241 9.962 1.00 0.00 C ATOM 132 C SER A 10 11.979 -5.815 8.697 1.00 0.00 C ATOM 133 O SER A 10 11.255 -5.119 7.984 1.00 0.00 O ATOM 134 CB SER A 10 11.694 -5.478 11.162 1.00 0.00 C ATOM 135 OG SER A 10 10.869 -4.352 11.405 1.00 0.00 O ATOM 0 HA SER A 10 13.559 -5.752 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.073 -6.355 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.295 -5.690 12.047 1.00 0.00 H new ATOM 0 HG SER A 10 11.221 -3.577 10.919 1.00 0.00 H new ATOM 141 N PRO A 11 12.243 -7.099 8.399 1.00 0.00 N ATOM 142 CA PRO A 11 11.696 -7.764 7.213 1.00 0.00 C ATOM 143 C PRO A 11 10.183 -7.932 7.283 1.00 0.00 C ATOM 144 O PRO A 11 9.521 -8.122 6.262 1.00 0.00 O ATOM 145 CB PRO A 11 12.387 -9.128 7.212 1.00 0.00 C ATOM 146 CG PRO A 11 12.770 -9.356 8.629 1.00 0.00 C ATOM 147 CD PRO A 11 13.095 -8.002 9.192 1.00 0.00 C ATOM 0 HA PRO A 11 11.874 -7.183 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.719 -9.910 6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.261 -9.129 6.560 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.956 -9.824 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.628 -10.024 8.699 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.866 -7.942 10.256 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.152 -7.761 9.080 1.00 0.00 H new ATOM 155 N ASP A 12 9.642 -7.861 8.492 1.00 0.00 N ATOM 156 CA ASP A 12 8.208 -8.004 8.698 1.00 0.00 C ATOM 157 C ASP A 12 7.457 -6.780 8.189 1.00 0.00 C ATOM 158 O ASP A 12 6.274 -6.859 7.856 1.00 0.00 O ATOM 159 CB ASP A 12 7.904 -8.229 10.177 1.00 0.00 C ATOM 160 CG ASP A 12 7.373 -9.622 10.454 1.00 0.00 C ATOM 161 OD1 ASP A 12 7.845 -10.578 9.803 1.00 0.00 O ATOM 162 OD2 ASP A 12 6.485 -9.757 11.323 1.00 0.00 O ATOM 0 H ASP A 12 10.177 -7.705 9.347 1.00 0.00 H new ATOM 0 HA ASP A 12 7.871 -8.872 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.811 -8.066 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.174 -7.492 10.511 1.00 0.00 H new ATOM 167 N ILE A 13 8.152 -5.653 8.125 1.00 0.00 N ATOM 168 CA ILE A 13 7.555 -4.416 7.652 1.00 0.00 C ATOM 169 C ILE A 13 7.459 -4.416 6.139 1.00 0.00 C ATOM 170 O ILE A 13 6.425 -4.072 5.566 1.00 0.00 O ATOM 171 CB ILE A 13 8.345 -3.185 8.109 1.00 0.00 C ATOM 172 CG1 ILE A 13 8.775 -3.329 9.571 1.00 0.00 C ATOM 173 CG2 ILE A 13 7.520 -1.922 7.914 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.620 -3.563 10.521 1.00 0.00 C ATOM 0 H ILE A 13 9.132 -5.572 8.396 1.00 0.00 H new ATOM 0 HA ILE A 13 6.556 -4.360 8.085 1.00 0.00 H new ATOM 0 HB ILE A 13 9.244 -3.107 7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.477 -4.158 9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.308 -2.428 9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.096 -1.057 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.269 -1.811 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.603 -1.992 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.999 -3.655 11.539 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.928 -2.723 10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.100 -4.480 10.243 1.00 0.00 H new ATOM 186 N GLU A 14 8.541 -4.825 5.502 1.00 0.00 N ATOM 187 CA GLU A 14 8.589 -4.899 4.052 1.00 0.00 C ATOM 188 C GLU A 14 7.661 -5.998 3.553 1.00 0.00 C ATOM 189 O GLU A 14 7.193 -5.963 2.415 1.00 0.00 O ATOM 190 CB GLU A 14 10.020 -5.157 3.574 1.00 0.00 C ATOM 191 CG GLU A 14 10.355 -4.471 2.260 1.00 0.00 C ATOM 192 CD GLU A 14 10.226 -5.399 1.068 1.00 0.00 C ATOM 193 OE1 GLU A 14 9.108 -5.901 0.824 1.00 0.00 O ATOM 194 OE2 GLU A 14 11.243 -5.626 0.379 1.00 0.00 O ATOM 0 H GLU A 14 9.402 -5.112 5.968 1.00 0.00 H new ATOM 0 HA GLU A 14 8.256 -3.944 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.717 -4.817 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.169 -6.231 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.694 -3.615 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.373 -4.084 2.306 1.00 0.00 H new ATOM 201 N GLN A 15 7.393 -6.968 4.421 1.00 0.00 N ATOM 202 CA GLN A 15 6.517 -8.072 4.083 1.00 0.00 C ATOM 203 C GLN A 15 5.070 -7.619 4.079 1.00 0.00 C ATOM 204 O GLN A 15 4.294 -7.969 3.189 1.00 0.00 O ATOM 205 CB GLN A 15 6.714 -9.213 5.059 1.00 0.00 C ATOM 206 CG GLN A 15 7.691 -10.250 4.551 1.00 0.00 C ATOM 207 CD GLN A 15 7.041 -11.269 3.635 1.00 0.00 C ATOM 208 OE1 GLN A 15 6.170 -10.933 2.832 1.00 0.00 O ATOM 209 NE2 GLN A 15 7.462 -12.523 3.751 1.00 0.00 N ATOM 0 H GLN A 15 7.774 -7.007 5.366 1.00 0.00 H new ATOM 0 HA GLN A 15 6.768 -8.423 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.072 -8.816 6.009 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.753 -9.689 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.499 -9.751 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.141 -10.765 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.186 -12.757 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.061 -13.252 3.161 1.00 0.00 H new ATOM 218 N SER A 16 4.723 -6.821 5.074 1.00 0.00 N ATOM 219 CA SER A 16 3.376 -6.289 5.189 1.00 0.00 C ATOM 220 C SER A 16 3.074 -5.372 4.011 1.00 0.00 C ATOM 221 O SER A 16 1.914 -5.132 3.675 1.00 0.00 O ATOM 222 CB SER A 16 3.212 -5.527 6.506 1.00 0.00 C ATOM 223 OG SER A 16 1.852 -5.476 6.900 1.00 0.00 O ATOM 0 H SER A 16 5.358 -6.526 5.816 1.00 0.00 H new ATOM 0 HA SER A 16 2.671 -7.121 5.180 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.802 -6.010 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.600 -4.514 6.395 1.00 0.00 H new ATOM 0 HG SER A 16 1.287 -5.350 6.109 1.00 0.00 H new ATOM 229 N PHE A 17 4.133 -4.866 3.382 1.00 0.00 N ATOM 230 CA PHE A 17 3.994 -3.982 2.238 1.00 0.00 C ATOM 231 C PHE A 17 3.455 -4.737 1.038 1.00 0.00 C ATOM 232 O PHE A 17 2.550 -4.267 0.347 1.00 0.00 O ATOM 233 CB PHE A 17 5.335 -3.339 1.900 1.00 0.00 C ATOM 234 CG PHE A 17 5.448 -1.907 2.337 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.192 -1.548 3.651 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.813 -0.921 1.435 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.299 -0.232 4.057 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.921 0.397 1.835 1.00 0.00 C ATOM 239 CZ PHE A 17 5.664 0.742 3.148 1.00 0.00 C ATOM 0 H PHE A 17 5.098 -5.057 3.650 1.00 0.00 H new ATOM 0 HA PHE A 17 3.283 -3.197 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.132 -3.916 2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.492 -3.394 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.906 -2.306 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.015 -1.186 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.098 0.035 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.206 1.157 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.748 1.772 3.463 1.00 0.00 H new ATOM 249 N GLN A 18 4.008 -5.914 0.801 1.00 0.00 N ATOM 250 CA GLN A 18 3.570 -6.740 -0.313 1.00 0.00 C ATOM 251 C GLN A 18 2.149 -7.225 -0.081 1.00 0.00 C ATOM 252 O GLN A 18 1.398 -7.460 -1.025 1.00 0.00 O ATOM 253 CB GLN A 18 4.502 -7.938 -0.511 1.00 0.00 C ATOM 254 CG GLN A 18 3.943 -8.983 -1.467 1.00 0.00 C ATOM 255 CD GLN A 18 4.999 -9.957 -1.952 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.112 -9.561 -2.301 1.00 0.00 O ATOM 257 NE2 GLN A 18 4.656 -11.239 -1.976 1.00 0.00 N ATOM 0 H GLN A 18 4.758 -6.319 1.362 1.00 0.00 H new ATOM 0 HA GLN A 18 3.599 -6.130 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.461 -7.585 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.693 -8.405 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.146 -9.536 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.495 -8.482 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.723 -11.523 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.326 -11.940 -2.293 1.00 0.00 H new ATOM 266 N GLU A 19 1.789 -7.374 1.185 1.00 0.00 N ATOM 267 CA GLU A 19 0.460 -7.830 1.544 1.00 0.00 C ATOM 268 C GLU A 19 -0.578 -6.777 1.200 1.00 0.00 C ATOM 269 O GLU A 19 -1.705 -7.099 0.831 1.00 0.00 O ATOM 270 CB GLU A 19 0.395 -8.182 3.028 1.00 0.00 C ATOM 271 CG GLU A 19 0.039 -9.635 3.294 1.00 0.00 C ATOM 272 CD GLU A 19 1.250 -10.546 3.271 1.00 0.00 C ATOM 273 OE1 GLU A 19 1.628 -11.004 2.173 1.00 0.00 O ATOM 274 OE2 GLU A 19 1.822 -10.801 4.352 1.00 0.00 O ATOM 0 H GLU A 19 2.401 -7.185 1.979 1.00 0.00 H new ATOM 0 HA GLU A 19 0.240 -8.729 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.359 -7.963 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.342 -7.542 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.451 -9.713 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.679 -9.972 2.546 1.00 0.00 H new ATOM 281 N ALA A 20 -0.186 -5.518 1.310 1.00 0.00 N ATOM 282 CA ALA A 20 -1.081 -4.421 0.995 1.00 0.00 C ATOM 283 C ALA A 20 -1.090 -4.158 -0.501 1.00 0.00 C ATOM 284 O ALA A 20 -2.100 -3.739 -1.067 1.00 0.00 O ATOM 285 CB ALA A 20 -0.690 -3.168 1.763 1.00 0.00 C ATOM 0 H ALA A 20 0.745 -5.233 1.615 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.089 -4.701 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.375 -2.358 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.741 -3.367 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.327 -2.880 1.496 1.00 0.00 H new ATOM 291 N LEU A 21 0.041 -4.422 -1.137 1.00 0.00 N ATOM 292 CA LEU A 21 0.171 -4.234 -2.568 1.00 0.00 C ATOM 293 C LEU A 21 -0.389 -5.439 -3.311 1.00 0.00 C ATOM 294 O LEU A 21 -0.887 -5.318 -4.430 1.00 0.00 O ATOM 295 CB LEU A 21 1.631 -3.999 -2.948 1.00 0.00 C ATOM 296 CG LEU A 21 1.931 -2.621 -3.540 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.239 -2.456 -4.884 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.501 -1.524 -2.577 1.00 0.00 C ATOM 0 H LEU A 21 0.884 -4.769 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.402 -3.352 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.249 -4.139 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.930 -4.760 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 21 3.007 -2.539 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.464 -1.470 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.595 -3.222 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.162 -2.558 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.721 -0.550 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.430 -1.604 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.043 -1.632 -1.637 1.00 0.00 H new ATOM 310 N SER A 22 -0.316 -6.599 -2.670 1.00 0.00 N ATOM 311 CA SER A 22 -0.828 -7.824 -3.255 1.00 0.00 C ATOM 312 C SER A 22 -2.342 -7.866 -3.127 1.00 0.00 C ATOM 313 O SER A 22 -3.040 -8.405 -3.986 1.00 0.00 O ATOM 314 CB SER A 22 -0.206 -9.046 -2.577 1.00 0.00 C ATOM 315 OG SER A 22 -0.717 -10.249 -3.124 1.00 0.00 O ATOM 0 H SER A 22 0.094 -6.713 -1.743 1.00 0.00 H new ATOM 0 HA SER A 22 -0.560 -7.844 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.877 -9.020 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.409 -9.015 -1.507 1.00 0.00 H new ATOM 0 HG SER A 22 -0.302 -11.015 -2.675 1.00 0.00 H new ATOM 321 N ILE A 23 -2.839 -7.283 -2.045 1.00 0.00 N ATOM 322 CA ILE A 23 -4.269 -7.236 -1.789 1.00 0.00 C ATOM 323 C ILE A 23 -4.915 -6.078 -2.535 1.00 0.00 C ATOM 324 O ILE A 23 -6.011 -6.201 -3.082 1.00 0.00 O ATOM 325 CB ILE A 23 -4.567 -7.118 -0.276 1.00 0.00 C ATOM 326 CG1 ILE A 23 -5.784 -7.968 0.092 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.778 -5.668 0.144 1.00 0.00 C ATOM 328 CD1 ILE A 23 -5.728 -8.527 1.497 1.00 0.00 C ATOM 0 H ILE A 23 -2.269 -6.834 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.695 -8.172 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.698 -7.492 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.685 -7.364 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.868 -8.793 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.985 -5.625 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.879 -5.091 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.621 -5.249 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.623 -9.119 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.846 -9.158 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.675 -7.707 2.213 1.00 0.00 H new ATOM 340 N TYR A 24 -4.218 -4.954 -2.541 1.00 0.00 N ATOM 341 CA TYR A 24 -4.697 -3.754 -3.205 1.00 0.00 C ATOM 342 C TYR A 24 -3.954 -3.509 -4.517 1.00 0.00 C ATOM 343 O TYR A 24 -3.091 -2.634 -4.597 1.00 0.00 O ATOM 344 CB TYR A 24 -4.553 -2.547 -2.291 1.00 0.00 C ATOM 345 CG TYR A 24 -5.196 -2.728 -0.935 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.551 -3.013 -0.820 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.448 -2.615 0.229 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.142 -3.180 0.418 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.031 -2.780 1.471 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.378 -3.063 1.560 1.00 0.00 C ATOM 351 OH TYR A 24 -6.962 -3.228 2.795 1.00 0.00 O ATOM 0 H TYR A 24 -3.310 -4.848 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.752 -3.902 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.493 -2.331 -2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.995 -1.678 -2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.152 -3.106 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.393 -2.394 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.197 -3.401 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.435 -2.688 2.367 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.285 -3.114 3.495 1.00 0.00 H new ATOM 361 N PRO A 25 -4.283 -4.279 -5.568 1.00 0.00 N ATOM 362 CA PRO A 25 -3.647 -4.142 -6.881 1.00 0.00 C ATOM 363 C PRO A 25 -3.972 -2.807 -7.545 1.00 0.00 C ATOM 364 O PRO A 25 -4.988 -2.183 -7.239 1.00 0.00 O ATOM 365 CB PRO A 25 -4.241 -5.298 -7.686 1.00 0.00 C ATOM 366 CG PRO A 25 -5.530 -5.599 -7.020 1.00 0.00 C ATOM 367 CD PRO A 25 -5.300 -5.343 -5.563 1.00 0.00 C ATOM 0 HA PRO A 25 -2.560 -4.168 -6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.390 -5.018 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.580 -6.165 -7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.329 -4.967 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.829 -6.633 -7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.213 -5.025 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.947 -6.236 -5.048 1.00 0.00 H new ATOM 375 N PRO A 26 -3.109 -2.349 -8.468 1.00 0.00 N ATOM 376 CA PRO A 26 -3.313 -1.081 -9.175 1.00 0.00 C ATOM 377 C PRO A 26 -4.638 -1.039 -9.927 1.00 0.00 C ATOM 378 O PRO A 26 -5.149 0.034 -10.247 1.00 0.00 O ATOM 379 CB PRO A 26 -2.144 -1.011 -10.155 1.00 0.00 C ATOM 380 CG PRO A 26 -1.121 -1.957 -9.625 1.00 0.00 C ATOM 381 CD PRO A 26 -1.876 -3.030 -8.893 1.00 0.00 C ATOM 0 HA PRO A 26 -3.350 -0.241 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.457 -1.295 -11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.746 0.002 -10.219 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.529 -2.382 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.428 -1.445 -8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.090 -3.882 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.312 -3.408 -8.041 1.00 0.00 H new ATOM 389 N CYS A 27 -5.188 -2.213 -10.205 1.00 0.00 N ATOM 390 CA CYS A 27 -6.450 -2.318 -10.917 1.00 0.00 C ATOM 391 C CYS A 27 -7.096 -3.681 -10.687 1.00 0.00 C ATOM 392 O CYS A 27 -6.509 -4.558 -10.053 1.00 0.00 O ATOM 393 CB CYS A 27 -6.233 -2.087 -12.408 1.00 0.00 C ATOM 394 SG CYS A 27 -7.321 -0.836 -13.129 1.00 0.00 S ATOM 0 H CYS A 27 -4.776 -3.109 -9.946 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.122 -1.552 -10.531 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.197 -1.789 -12.571 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.381 -3.029 -12.936 1.00 0.00 H new ATOM 0 HG CYS A 27 -7.059 -0.711 -14.396 1.00 0.00 H new ATOM 400 N GLY A 28 -8.307 -3.852 -11.208 1.00 0.00 N ATOM 401 CA GLY A 28 -9.011 -5.111 -11.050 1.00 0.00 C ATOM 402 C GLY A 28 -10.209 -4.996 -10.128 1.00 0.00 C ATOM 403 O GLY A 28 -11.272 -5.548 -10.410 1.00 0.00 O ATOM 0 H GLY A 28 -8.813 -3.141 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.341 -5.464 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.324 -5.860 -10.656 1.00 0.00 H new ATOM 407 N ARG A 29 -10.038 -4.276 -9.024 1.00 0.00 N ATOM 408 CA ARG A 29 -11.112 -4.091 -8.060 1.00 0.00 C ATOM 409 C ARG A 29 -10.858 -2.866 -7.187 1.00 0.00 C ATOM 410 O ARG A 29 -9.763 -2.304 -7.190 1.00 0.00 O ATOM 411 CB ARG A 29 -11.264 -5.336 -7.185 1.00 0.00 C ATOM 412 CG ARG A 29 -11.869 -6.523 -7.916 1.00 0.00 C ATOM 413 CD ARG A 29 -12.285 -7.620 -6.949 1.00 0.00 C ATOM 414 NE ARG A 29 -12.383 -8.921 -7.606 1.00 0.00 N ATOM 415 CZ ARG A 29 -12.393 -10.082 -6.955 1.00 0.00 C ATOM 416 NH1 ARG A 29 -12.313 -10.108 -5.630 1.00 0.00 N ATOM 417 NH2 ARG A 29 -12.486 -11.220 -7.629 1.00 0.00 N ATOM 0 H ARG A 29 -9.164 -3.811 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.037 -3.932 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.285 -5.619 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.889 -5.092 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.735 -6.195 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.146 -6.920 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.563 -7.679 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.247 -7.365 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.448 -8.941 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.243 -9.236 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.321 -11.000 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.550 -11.206 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.494 -12.109 -7.130 1.00 0.00 H new ATOM 431 N ARG A 30 -11.878 -2.460 -6.437 1.00 0.00 N ATOM 432 CA ARG A 30 -11.770 -1.310 -5.557 1.00 0.00 C ATOM 433 C ARG A 30 -12.511 -1.558 -4.246 1.00 0.00 C ATOM 434 O ARG A 30 -13.699 -1.261 -4.127 1.00 0.00 O ATOM 435 CB ARG A 30 -12.320 -0.058 -6.244 1.00 0.00 C ATOM 436 CG ARG A 30 -11.469 1.181 -6.022 1.00 0.00 C ATOM 437 CD ARG A 30 -10.038 0.967 -6.489 1.00 0.00 C ATOM 438 NE ARG A 30 -9.518 2.127 -7.209 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.803 2.399 -8.481 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.603 1.599 -9.175 1.00 0.00 N ATOM 441 NH2 ARG A 30 -9.288 3.475 -9.060 1.00 0.00 N ATOM 0 H ARG A 30 -12.791 -2.915 -6.424 1.00 0.00 H new ATOM 0 HA ARG A 30 -10.715 -1.154 -5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.400 -0.247 -7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.329 0.134 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.905 2.024 -6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.472 1.441 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.403 0.760 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.995 0.090 -7.135 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.901 2.766 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.003 0.771 -8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.818 1.813 -10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.674 4.094 -8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.506 3.684 -10.034 1.00 0.00 H new ATOM 455 N LYS A 31 -11.801 -2.107 -3.266 1.00 0.00 N ATOM 456 CA LYS A 31 -12.389 -2.399 -1.966 1.00 0.00 C ATOM 457 C LYS A 31 -12.707 -1.115 -1.205 1.00 0.00 C ATOM 458 O LYS A 31 -11.811 -0.334 -0.885 1.00 0.00 O ATOM 459 CB LYS A 31 -11.443 -3.273 -1.140 1.00 0.00 C ATOM 460 CG LYS A 31 -11.563 -4.757 -1.447 1.00 0.00 C ATOM 461 CD LYS A 31 -12.984 -5.256 -1.240 1.00 0.00 C ATOM 462 CE LYS A 31 -13.007 -6.714 -0.813 1.00 0.00 C ATOM 463 NZ LYS A 31 -13.152 -6.860 0.661 1.00 0.00 N ATOM 0 H LYS A 31 -10.816 -2.359 -3.349 1.00 0.00 H new ATOM 0 HA LYS A 31 -13.321 -2.938 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.416 -2.955 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.644 -3.112 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.258 -4.942 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.882 -5.318 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.478 -4.647 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.550 -5.138 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.831 -7.225 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.088 -7.201 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.163 -7.870 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.352 -6.395 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.042 -6.418 0.968 1.00 0.00 H new ATOM 477 N ILE A 32 -13.987 -0.907 -0.914 1.00 0.00 N ATOM 478 CA ILE A 32 -14.426 0.273 -0.189 1.00 0.00 C ATOM 479 C ILE A 32 -15.573 -0.068 0.758 1.00 0.00 C ATOM 480 O ILE A 32 -16.662 -0.439 0.322 1.00 0.00 O ATOM 481 CB ILE A 32 -14.876 1.412 -1.134 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.724 1.013 -2.606 1.00 0.00 C ATOM 483 CG2 ILE A 32 -14.087 2.681 -0.846 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.838 0.121 -3.109 1.00 0.00 C ATOM 0 H ILE A 32 -14.739 -1.546 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.564 0.621 0.381 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.933 1.601 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.688 1.915 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.771 0.500 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.415 3.474 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.256 2.988 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.025 2.491 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.665 -0.121 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.861 -0.798 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.792 0.639 -3.009 1.00 0.00 H new ATOM 496 N ILE A 33 -15.319 0.057 2.057 1.00 0.00 N ATOM 497 CA ILE A 33 -16.329 -0.240 3.064 1.00 0.00 C ATOM 498 C ILE A 33 -17.378 0.864 3.135 1.00 0.00 C ATOM 499 O ILE A 33 -17.353 1.702 4.038 1.00 0.00 O ATOM 500 CB ILE A 33 -15.715 -0.435 4.460 1.00 0.00 C ATOM 501 CG1 ILE A 33 -14.303 -1.020 4.363 1.00 0.00 C ATOM 502 CG2 ILE A 33 -16.607 -1.330 5.308 1.00 0.00 C ATOM 503 CD1 ILE A 33 -13.210 0.019 4.494 1.00 0.00 C ATOM 0 H ILE A 33 -14.422 0.362 2.436 1.00 0.00 H new ATOM 0 HA ILE A 33 -16.800 -1.174 2.757 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.641 0.541 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.175 -1.771 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.195 -1.531 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -16.160 -1.460 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.590 -0.870 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -16.711 -2.302 4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.237 -0.465 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -13.313 0.757 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.293 0.514 5.462 1.00 0.00 H new ATOM 515 N LEU A 34 -18.299 0.862 2.177 1.00 0.00 N ATOM 516 CA LEU A 34 -19.354 1.861 2.130 1.00 0.00 C ATOM 517 C LEU A 34 -20.528 1.467 3.022 1.00 0.00 C ATOM 518 O LEU A 34 -21.308 2.317 3.449 1.00 0.00 O ATOM 519 CB LEU A 34 -19.828 2.064 0.692 1.00 0.00 C ATOM 520 CG LEU A 34 -19.544 3.450 0.106 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.440 3.376 -0.938 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.808 4.046 -0.497 1.00 0.00 C ATOM 0 H LEU A 34 -18.334 0.177 1.422 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.945 2.799 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.352 1.314 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.902 1.882 0.650 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.209 4.100 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.254 4.371 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.529 2.995 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.746 2.709 -1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.586 5.031 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.174 3.395 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.571 4.139 0.276 1.00 0.00 H new ATOM 534 N SER A 35 -20.647 0.174 3.298 1.00 0.00 N ATOM 535 CA SER A 35 -21.726 -0.331 4.138 1.00 0.00 C ATOM 536 C SER A 35 -21.628 0.228 5.554 1.00 0.00 C ATOM 537 O SER A 35 -22.624 0.300 6.273 1.00 0.00 O ATOM 538 CB SER A 35 -21.701 -1.858 4.173 1.00 0.00 C ATOM 539 OG SER A 35 -22.891 -2.400 3.627 1.00 0.00 O ATOM 0 H SER A 35 -20.010 -0.544 2.953 1.00 0.00 H new ATOM 0 HA SER A 35 -22.671 -0.001 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 35 -20.841 -2.224 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 35 -21.580 -2.199 5.201 1.00 0.00 H new ATOM 0 HG SER A 35 -22.850 -3.379 3.659 1.00 0.00 H new ATOM 545 N ASP A 36 -20.423 0.621 5.945 1.00 0.00 N ATOM 546 CA ASP A 36 -20.192 1.172 7.271 1.00 0.00 C ATOM 547 C ASP A 36 -20.665 2.620 7.351 1.00 0.00 C ATOM 548 O ASP A 36 -21.631 2.930 8.048 1.00 0.00 O ATOM 549 CB ASP A 36 -18.707 1.088 7.631 1.00 0.00 C ATOM 550 CG ASP A 36 -18.484 0.839 9.110 1.00 0.00 C ATOM 551 OD1 ASP A 36 -18.746 -0.293 9.568 1.00 0.00 O ATOM 552 OD2 ASP A 36 -18.046 1.776 9.810 1.00 0.00 O ATOM 0 H ASP A 36 -19.589 0.568 5.360 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.766 0.582 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -18.241 0.287 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -18.213 2.016 7.343 1.00 0.00 H new ATOM 557 N GLU A 37 -19.976 3.502 6.633 1.00 0.00 N ATOM 558 CA GLU A 37 -20.321 4.913 6.622 1.00 0.00 C ATOM 559 C GLU A 37 -20.832 5.350 5.252 1.00 0.00 C ATOM 560 O GLU A 37 -21.579 6.322 5.139 1.00 0.00 O ATOM 561 CB GLU A 37 -19.114 5.758 7.028 1.00 0.00 C ATOM 562 CG GLU A 37 -19.327 6.543 8.308 1.00 0.00 C ATOM 563 CD GLU A 37 -19.223 8.042 8.100 1.00 0.00 C ATOM 564 OE1 GLU A 37 -18.102 8.580 8.211 1.00 0.00 O ATOM 565 OE2 GLU A 37 -20.263 8.677 7.826 1.00 0.00 O ATOM 0 H GLU A 37 -19.174 3.260 6.051 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.122 5.066 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.249 5.106 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.878 6.452 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.309 6.304 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.590 6.231 9.048 1.00 0.00 H new ATOM 572 N GLY A 38 -20.427 4.626 4.216 1.00 0.00 N ATOM 573 CA GLY A 38 -20.853 4.950 2.870 1.00 0.00 C ATOM 574 C GLY A 38 -20.127 6.152 2.290 1.00 0.00 C ATOM 575 O GLY A 38 -20.384 6.545 1.152 1.00 0.00 O ATOM 0 H GLY A 38 -19.809 3.818 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.688 4.087 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.925 5.146 2.872 1.00 0.00 H new ATOM 579 N LYS A 39 -19.209 6.729 3.062 1.00 0.00 N ATOM 580 CA LYS A 39 -18.442 7.870 2.609 1.00 0.00 C ATOM 581 C LYS A 39 -17.037 7.822 3.191 1.00 0.00 C ATOM 582 O LYS A 39 -16.778 8.352 4.271 1.00 0.00 O ATOM 583 CB LYS A 39 -19.135 9.175 3.008 1.00 0.00 C ATOM 584 CG LYS A 39 -20.086 9.707 1.949 1.00 0.00 C ATOM 585 CD LYS A 39 -20.235 11.217 2.043 1.00 0.00 C ATOM 586 CE LYS A 39 -18.961 11.929 1.618 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.036 12.410 0.211 1.00 0.00 N ATOM 0 H LYS A 39 -18.983 6.418 4.007 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.375 7.833 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.688 9.015 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.377 9.930 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.718 9.437 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -21.062 9.236 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -21.063 11.542 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.485 11.496 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.779 12.775 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.114 11.252 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.148 12.890 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.184 11.601 -0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.829 13.076 0.114 1.00 0.00 H new ATOM 601 N MET A 40 -16.137 7.192 2.458 1.00 0.00 N ATOM 602 CA MET A 40 -14.753 7.073 2.877 1.00 0.00 C ATOM 603 C MET A 40 -13.828 7.026 1.667 1.00 0.00 C ATOM 604 O MET A 40 -13.476 5.951 1.182 1.00 0.00 O ATOM 605 CB MET A 40 -14.559 5.822 3.736 1.00 0.00 C ATOM 606 CG MET A 40 -13.464 5.965 4.780 1.00 0.00 C ATOM 607 SD MET A 40 -12.754 4.379 5.263 1.00 0.00 S ATOM 608 CE MET A 40 -14.233 3.461 5.686 1.00 0.00 C ATOM 0 H MET A 40 -16.343 6.751 1.562 1.00 0.00 H new ATOM 0 HA MET A 40 -14.501 7.950 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.498 5.586 4.236 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.323 4.979 3.087 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.675 6.608 4.388 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.870 6.460 5.662 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.962 2.588 6.279 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.904 4.098 6.263 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.734 3.138 4.774 1.00 0.00 H new ATOM 618 N TYR A 41 -13.440 8.199 1.186 1.00 0.00 N ATOM 619 CA TYR A 41 -12.559 8.298 0.035 1.00 0.00 C ATOM 620 C TYR A 41 -11.097 8.353 0.467 1.00 0.00 C ATOM 621 O TYR A 41 -10.512 9.430 0.578 1.00 0.00 O ATOM 622 CB TYR A 41 -12.910 9.530 -0.797 1.00 0.00 C ATOM 623 CG TYR A 41 -13.368 9.203 -2.200 1.00 0.00 C ATOM 624 CD1 TYR A 41 -14.651 8.725 -2.439 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.518 9.373 -3.286 1.00 0.00 C ATOM 626 CE1 TYR A 41 -15.073 8.425 -3.720 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.933 9.075 -4.570 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.211 8.602 -4.782 1.00 0.00 C ATOM 629 OH TYR A 41 -14.627 8.304 -6.059 1.00 0.00 O ATOM 0 H TYR A 41 -13.724 9.097 1.578 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.700 7.406 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.695 10.090 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.038 10.182 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.329 8.586 -1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.517 9.744 -3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.073 8.054 -3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.260 9.212 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.900 8.486 -6.691 1.00 0.00 H new ATOM 639 N GLY A 42 -10.512 7.184 0.705 1.00 0.00 N ATOM 640 CA GLY A 42 -9.127 7.118 1.116 1.00 0.00 C ATOM 641 C GLY A 42 -8.471 5.806 0.736 1.00 0.00 C ATOM 642 O GLY A 42 -8.675 4.789 1.399 1.00 0.00 O ATOM 0 H GLY A 42 -10.976 6.280 0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.577 7.941 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.065 7.252 2.196 1.00 0.00 H new ATOM 646 N ARG A 43 -7.683 5.826 -0.334 1.00 0.00 N ATOM 647 CA ARG A 43 -7.000 4.630 -0.798 1.00 0.00 C ATOM 648 C ARG A 43 -5.701 4.409 -0.035 1.00 0.00 C ATOM 649 O ARG A 43 -5.286 3.273 0.194 1.00 0.00 O ATOM 650 CB ARG A 43 -6.723 4.722 -2.297 1.00 0.00 C ATOM 651 CG ARG A 43 -7.420 3.644 -3.111 1.00 0.00 C ATOM 652 CD ARG A 43 -6.995 3.685 -4.570 1.00 0.00 C ATOM 653 NE ARG A 43 -5.714 3.017 -4.786 1.00 0.00 N ATOM 654 CZ ARG A 43 -5.570 1.696 -4.865 1.00 0.00 C ATOM 655 NH1 ARG A 43 -6.625 0.899 -4.747 1.00 0.00 N ATOM 656 NH2 ARG A 43 -4.369 1.171 -5.063 1.00 0.00 N ATOM 0 H ARG A 43 -7.503 6.659 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.653 3.777 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.041 5.700 -2.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.648 4.654 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.191 2.664 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.500 3.775 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.760 3.209 -5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.923 4.722 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.881 3.597 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.551 1.298 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.509 -0.113 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.555 1.779 -5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.259 0.159 -5.124 1.00 0.00 H new ATOM 670 N ASN A 44 -5.067 5.504 0.355 1.00 0.00 N ATOM 671 CA ASN A 44 -3.815 5.440 1.094 1.00 0.00 C ATOM 672 C ASN A 44 -4.054 5.017 2.537 1.00 0.00 C ATOM 673 O ASN A 44 -3.165 4.473 3.192 1.00 0.00 O ATOM 674 CB ASN A 44 -3.100 6.789 1.049 1.00 0.00 C ATOM 675 CG ASN A 44 -1.795 6.729 0.281 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.631 5.911 -0.624 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.857 7.598 0.638 1.00 0.00 N ATOM 0 H ASN A 44 -5.400 6.451 0.172 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.181 4.690 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.755 7.529 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.904 7.127 2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.042 7.605 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.035 8.259 1.394 1.00 0.00 H new ATOM 684 N GLU A 45 -5.261 5.262 3.024 1.00 0.00 N ATOM 685 CA GLU A 45 -5.618 4.896 4.383 1.00 0.00 C ATOM 686 C GLU A 45 -5.943 3.410 4.467 1.00 0.00 C ATOM 687 O GLU A 45 -5.849 2.802 5.533 1.00 0.00 O ATOM 688 CB GLU A 45 -6.808 5.726 4.867 1.00 0.00 C ATOM 689 CG GLU A 45 -6.425 7.115 5.351 1.00 0.00 C ATOM 690 CD GLU A 45 -7.411 8.178 4.910 1.00 0.00 C ATOM 691 OE1 GLU A 45 -7.275 8.680 3.774 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.320 8.509 5.700 1.00 0.00 O ATOM 0 H GLU A 45 -6.009 5.713 2.497 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.765 5.103 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.529 5.819 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.307 5.193 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.362 7.112 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.433 7.366 4.975 1.00 0.00 H new ATOM 699 N LEU A 46 -6.321 2.830 3.333 1.00 0.00 N ATOM 700 CA LEU A 46 -6.655 1.418 3.273 1.00 0.00 C ATOM 701 C LEU A 46 -5.398 0.563 3.285 1.00 0.00 C ATOM 702 O LEU A 46 -5.355 -0.491 3.919 1.00 0.00 O ATOM 703 CB LEU A 46 -7.489 1.116 2.029 1.00 0.00 C ATOM 704 CG LEU A 46 -8.855 0.485 2.301 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.662 0.388 1.015 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.690 -0.889 2.933 1.00 0.00 C ATOM 0 H LEU A 46 -6.403 3.320 2.442 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.245 1.173 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.638 2.044 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.920 0.448 1.382 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.397 1.122 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.631 -0.063 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.809 1.386 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.125 -0.228 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.672 -1.324 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.130 -1.535 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.150 -0.794 3.875 1.00 0.00 H new ATOM 718 N ILE A 47 -4.375 1.028 2.586 1.00 0.00 N ATOM 719 CA ILE A 47 -3.117 0.314 2.523 1.00 0.00 C ATOM 720 C ILE A 47 -2.346 0.483 3.818 1.00 0.00 C ATOM 721 O ILE A 47 -1.682 -0.440 4.288 1.00 0.00 O ATOM 722 CB ILE A 47 -2.240 0.778 1.342 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.455 2.263 1.039 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.521 -0.064 0.108 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.227 2.948 0.478 1.00 0.00 C ATOM 0 H ILE A 47 -4.395 1.898 2.055 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.359 -0.738 2.370 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.197 0.643 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.275 2.366 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.760 2.772 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.894 0.277 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.301 -1.110 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.570 0.036 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.451 3.997 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.410 2.876 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.934 2.464 -0.454 1.00 0.00 H new ATOM 737 N ALA A 48 -2.452 1.668 4.395 1.00 0.00 N ATOM 738 CA ALA A 48 -1.781 1.965 5.646 1.00 0.00 C ATOM 739 C ALA A 48 -2.495 1.296 6.808 1.00 0.00 C ATOM 740 O ALA A 48 -1.883 0.975 7.827 1.00 0.00 O ATOM 741 CB ALA A 48 -1.689 3.468 5.860 1.00 0.00 C ATOM 0 H ALA A 48 -2.998 2.441 4.015 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.768 1.566 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.183 3.671 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.126 3.918 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.692 3.894 5.888 1.00 0.00 H new ATOM 747 N ARG A 49 -3.792 1.069 6.642 1.00 0.00 N ATOM 748 CA ARG A 49 -4.581 0.415 7.671 1.00 0.00 C ATOM 749 C ARG A 49 -4.225 -1.061 7.736 1.00 0.00 C ATOM 750 O ARG A 49 -4.328 -1.694 8.787 1.00 0.00 O ATOM 751 CB ARG A 49 -6.077 0.591 7.400 1.00 0.00 C ATOM 752 CG ARG A 49 -6.967 -0.079 8.434 1.00 0.00 C ATOM 753 CD ARG A 49 -8.355 -0.359 7.881 1.00 0.00 C ATOM 754 NE ARG A 49 -9.365 0.522 8.464 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.581 1.772 8.060 1.00 0.00 C ATOM 756 NH1 ARG A 49 -8.862 2.293 7.074 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.520 2.503 8.645 1.00 0.00 N ATOM 0 H ARG A 49 -4.316 1.328 5.806 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.353 0.878 8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.309 1.656 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.309 0.185 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.509 -1.013 8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.047 0.559 9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.346 -0.233 6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.622 -1.397 8.079 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.938 0.158 9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.138 1.735 6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.033 3.251 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.076 2.107 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.687 3.461 8.337 1.00 0.00 H new ATOM 771 N TYR A 50 -3.790 -1.600 6.603 1.00 0.00 N ATOM 772 CA TYR A 50 -3.398 -2.995 6.524 1.00 0.00 C ATOM 773 C TYR A 50 -2.118 -3.231 7.297 1.00 0.00 C ATOM 774 O TYR A 50 -2.049 -4.098 8.169 1.00 0.00 O ATOM 775 CB TYR A 50 -3.202 -3.410 5.077 1.00 0.00 C ATOM 776 CG TYR A 50 -3.283 -4.903 4.862 1.00 0.00 C ATOM 777 CD1 TYR A 50 -2.203 -5.721 5.165 1.00 0.00 C ATOM 778 CD2 TYR A 50 -4.435 -5.495 4.360 1.00 0.00 C ATOM 779 CE1 TYR A 50 -2.266 -7.086 4.974 1.00 0.00 C ATOM 780 CE2 TYR A 50 -4.507 -6.862 4.167 1.00 0.00 C ATOM 781 CZ TYR A 50 -3.420 -7.653 4.475 1.00 0.00 C ATOM 782 OH TYR A 50 -3.488 -9.014 4.284 1.00 0.00 O ATOM 0 H TYR A 50 -3.701 -1.087 5.726 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.194 -3.596 6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.957 -2.921 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.231 -3.054 4.733 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.298 -5.281 5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.287 -4.878 4.117 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.416 -7.707 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.410 -7.308 3.777 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.370 -9.251 3.928 1.00 0.00 H new ATOM 792 N ILE A 51 -1.110 -2.447 6.969 1.00 0.00 N ATOM 793 CA ILE A 51 0.181 -2.553 7.628 1.00 0.00 C ATOM 794 C ILE A 51 0.050 -2.256 9.115 1.00 0.00 C ATOM 795 O ILE A 51 0.796 -2.789 9.936 1.00 0.00 O ATOM 796 CB ILE A 51 1.241 -1.612 7.010 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.591 -0.469 6.224 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.187 -2.401 6.116 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.514 0.708 5.994 1.00 0.00 C ATOM 0 H ILE A 51 -1.158 -1.727 6.248 1.00 0.00 H new ATOM 0 HA ILE A 51 0.519 -3.579 7.483 1.00 0.00 H new ATOM 0 HB ILE A 51 1.810 -1.168 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.252 -0.848 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.294 -0.127 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.929 -1.727 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.691 -3.167 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.620 -2.874 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.987 1.479 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.833 1.113 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.388 0.381 5.430 1.00 0.00 H new ATOM 811 N LYS A 52 -0.912 -1.409 9.453 1.00 0.00 N ATOM 812 CA LYS A 52 -1.156 -1.045 10.840 1.00 0.00 C ATOM 813 C LYS A 52 -1.783 -2.209 11.599 1.00 0.00 C ATOM 814 O LYS A 52 -1.620 -2.335 12.812 1.00 0.00 O ATOM 815 CB LYS A 52 -2.065 0.184 10.917 1.00 0.00 C ATOM 816 CG LYS A 52 -2.326 0.658 12.338 1.00 0.00 C ATOM 817 CD LYS A 52 -1.168 1.485 12.871 1.00 0.00 C ATOM 818 CE LYS A 52 -1.479 2.059 14.244 1.00 0.00 C ATOM 819 NZ LYS A 52 -2.131 3.395 14.153 1.00 0.00 N ATOM 0 H LYS A 52 -1.537 -0.961 8.783 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.199 -0.804 11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.613 0.997 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.017 -0.048 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.240 1.252 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.488 -0.203 12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.273 0.865 12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.949 2.297 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.131 1.373 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.557 2.143 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.327 3.752 15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.499 4.057 13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.024 3.311 13.626 1.00 0.00 H new ATOM 833 N LEU A 53 -2.501 -3.055 10.871 1.00 0.00 N ATOM 834 CA LEU A 53 -3.157 -4.212 11.462 1.00 0.00 C ATOM 835 C LEU A 53 -2.213 -5.412 11.528 1.00 0.00 C ATOM 836 O LEU A 53 -2.471 -6.375 12.251 1.00 0.00 O ATOM 837 CB LEU A 53 -4.410 -4.574 10.659 1.00 0.00 C ATOM 838 CG LEU A 53 -5.729 -4.450 11.426 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.734 -3.627 10.634 1.00 0.00 C ATOM 840 CD2 LEU A 53 -6.296 -5.827 11.740 1.00 0.00 C ATOM 0 H LEU A 53 -2.644 -2.960 9.866 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.444 -3.952 12.481 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.457 -3.932 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.310 -5.599 10.301 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.531 -3.937 12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.665 -3.550 11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.331 -2.629 10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.927 -4.111 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.234 -5.719 12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.477 -6.366 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.584 -6.383 12.349 1.00 0.00 H new ATOM 852 N ARG A 54 -1.124 -5.353 10.765 1.00 0.00 N ATOM 853 CA ARG A 54 -0.147 -6.438 10.733 1.00 0.00 C ATOM 854 C ARG A 54 0.282 -6.847 12.135 1.00 0.00 C ATOM 855 O ARG A 54 0.120 -7.999 12.539 1.00 0.00 O ATOM 856 CB ARG A 54 1.078 -6.023 9.915 1.00 0.00 C ATOM 857 CG ARG A 54 1.771 -7.187 9.225 1.00 0.00 C ATOM 858 CD ARG A 54 2.176 -8.263 10.219 1.00 0.00 C ATOM 859 NE ARG A 54 2.951 -9.329 9.587 1.00 0.00 N ATOM 860 CZ ARG A 54 3.687 -10.209 10.261 1.00 0.00 C ATOM 861 NH1 ARG A 54 3.752 -10.154 11.586 1.00 0.00 N ATOM 862 NH2 ARG A 54 4.361 -11.146 9.609 1.00 0.00 N ATOM 0 H ARG A 54 -0.896 -4.564 10.160 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.624 -7.298 10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.773 -5.295 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.791 -5.524 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.106 -7.615 8.475 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.654 -6.826 8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.763 -7.814 11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.283 -8.687 10.678 1.00 0.00 H new ATOM 0 HE ARG A 54 2.926 -9.403 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.236 -9.434 12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.318 -10.831 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.315 -11.192 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.925 -11.821 10.125 1.00 0.00 H new ATOM 876 N THR A 55 0.831 -5.895 12.865 1.00 0.00 N ATOM 877 CA THR A 55 1.293 -6.138 14.223 1.00 0.00 C ATOM 878 C THR A 55 1.493 -4.827 14.978 1.00 0.00 C ATOM 879 O THR A 55 2.350 -4.731 15.857 1.00 0.00 O ATOM 880 CB THR A 55 2.598 -6.934 14.201 1.00 0.00 C ATOM 881 OG1 THR A 55 2.993 -7.287 15.515 1.00 0.00 O ATOM 882 CG2 THR A 55 3.747 -6.185 13.560 1.00 0.00 C ATOM 0 H THR A 55 0.970 -4.938 12.539 1.00 0.00 H new ATOM 0 HA THR A 55 0.529 -6.717 14.742 1.00 0.00 H new ATOM 0 HB THR A 55 2.385 -7.819 13.602 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.983 -6.490 16.085 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.642 -6.807 13.578 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.493 -5.944 12.528 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.934 -5.264 14.112 1.00 0.00 H new ATOM 890 N GLY A 56 0.698 -3.821 14.630 1.00 0.00 N ATOM 891 CA GLY A 56 0.804 -2.531 15.284 1.00 0.00 C ATOM 892 C GLY A 56 2.127 -1.837 15.009 1.00 0.00 C ATOM 893 O GLY A 56 2.458 -0.845 15.659 1.00 0.00 O ATOM 0 H GLY A 56 -0.018 -3.877 13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.013 -1.891 14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.685 -2.663 16.359 1.00 0.00 H new ATOM 897 N LYS A 57 2.883 -2.355 14.045 1.00 0.00 N ATOM 898 CA LYS A 57 4.169 -1.776 13.690 1.00 0.00 C ATOM 899 C LYS A 57 3.983 -0.538 12.820 1.00 0.00 C ATOM 900 O LYS A 57 2.863 -0.061 12.636 1.00 0.00 O ATOM 901 CB LYS A 57 5.033 -2.806 12.965 1.00 0.00 C ATOM 902 CG LYS A 57 6.327 -3.133 13.694 1.00 0.00 C ATOM 903 CD LYS A 57 6.667 -4.611 13.591 1.00 0.00 C ATOM 904 CE LYS A 57 8.059 -4.902 14.128 1.00 0.00 C ATOM 905 NZ LYS A 57 9.063 -3.921 13.630 1.00 0.00 N ATOM 0 H LYS A 57 2.624 -3.175 13.497 1.00 0.00 H new ATOM 0 HA LYS A 57 4.674 -1.477 14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.458 -3.723 12.833 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.271 -2.433 11.969 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.141 -2.541 13.275 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.236 -2.852 14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.932 -5.194 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.604 -4.928 12.550 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.040 -4.880 15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.358 -5.908 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.667 -3.612 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.651 -4.367 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.573 -3.097 13.226 1.00 0.00 H new ATOM 919 N THR A 58 5.086 -0.022 12.284 1.00 0.00 N ATOM 920 CA THR A 58 5.041 1.162 11.430 1.00 0.00 C ATOM 921 C THR A 58 3.948 1.026 10.371 1.00 0.00 C ATOM 922 O THR A 58 3.396 -0.056 10.174 1.00 0.00 O ATOM 923 CB THR A 58 6.400 1.384 10.759 1.00 0.00 C ATOM 924 OG1 THR A 58 6.444 2.647 10.118 1.00 0.00 O ATOM 925 CG2 THR A 58 6.742 0.329 9.726 1.00 0.00 C ATOM 0 H THR A 58 6.021 -0.404 12.426 1.00 0.00 H new ATOM 0 HA THR A 58 4.809 2.025 12.055 1.00 0.00 H new ATOM 0 HB THR A 58 7.131 1.326 11.566 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.321 2.770 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.717 0.548 9.291 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.769 -0.651 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.986 0.330 8.941 1.00 0.00 H new ATOM 933 N ARG A 59 3.649 2.124 9.686 1.00 0.00 N ATOM 934 CA ARG A 59 2.638 2.117 8.648 1.00 0.00 C ATOM 935 C ARG A 59 2.896 3.238 7.653 1.00 0.00 C ATOM 936 O ARG A 59 2.119 4.187 7.546 1.00 0.00 O ATOM 937 CB ARG A 59 1.242 2.262 9.258 1.00 0.00 C ATOM 938 CG ARG A 59 1.082 3.502 10.123 1.00 0.00 C ATOM 939 CD ARG A 59 -0.309 4.100 9.987 1.00 0.00 C ATOM 940 NE ARG A 59 -0.281 5.560 10.004 1.00 0.00 N ATOM 941 CZ ARG A 59 0.071 6.283 11.065 1.00 0.00 C ATOM 942 NH1 ARG A 59 0.425 5.685 12.196 1.00 0.00 N ATOM 943 NH2 ARG A 59 0.069 7.607 10.995 1.00 0.00 N ATOM 0 H ARG A 59 4.096 3.029 9.835 1.00 0.00 H new ATOM 0 HA ARG A 59 2.689 1.163 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.505 2.291 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.024 1.379 9.859 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.269 3.246 11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.828 4.244 9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.762 3.757 9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.939 3.740 10.800 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.547 6.055 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.428 4.667 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.694 6.244 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.202 8.071 10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.339 8.161 11.808 1.00 0.00 H new ATOM 957 N THR A 60 3.993 3.112 6.923 1.00 0.00 N ATOM 958 CA THR A 60 4.366 4.104 5.923 1.00 0.00 C ATOM 959 C THR A 60 3.284 4.216 4.853 1.00 0.00 C ATOM 960 O THR A 60 2.710 3.211 4.435 1.00 0.00 O ATOM 961 CB THR A 60 5.707 3.735 5.281 1.00 0.00 C ATOM 962 OG1 THR A 60 6.061 2.398 5.589 1.00 0.00 O ATOM 963 CG2 THR A 60 6.847 4.625 5.727 1.00 0.00 C ATOM 0 H THR A 60 4.643 2.330 7.004 1.00 0.00 H new ATOM 0 HA THR A 60 4.468 5.070 6.417 1.00 0.00 H new ATOM 0 HB THR A 60 5.560 3.867 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.599 1.788 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.768 4.310 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.628 5.659 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.968 4.548 6.808 1.00 0.00 H new ATOM 971 N ARG A 61 3.004 5.440 4.416 1.00 0.00 N ATOM 972 CA ARG A 61 1.988 5.670 3.403 1.00 0.00 C ATOM 973 C ARG A 61 2.610 6.117 2.088 1.00 0.00 C ATOM 974 O ARG A 61 2.119 5.786 1.009 1.00 0.00 O ATOM 975 CB ARG A 61 0.977 6.711 3.886 1.00 0.00 C ATOM 976 CG ARG A 61 -0.209 6.112 4.623 1.00 0.00 C ATOM 977 CD ARG A 61 -1.060 7.188 5.277 1.00 0.00 C ATOM 978 NE ARG A 61 -1.586 8.140 4.300 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.446 9.110 4.600 1.00 0.00 C ATOM 980 NH1 ARG A 61 -2.880 9.261 5.845 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.873 9.933 3.651 1.00 0.00 N ATOM 0 H ARG A 61 3.468 6.285 4.749 1.00 0.00 H new ATOM 0 HA ARG A 61 1.471 4.726 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.483 7.418 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.613 7.277 3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.819 5.538 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.147 5.416 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.888 6.721 5.810 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.464 7.721 6.018 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.276 8.056 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.554 8.631 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.539 10.007 6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.542 9.822 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.532 10.677 3.880 1.00 0.00 H new ATOM 995 N LYS A 62 3.690 6.873 2.189 1.00 0.00 N ATOM 996 CA LYS A 62 4.385 7.375 1.014 1.00 0.00 C ATOM 997 C LYS A 62 5.106 6.252 0.286 1.00 0.00 C ATOM 998 O LYS A 62 5.129 6.203 -0.944 1.00 0.00 O ATOM 999 CB LYS A 62 5.372 8.471 1.408 1.00 0.00 C ATOM 1000 CG LYS A 62 5.125 9.795 0.702 1.00 0.00 C ATOM 1001 CD LYS A 62 4.325 10.750 1.573 1.00 0.00 C ATOM 1002 CE LYS A 62 4.717 12.196 1.319 1.00 0.00 C ATOM 1003 NZ LYS A 62 4.637 13.019 2.557 1.00 0.00 N ATOM 0 H LYS A 62 4.107 7.154 3.077 1.00 0.00 H new ATOM 0 HA LYS A 62 3.643 7.797 0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.317 8.628 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.384 8.134 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.079 10.252 0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.590 9.617 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.261 10.620 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.486 10.507 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.732 12.233 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.063 12.621 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.912 13.998 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.663 13.005 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.280 12.629 3.275 1.00 0.00 H new ATOM 1017 N GLN A 63 5.691 5.351 1.056 1.00 0.00 N ATOM 1018 CA GLN A 63 6.412 4.224 0.505 1.00 0.00 C ATOM 1019 C GLN A 63 5.454 3.202 -0.089 1.00 0.00 C ATOM 1020 O GLN A 63 5.797 2.487 -1.031 1.00 0.00 O ATOM 1021 CB GLN A 63 7.278 3.576 1.575 1.00 0.00 C ATOM 1022 CG GLN A 63 7.812 4.541 2.625 1.00 0.00 C ATOM 1023 CD GLN A 63 8.462 5.768 2.014 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.586 5.877 0.794 1.00 0.00 O ATOM 1025 NE2 GLN A 63 8.882 6.700 2.862 1.00 0.00 N ATOM 0 H GLN A 63 5.678 5.382 2.075 1.00 0.00 H new ATOM 0 HA GLN A 63 7.056 4.591 -0.294 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.697 2.801 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.121 3.082 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.995 4.853 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.538 4.024 3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.759 6.569 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.327 7.547 2.509 1.00 0.00 H new ATOM 1034 N VAL A 64 4.250 3.141 0.464 1.00 0.00 N ATOM 1035 CA VAL A 64 3.241 2.212 -0.014 1.00 0.00 C ATOM 1036 C VAL A 64 2.527 2.760 -1.244 1.00 0.00 C ATOM 1037 O VAL A 64 1.911 2.009 -1.998 1.00 0.00 O ATOM 1038 CB VAL A 64 2.199 1.890 1.073 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.247 0.802 0.598 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.886 1.475 2.364 1.00 0.00 C ATOM 0 H VAL A 64 3.950 3.725 1.245 1.00 0.00 H new ATOM 0 HA VAL A 64 3.765 1.294 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 64 1.617 2.791 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.519 0.589 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.728 1.139 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.812 -0.102 0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.134 1.251 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.494 0.589 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.523 2.287 2.714 1.00 0.00 H new ATOM 1050 N SER A 65 2.625 4.069 -1.453 1.00 0.00 N ATOM 1051 CA SER A 65 2.002 4.701 -2.601 1.00 0.00 C ATOM 1052 C SER A 65 2.948 4.658 -3.787 1.00 0.00 C ATOM 1053 O SER A 65 2.526 4.572 -4.940 1.00 0.00 O ATOM 1054 CB SER A 65 1.616 6.146 -2.280 1.00 0.00 C ATOM 1055 OG SER A 65 0.808 6.213 -1.117 1.00 0.00 O ATOM 0 H SER A 65 3.131 4.709 -0.840 1.00 0.00 H new ATOM 0 HA SER A 65 1.092 4.155 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.517 6.743 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.079 6.578 -3.125 1.00 0.00 H new ATOM 0 HG SER A 65 -0.119 5.996 -1.350 1.00 0.00 H new ATOM 1061 N SER A 66 4.236 4.701 -3.481 1.00 0.00 N ATOM 1062 CA SER A 66 5.269 4.649 -4.494 1.00 0.00 C ATOM 1063 C SER A 66 5.382 3.243 -5.062 1.00 0.00 C ATOM 1064 O SER A 66 5.699 3.054 -6.236 1.00 0.00 O ATOM 1065 CB SER A 66 6.600 5.081 -3.895 1.00 0.00 C ATOM 1066 OG SER A 66 7.258 6.021 -4.727 1.00 0.00 O ATOM 0 H SER A 66 4.589 4.773 -2.527 1.00 0.00 H new ATOM 0 HA SER A 66 5.004 5.329 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.433 5.518 -2.910 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.238 4.208 -3.753 1.00 0.00 H new ATOM 0 HG SER A 66 8.109 6.282 -4.317 1.00 0.00 H new ATOM 1072 N HIS A 67 5.118 2.263 -4.210 1.00 0.00 N ATOM 1073 CA HIS A 67 5.185 0.864 -4.606 1.00 0.00 C ATOM 1074 C HIS A 67 4.061 0.513 -5.570 1.00 0.00 C ATOM 1075 O HIS A 67 4.233 -0.312 -6.467 1.00 0.00 O ATOM 1076 CB HIS A 67 5.124 -0.043 -3.376 1.00 0.00 C ATOM 1077 CG HIS A 67 5.681 -1.412 -3.614 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.339 -2.364 -4.514 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.721 -1.940 -2.877 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.169 -3.437 -4.306 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 6.994 -3.157 -3.315 1.00 0.00 N flip ATOM 0 H HIS A 67 4.854 2.412 -3.236 1.00 0.00 H new ATOM 0 HA HIS A 67 6.135 0.706 -5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.673 0.427 -2.560 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.087 -0.133 -3.052 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.602 -2.296 -5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.232 -1.438 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.150 -4.362 -4.864 1.00 0.00 H new ATOM 1090 N ILE A 68 2.912 1.145 -5.381 1.00 0.00 N ATOM 1091 CA ILE A 68 1.761 0.901 -6.237 1.00 0.00 C ATOM 1092 C ILE A 68 1.964 1.526 -7.609 1.00 0.00 C ATOM 1093 O ILE A 68 1.446 1.034 -8.612 1.00 0.00 O ATOM 1094 CB ILE A 68 0.459 1.446 -5.614 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.302 0.940 -4.180 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.745 1.043 -6.455 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.501 1.870 -3.297 1.00 0.00 C ATOM 0 H ILE A 68 2.752 1.830 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 68 1.667 -0.180 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 68 0.516 2.534 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.180 -0.037 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.290 0.799 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.654 1.436 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.638 1.448 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.806 -0.044 -6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.572 1.448 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.008 2.841 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.502 1.991 -3.711 1.00 0.00 H new ATOM 1109 N GLN A 69 2.728 2.608 -7.646 1.00 0.00 N ATOM 1110 CA GLN A 69 3.012 3.299 -8.893 1.00 0.00 C ATOM 1111 C GLN A 69 4.004 2.506 -9.732 1.00 0.00 C ATOM 1112 O GLN A 69 3.998 2.583 -10.961 1.00 0.00 O ATOM 1113 CB GLN A 69 3.557 4.701 -8.616 1.00 0.00 C ATOM 1114 CG GLN A 69 2.563 5.612 -7.913 1.00 0.00 C ATOM 1115 CD GLN A 69 2.549 7.014 -8.490 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.857 7.218 -9.664 1.00 0.00 O ATOM 1117 NE2 GLN A 69 2.188 7.990 -7.664 1.00 0.00 N ATOM 0 H GLN A 69 3.163 3.026 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 69 2.081 3.390 -9.452 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.456 4.618 -8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.853 5.160 -9.559 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.564 5.182 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.809 5.662 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.941 7.775 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.158 8.954 -7.996 1.00 0.00 H new ATOM 1126 N VAL A 70 4.849 1.738 -9.058 1.00 0.00 N ATOM 1127 CA VAL A 70 5.844 0.921 -9.734 1.00 0.00 C ATOM 1128 C VAL A 70 5.193 -0.265 -10.428 1.00 0.00 C ATOM 1129 O VAL A 70 5.687 -0.752 -11.446 1.00 0.00 O ATOM 1130 CB VAL A 70 6.916 0.410 -8.764 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.111 -0.138 -9.528 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.343 1.506 -7.798 1.00 0.00 C ATOM 0 H VAL A 70 4.864 1.664 -8.041 1.00 0.00 H new ATOM 0 HA VAL A 70 6.323 1.560 -10.476 1.00 0.00 H new ATOM 0 HB VAL A 70 6.486 -0.402 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.861 -0.496 -8.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.789 -0.962 -10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.541 0.651 -10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.104 1.118 -7.121 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.751 2.347 -8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.480 1.839 -7.221 1.00 0.00 H new ATOM 1142 N LEU A 71 4.078 -0.721 -9.874 1.00 0.00 N ATOM 1143 CA LEU A 71 3.350 -1.846 -10.439 1.00 0.00 C ATOM 1144 C LEU A 71 2.675 -1.450 -11.744 1.00 0.00 C ATOM 1145 O LEU A 71 2.488 -2.276 -12.637 1.00 0.00 O ATOM 1146 CB LEU A 71 2.317 -2.367 -9.442 1.00 0.00 C ATOM 1147 CG LEU A 71 2.527 -3.813 -8.988 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.564 -3.877 -7.877 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.212 -4.422 -8.528 1.00 0.00 C ATOM 0 H LEU A 71 3.658 -0.327 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 71 4.063 -2.643 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.325 -1.722 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.327 -2.283 -9.891 1.00 0.00 H new ATOM 0 HG LEU A 71 2.896 -4.391 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.701 -4.913 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.511 -3.479 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.224 -3.285 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.379 -5.451 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.815 -3.843 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.498 -4.409 -9.351 1.00 0.00 H new ATOM 1161 N ALA A 72 2.318 -0.177 -11.849 1.00 0.00 N ATOM 1162 CA ALA A 72 1.671 0.338 -13.045 1.00 0.00 C ATOM 1163 C ALA A 72 2.648 0.385 -14.211 1.00 0.00 C ATOM 1164 O ALA A 72 2.254 0.277 -15.373 1.00 0.00 O ATOM 1165 CB ALA A 72 1.086 1.717 -12.782 1.00 0.00 C ATOM 0 H ALA A 72 2.467 0.518 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 72 0.858 -0.338 -13.311 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.606 2.087 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.350 1.653 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.883 2.400 -12.489 1.00 0.00 H new ATOM 1171 N ARG A 73 3.925 0.543 -13.890 1.00 0.00 N ATOM 1172 CA ARG A 73 4.967 0.600 -14.904 1.00 0.00 C ATOM 1173 C ARG A 73 5.171 -0.767 -15.545 1.00 0.00 C ATOM 1174 O ARG A 73 5.587 -0.869 -16.700 1.00 0.00 O ATOM 1175 CB ARG A 73 6.279 1.094 -14.293 1.00 0.00 C ATOM 1176 CG ARG A 73 6.443 2.604 -14.344 1.00 0.00 C ATOM 1177 CD ARG A 73 7.901 3.001 -14.510 1.00 0.00 C ATOM 1178 NE ARG A 73 8.775 2.275 -13.591 1.00 0.00 N ATOM 1179 CZ ARG A 73 10.093 2.177 -13.742 1.00 0.00 C ATOM 1180 NH1 ARG A 73 10.695 2.758 -14.773 1.00 0.00 N ATOM 1181 NH2 ARG A 73 10.813 1.498 -12.860 1.00 0.00 N ATOM 0 H ARG A 73 4.264 0.634 -12.932 1.00 0.00 H new ATOM 0 HA ARG A 73 4.652 1.301 -15.677 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.333 0.766 -13.255 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.113 0.628 -14.818 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.859 3.007 -15.171 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.047 3.045 -13.429 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.214 2.809 -15.536 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.006 4.072 -14.340 1.00 0.00 H new ATOM 0 HE ARG A 73 8.349 1.816 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.147 3.283 -15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.706 2.680 -14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.356 1.050 -12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.824 1.423 -12.976 1.00 0.00 H new ATOM 1195 N ARG A 74 4.874 -1.814 -14.787 1.00 0.00 N ATOM 1196 CA ARG A 74 5.020 -3.178 -15.275 1.00 0.00 C ATOM 1197 C ARG A 74 3.967 -3.493 -16.329 1.00 0.00 C ATOM 1198 O ARG A 74 4.204 -4.279 -17.246 1.00 0.00 O ATOM 1199 CB ARG A 74 4.916 -4.173 -14.117 1.00 0.00 C ATOM 1200 CG ARG A 74 5.770 -5.416 -14.305 1.00 0.00 C ATOM 1201 CD ARG A 74 5.686 -6.337 -13.099 1.00 0.00 C ATOM 1202 NE ARG A 74 6.254 -7.654 -13.374 1.00 0.00 N ATOM 1203 CZ ARG A 74 7.560 -7.909 -13.396 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.436 -6.941 -13.158 1.00 0.00 N ATOM 1205 NH2 ARG A 74 7.992 -9.136 -13.655 1.00 0.00 N ATOM 0 H ARG A 74 4.530 -1.744 -13.829 1.00 0.00 H new ATOM 0 HA ARG A 74 6.005 -3.269 -15.733 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.212 -3.675 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.875 -4.472 -13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.444 -5.952 -15.197 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.807 -5.125 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.213 -5.883 -12.259 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.644 -6.447 -12.799 1.00 0.00 H new ATOM 0 HE ARG A 74 5.612 -8.424 -13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.110 -5.996 -12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.436 -7.142 -13.176 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.323 -9.884 -13.837 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.993 -9.331 -13.672 1.00 0.00 H new ATOM 1219 N LYS A 75 2.806 -2.871 -16.189 1.00 0.00 N ATOM 1220 CA LYS A 75 1.709 -3.076 -17.123 1.00 0.00 C ATOM 1221 C LYS A 75 1.946 -2.308 -18.418 1.00 0.00 C ATOM 1222 O LYS A 75 1.488 -2.712 -19.487 1.00 0.00 O ATOM 1223 CB LYS A 75 0.384 -2.646 -16.493 1.00 0.00 C ATOM 1224 CG LYS A 75 -0.832 -3.306 -17.123 1.00 0.00 C ATOM 1225 CD LYS A 75 -1.915 -3.578 -16.091 1.00 0.00 C ATOM 1226 CE LYS A 75 -2.424 -2.290 -15.464 1.00 0.00 C ATOM 1227 NZ LYS A 75 -2.778 -2.473 -14.030 1.00 0.00 N ATOM 0 H LYS A 75 2.599 -2.217 -15.434 1.00 0.00 H new ATOM 0 HA LYS A 75 1.660 -4.139 -17.358 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.404 -2.881 -15.429 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.285 -1.564 -16.579 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.230 -2.664 -17.909 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.535 -4.242 -17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.744 -4.107 -16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.521 -4.232 -15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.661 -1.516 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.299 -1.940 -16.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.121 -1.572 -13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.524 -3.193 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.937 -2.782 -13.502 1.00 0.00 H new ATOM 1241 N SER A 76 2.663 -1.199 -18.309 1.00 0.00 N ATOM 1242 CA SER A 76 2.967 -0.364 -19.463 1.00 0.00 C ATOM 1243 C SER A 76 4.051 -0.993 -20.337 1.00 0.00 C ATOM 1244 O SER A 76 4.312 -0.525 -21.445 1.00 0.00 O ATOM 1245 CB SER A 76 3.407 1.028 -19.008 1.00 0.00 C ATOM 1246 OG SER A 76 2.902 2.031 -19.872 1.00 0.00 O ATOM 0 H SER A 76 3.047 -0.855 -17.429 1.00 0.00 H new ATOM 0 HA SER A 76 2.059 -0.278 -20.060 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.057 1.209 -17.992 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.496 1.079 -18.984 1.00 0.00 H new ATOM 0 HG SER A 76 3.196 2.912 -19.558 1.00 0.00 H new ATOM 1252 N ARG A 77 4.682 -2.053 -19.835 1.00 0.00 N ATOM 1253 CA ARG A 77 5.737 -2.737 -20.577 1.00 0.00 C ATOM 1254 C ARG A 77 5.262 -3.142 -21.969 1.00 0.00 C ATOM 1255 O ARG A 77 6.068 -3.317 -22.883 1.00 0.00 O ATOM 1256 CB ARG A 77 6.212 -3.971 -19.808 1.00 0.00 C ATOM 1257 CG ARG A 77 7.273 -3.666 -18.763 1.00 0.00 C ATOM 1258 CD ARG A 77 8.673 -3.909 -19.303 1.00 0.00 C ATOM 1259 NE ARG A 77 9.170 -2.768 -20.067 1.00 0.00 N ATOM 1260 CZ ARG A 77 10.252 -2.809 -20.842 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.951 -3.931 -20.958 1.00 0.00 N ATOM 1262 NH2 ARG A 77 10.636 -1.725 -21.503 1.00 0.00 N ATOM 0 H ARG A 77 4.481 -2.455 -18.920 1.00 0.00 H new ATOM 0 HA ARG A 77 6.569 -2.042 -20.690 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.356 -4.436 -19.319 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.609 -4.699 -20.515 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.181 -2.629 -18.442 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.108 -4.288 -17.883 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.351 -4.113 -18.474 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.668 -4.796 -19.937 1.00 0.00 H new ATOM 0 HE ARG A 77 8.658 -1.888 -20.003 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.660 -4.768 -20.452 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.779 -3.957 -21.553 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.102 -0.860 -21.418 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.465 -1.757 -22.097 1.00 0.00 H new ATOM 1276 N ASP A 78 3.952 -3.288 -22.122 1.00 0.00 N ATOM 1277 CA ASP A 78 3.372 -3.671 -23.402 1.00 0.00 C ATOM 1278 C ASP A 78 3.515 -2.549 -24.423 1.00 0.00 C ATOM 1279 O ASP A 78 3.620 -2.795 -25.624 1.00 0.00 O ATOM 1280 CB ASP A 78 1.900 -4.041 -23.228 1.00 0.00 C ATOM 1281 CG ASP A 78 1.622 -5.489 -23.582 1.00 0.00 C ATOM 1282 OD1 ASP A 78 1.718 -6.350 -22.682 1.00 0.00 O ATOM 1283 OD2 ASP A 78 1.310 -5.763 -24.760 1.00 0.00 O ATOM 0 H ASP A 78 3.271 -3.147 -21.375 1.00 0.00 H new ATOM 0 HA ASP A 78 3.914 -4.541 -23.773 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.602 -3.859 -22.196 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.289 -3.393 -23.856 1.00 0.00 H new