USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 434 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 30 ASN : amide:sc= -5.98! C(o=-8.4!,f=-6.8!) USER MOD Set 1.2: A 41 MET CE :methyl -118:sc= -2.43 (180deg=-3.6!) USER MOD Single : A 12 MET CE :methyl 170:sc= -1.15 (180deg=-1.2) USER MOD Single : A 13 ASN : amide:sc= -5.62! C(o=-5.6!,f=-7!) USER MOD Single : A 16 MET CE :methyl 154:sc= -0.19 (180deg=-0.88) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.0818 (180deg=0.0158) USER MOD Single : A 24 LYS NZ :NH3+ -134:sc= -1.1 (180deg=-3.14!) USER MOD Single : A 28 GLN : amide:sc= -0.0314 K(o=-0.031,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-6.1!) USER MOD Single : A 35 ASN : amide:sc= 0.0729 K(o=0.073,f=-4.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= -0.39! (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.350 5.263 -5.565 1.00 0.00 N ATOM 148 CA MET A 12 -3.037 4.368 -4.642 1.00 0.00 C ATOM 149 C MET A 12 -3.591 5.139 -3.448 1.00 0.00 C ATOM 150 O MET A 12 -3.047 6.170 -3.057 1.00 0.00 O ATOM 151 CB MET A 12 -2.086 3.271 -4.159 1.00 0.00 C ATOM 152 CG MET A 12 -1.005 2.917 -5.167 1.00 0.00 C ATOM 153 SD MET A 12 -0.256 1.308 -4.846 1.00 0.00 S ATOM 154 CE MET A 12 0.423 1.572 -3.209 1.00 0.00 C ATOM 0 HA MET A 12 -3.870 3.908 -5.173 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.614 3.593 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.664 2.376 -3.929 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.433 2.921 -6.169 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.231 3.684 -5.148 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.762 0.621 -2.798 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.265 2.262 -3.271 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.345 1.994 -2.560 1.00 0.00 H new ATOM 164 N ASN A 13 -4.676 4.631 -2.873 1.00 0.00 N ATOM 165 CA ASN A 13 -5.304 5.272 -1.724 1.00 0.00 C ATOM 166 C ASN A 13 -4.761 4.700 -0.417 1.00 0.00 C ATOM 167 O ASN A 13 -3.856 3.866 -0.422 1.00 0.00 O ATOM 168 CB ASN A 13 -6.823 5.094 -1.780 1.00 0.00 C ATOM 169 CG ASN A 13 -7.226 3.751 -2.358 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.126 3.527 -3.564 1.00 0.00 O ATOM 171 ND2 ASN A 13 -7.684 2.850 -1.497 1.00 0.00 N ATOM 0 H ASN A 13 -5.139 3.777 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.068 6.336 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.235 5.193 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.258 5.891 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.970 1.928 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.750 3.080 -0.505 1.00 0.00 H new ATOM 178 N ALA A 14 -5.322 5.154 0.699 1.00 0.00 N ATOM 179 CA ALA A 14 -4.897 4.686 2.012 1.00 0.00 C ATOM 180 C ALA A 14 -5.006 3.168 2.116 1.00 0.00 C ATOM 181 O ALA A 14 -4.101 2.504 2.621 1.00 0.00 O ATOM 182 CB ALA A 14 -5.722 5.352 3.103 1.00 0.00 C ATOM 0 H ALA A 14 -6.072 5.845 0.720 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.850 4.959 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.393 4.993 4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.589 6.433 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.775 5.108 2.963 1.00 0.00 H new ATOM 188 N PHE A 15 -6.120 2.626 1.635 1.00 0.00 N ATOM 189 CA PHE A 15 -6.349 1.186 1.676 1.00 0.00 C ATOM 190 C PHE A 15 -5.349 0.452 0.788 1.00 0.00 C ATOM 191 O PHE A 15 -4.733 -0.527 1.207 1.00 0.00 O ATOM 192 CB PHE A 15 -7.777 0.863 1.231 1.00 0.00 C ATOM 193 CG PHE A 15 -7.980 -0.582 0.873 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.755 -1.027 -0.420 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.395 -1.495 1.829 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.942 -2.355 -0.752 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.584 -2.824 1.502 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.356 -3.255 0.210 1.00 0.00 C ATOM 0 H PHE A 15 -6.878 3.162 1.212 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.211 0.850 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.468 1.132 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.030 1.482 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.430 -0.328 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.573 -1.164 2.842 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.764 -2.689 -1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.910 -3.525 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.501 -4.294 -0.048 1.00 0.00 H new ATOM 208 N MET A 16 -5.194 0.933 -0.442 1.00 0.00 N ATOM 209 CA MET A 16 -4.268 0.322 -1.389 1.00 0.00 C ATOM 210 C MET A 16 -2.850 0.305 -0.829 1.00 0.00 C ATOM 211 O MET A 16 -2.184 -0.731 -0.830 1.00 0.00 O ATOM 212 CB MET A 16 -4.295 1.078 -2.719 1.00 0.00 C ATOM 213 CG MET A 16 -5.626 0.983 -3.446 1.00 0.00 C ATOM 214 SD MET A 16 -5.534 1.578 -5.146 1.00 0.00 S ATOM 215 CE MET A 16 -4.423 0.372 -5.867 1.00 0.00 C ATOM 0 H MET A 16 -5.697 1.743 -0.805 1.00 0.00 H new ATOM 0 HA MET A 16 -4.585 -0.707 -1.557 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.065 2.128 -2.535 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.509 0.688 -3.365 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.962 -0.054 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.374 1.561 -2.903 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.612 0.298 -6.938 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.391 0.682 -5.701 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.589 -0.600 -5.402 1.00 0.00 H new ATOM 225 N VAL A 17 -2.392 1.458 -0.351 1.00 0.00 N ATOM 226 CA VAL A 17 -1.053 1.574 0.213 1.00 0.00 C ATOM 227 C VAL A 17 -0.836 0.557 1.327 1.00 0.00 C ATOM 228 O VAL A 17 0.002 -0.338 1.210 1.00 0.00 O ATOM 229 CB VAL A 17 -0.798 2.988 0.767 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.591 3.080 1.379 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.976 4.029 -0.328 1.00 0.00 C ATOM 0 H VAL A 17 -2.929 2.325 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.350 1.377 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.528 3.189 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.753 4.086 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.678 2.361 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.339 2.859 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.792 5.022 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.270 3.832 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.994 3.979 -0.716 1.00 0.00 H new ATOM 241 N TRP A 18 -1.595 0.700 2.407 1.00 0.00 N ATOM 242 CA TRP A 18 -1.486 -0.208 3.544 1.00 0.00 C ATOM 243 C TRP A 18 -1.594 -1.660 3.093 1.00 0.00 C ATOM 244 O TRP A 18 -1.004 -2.553 3.700 1.00 0.00 O ATOM 245 CB TRP A 18 -2.572 0.101 4.575 1.00 0.00 C ATOM 246 CG TRP A 18 -2.887 -1.058 5.472 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.326 -1.330 6.687 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.835 -2.101 5.223 1.00 0.00 C ATOM 249 NE1 TRP A 18 -2.868 -2.480 7.208 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.797 -2.972 6.329 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.714 -2.384 4.174 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.603 -4.104 6.414 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.513 -3.508 4.259 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.454 -4.356 5.372 1.00 0.00 C ATOM 0 H TRP A 18 -2.293 1.436 2.520 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.508 -0.061 4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.254 0.947 5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.480 0.406 4.055 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.568 -0.729 7.168 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.619 -2.900 8.104 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.768 -1.735 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.558 -4.760 7.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.195 -3.737 3.453 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.093 -5.226 5.409 1.00 0.00 H new ATOM 265 N ALA A 19 -2.351 -1.889 2.025 1.00 0.00 N ATOM 266 CA ALA A 19 -2.534 -3.234 1.492 1.00 0.00 C ATOM 267 C ALA A 19 -1.266 -3.729 0.806 1.00 0.00 C ATOM 268 O ALA A 19 -0.925 -4.910 0.886 1.00 0.00 O ATOM 269 CB ALA A 19 -3.706 -3.262 0.523 1.00 0.00 C ATOM 0 H ALA A 19 -2.848 -1.161 1.512 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.750 -3.903 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.831 -4.272 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.615 -2.958 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.513 -2.576 -0.302 1.00 0.00 H new ATOM 275 N LYS A 20 -0.570 -2.821 0.131 1.00 0.00 N ATOM 276 CA LYS A 20 0.662 -3.165 -0.569 1.00 0.00 C ATOM 277 C LYS A 20 1.484 -4.167 0.236 1.00 0.00 C ATOM 278 O LYS A 20 2.115 -5.061 -0.328 1.00 0.00 O ATOM 279 CB LYS A 20 1.491 -1.906 -0.835 1.00 0.00 C ATOM 280 CG LYS A 20 2.304 -1.449 0.364 1.00 0.00 C ATOM 281 CD LYS A 20 2.573 0.046 0.318 1.00 0.00 C ATOM 282 CE LYS A 20 3.748 0.373 -0.591 1.00 0.00 C ATOM 283 NZ LYS A 20 4.459 1.607 -0.157 1.00 0.00 N ATOM 0 H LYS A 20 -0.838 -1.840 0.054 1.00 0.00 H new ATOM 0 HA LYS A 20 0.393 -3.623 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.165 -2.095 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.824 -1.100 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.770 -1.696 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.250 -1.989 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.683 0.566 -0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.778 0.411 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.446 -0.464 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.392 0.500 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.917 2.051 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.777 2.272 0.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.181 1.361 0.550 1.00 0.00 H new ATOM 297 N ASP A 21 1.470 -4.012 1.555 1.00 0.00 N ATOM 298 CA ASP A 21 2.212 -4.905 2.437 1.00 0.00 C ATOM 299 C ASP A 21 1.335 -6.066 2.897 1.00 0.00 C ATOM 300 O ASP A 21 1.670 -7.231 2.684 1.00 0.00 O ATOM 301 CB ASP A 21 2.739 -4.137 3.649 1.00 0.00 C ATOM 302 CG ASP A 21 3.762 -4.930 4.438 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.730 -5.427 3.824 1.00 0.00 O ATOM 304 OD2 ASP A 21 3.595 -5.056 5.669 1.00 0.00 O ATOM 0 H ASP A 21 0.953 -3.277 2.037 1.00 0.00 H new ATOM 0 HA ASP A 21 3.056 -5.309 1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.188 -3.201 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.905 -3.876 4.301 1.00 0.00 H new ATOM 309 N GLU A 22 0.213 -5.739 3.531 1.00 0.00 N ATOM 310 CA GLU A 22 -0.710 -6.755 4.022 1.00 0.00 C ATOM 311 C GLU A 22 -0.914 -7.854 2.983 1.00 0.00 C ATOM 312 O GLU A 22 -0.691 -9.033 3.258 1.00 0.00 O ATOM 313 CB GLU A 22 -2.055 -6.123 4.383 1.00 0.00 C ATOM 314 CG GLU A 22 -2.739 -6.782 5.569 1.00 0.00 C ATOM 315 CD GLU A 22 -3.696 -7.882 5.153 1.00 0.00 C ATOM 316 OE1 GLU A 22 -3.263 -8.802 4.429 1.00 0.00 O ATOM 317 OE2 GLU A 22 -4.878 -7.822 5.552 1.00 0.00 O ATOM 0 H GLU A 22 -0.078 -4.779 3.716 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.275 -7.201 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.903 -5.066 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.716 -6.176 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.983 -7.196 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.284 -6.027 6.135 1.00 0.00 H new ATOM 324 N ARG A 23 -1.340 -7.457 1.788 1.00 0.00 N ATOM 325 CA ARG A 23 -1.576 -8.407 0.707 1.00 0.00 C ATOM 326 C ARG A 23 -0.477 -9.464 0.663 1.00 0.00 C ATOM 327 O ARG A 23 -0.755 -10.664 0.637 1.00 0.00 O ATOM 328 CB ARG A 23 -1.651 -7.677 -0.635 1.00 0.00 C ATOM 329 CG ARG A 23 -2.166 -8.544 -1.772 1.00 0.00 C ATOM 330 CD ARG A 23 -1.891 -7.908 -3.126 1.00 0.00 C ATOM 331 NE ARG A 23 -1.747 -8.907 -4.181 1.00 0.00 N ATOM 332 CZ ARG A 23 -0.715 -9.737 -4.271 1.00 0.00 C ATOM 333 NH1 ARG A 23 0.260 -9.688 -3.373 1.00 0.00 N ATOM 334 NH2 ARG A 23 -0.655 -10.619 -5.261 1.00 0.00 N ATOM 0 H ARG A 23 -1.529 -6.485 1.544 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.527 -8.905 0.895 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.300 -6.807 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.659 -7.306 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.692 -9.525 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.238 -8.702 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.705 -7.228 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.982 -7.309 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.480 -8.971 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.218 -9.011 -2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.052 -10.327 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.402 -10.660 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.139 -11.256 -5.329 1.00 0.00 H new ATOM 348 N LYS A 24 0.772 -9.012 0.653 1.00 0.00 N ATOM 349 CA LYS A 24 1.914 -9.917 0.612 1.00 0.00 C ATOM 350 C LYS A 24 1.682 -11.126 1.512 1.00 0.00 C ATOM 351 O LYS A 24 2.024 -12.253 1.153 1.00 0.00 O ATOM 352 CB LYS A 24 3.187 -9.185 1.041 1.00 0.00 C ATOM 353 CG LYS A 24 3.471 -7.931 0.231 1.00 0.00 C ATOM 354 CD LYS A 24 4.937 -7.539 0.305 1.00 0.00 C ATOM 355 CE LYS A 24 5.801 -8.449 -0.555 1.00 0.00 C ATOM 356 NZ LYS A 24 6.260 -9.651 0.196 1.00 0.00 N ATOM 0 H LYS A 24 1.019 -8.023 0.673 1.00 0.00 H new ATOM 0 HA LYS A 24 2.032 -10.267 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.104 -8.916 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.034 -9.865 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.190 -8.097 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.855 -7.111 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.056 -6.506 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.275 -7.586 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.236 -8.763 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.667 -7.893 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.275 -9.799 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.096 -9.508 1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.730 -10.485 -0.127 1.00 0.00 H new ATOM 370 N ARG A 25 1.100 -10.884 2.682 1.00 0.00 N ATOM 371 CA ARG A 25 0.822 -11.954 3.633 1.00 0.00 C ATOM 372 C ARG A 25 -0.292 -12.862 3.120 1.00 0.00 C ATOM 373 O ARG A 25 -0.282 -14.070 3.359 1.00 0.00 O ATOM 374 CB ARG A 25 0.433 -11.368 4.992 1.00 0.00 C ATOM 375 CG ARG A 25 -1.061 -11.139 5.151 1.00 0.00 C ATOM 376 CD ARG A 25 -1.351 -10.004 6.120 1.00 0.00 C ATOM 377 NE ARG A 25 -2.621 -10.189 6.816 1.00 0.00 N ATOM 378 CZ ARG A 25 -2.779 -11.006 7.852 1.00 0.00 C ATOM 379 NH1 ARG A 25 -1.751 -11.708 8.310 1.00 0.00 N ATOM 380 NH2 ARG A 25 -3.966 -11.120 8.434 1.00 0.00 N ATOM 0 H ARG A 25 0.812 -9.957 2.994 1.00 0.00 H new ATOM 0 HA ARG A 25 1.728 -12.549 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.775 -12.040 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.954 -10.421 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.500 -10.911 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.534 -12.054 5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.544 -9.936 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.370 -9.059 5.576 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.431 -9.662 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.836 -11.621 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.875 -12.334 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.758 -10.580 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.086 -11.747 9.229 1.00 0.00 H new ATOM 394 N LEU A 26 -1.251 -12.272 2.415 1.00 0.00 N ATOM 395 CA LEU A 26 -2.373 -13.028 1.869 1.00 0.00 C ATOM 396 C LEU A 26 -1.901 -14.007 0.799 1.00 0.00 C ATOM 397 O LEU A 26 -2.280 -15.178 0.804 1.00 0.00 O ATOM 398 CB LEU A 26 -3.416 -12.076 1.281 1.00 0.00 C ATOM 399 CG LEU A 26 -3.897 -10.954 2.202 1.00 0.00 C ATOM 400 CD1 LEU A 26 -5.128 -10.277 1.621 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.190 -11.497 3.594 1.00 0.00 C ATOM 0 H LEU A 26 -1.274 -11.273 2.208 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.826 -13.597 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.000 -11.626 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.282 -12.663 0.974 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.104 -10.210 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.456 -9.481 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.885 -9.854 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.927 -11.009 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.531 -10.685 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.965 -12.260 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.283 -11.934 4.012 1.00 0.00 H new ATOM 413 N ALA A 27 -1.069 -13.520 -0.116 1.00 0.00 N ATOM 414 CA ALA A 27 -0.542 -14.352 -1.190 1.00 0.00 C ATOM 415 C ALA A 27 0.114 -15.612 -0.635 1.00 0.00 C ATOM 416 O ALA A 27 -0.253 -16.727 -1.004 1.00 0.00 O ATOM 417 CB ALA A 27 0.452 -13.564 -2.030 1.00 0.00 C ATOM 0 H ALA A 27 -0.746 -12.553 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.375 -14.655 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.837 -14.198 -2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.045 -12.697 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.277 -13.232 -1.400 1.00 0.00 H new ATOM 423 N GLN A 28 1.087 -15.426 0.251 1.00 0.00 N ATOM 424 CA GLN A 28 1.795 -16.549 0.855 1.00 0.00 C ATOM 425 C GLN A 28 0.831 -17.455 1.614 1.00 0.00 C ATOM 426 O GLN A 28 0.992 -18.675 1.627 1.00 0.00 O ATOM 427 CB GLN A 28 2.888 -16.043 1.797 1.00 0.00 C ATOM 428 CG GLN A 28 2.358 -15.204 2.949 1.00 0.00 C ATOM 429 CD GLN A 28 3.308 -15.166 4.129 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.450 -15.618 4.037 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.842 -14.624 5.248 1.00 0.00 N ATOM 0 H GLN A 28 1.403 -14.509 0.567 1.00 0.00 H new ATOM 0 HA GLN A 28 2.255 -17.129 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.432 -16.897 2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.603 -15.451 1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.178 -14.187 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.398 -15.605 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.889 -14.261 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.437 -14.570 6.075 1.00 0.00 H new ATOM 440 N GLN A 29 -0.169 -16.849 2.247 1.00 0.00 N ATOM 441 CA GLN A 29 -1.157 -17.602 3.010 1.00 0.00 C ATOM 442 C GLN A 29 -2.114 -18.342 2.080 1.00 0.00 C ATOM 443 O GLN A 29 -2.644 -19.396 2.430 1.00 0.00 O ATOM 444 CB GLN A 29 -1.943 -16.667 3.930 1.00 0.00 C ATOM 445 CG GLN A 29 -1.312 -16.492 5.302 1.00 0.00 C ATOM 446 CD GLN A 29 -2.332 -16.167 6.376 1.00 0.00 C ATOM 447 OE1 GLN A 29 -2.778 -17.048 7.111 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.707 -14.897 6.472 1.00 0.00 N ATOM 0 H GLN A 29 -0.316 -15.840 2.246 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.628 -18.337 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.031 -15.691 3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.954 -17.055 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.783 -17.405 5.573 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.570 -15.695 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.311 -14.199 5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.391 -14.619 7.176 1.00 0.00 H new ATOM 457 N ASN A 30 -2.330 -17.783 0.894 1.00 0.00 N ATOM 458 CA ASN A 30 -3.224 -18.390 -0.086 1.00 0.00 C ATOM 459 C ASN A 30 -2.594 -18.382 -1.475 1.00 0.00 C ATOM 460 O ASN A 30 -2.859 -17.507 -2.299 1.00 0.00 O ATOM 461 CB ASN A 30 -4.561 -17.647 -0.115 1.00 0.00 C ATOM 462 CG ASN A 30 -5.227 -17.600 1.246 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.643 -18.628 1.782 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.331 -16.404 1.813 1.00 0.00 N ATOM 0 H ASN A 30 -1.898 -16.911 0.588 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.397 -19.425 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.400 -16.630 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.228 -18.134 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.770 -16.310 2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.972 -15.579 1.333 1.00 0.00 H new ATOM 471 N PRO A 31 -1.738 -19.380 -1.743 1.00 0.00 N ATOM 472 CA PRO A 31 -1.054 -19.511 -3.032 1.00 0.00 C ATOM 473 C PRO A 31 -2.007 -19.895 -4.159 1.00 0.00 C ATOM 474 O PRO A 31 -1.616 -19.948 -5.325 1.00 0.00 O ATOM 475 CB PRO A 31 -0.041 -20.632 -2.784 1.00 0.00 C ATOM 476 CG PRO A 31 -0.629 -21.434 -1.674 1.00 0.00 C ATOM 477 CD PRO A 31 -1.375 -20.457 -0.807 1.00 0.00 C ATOM 0 HA PRO A 31 -0.602 -18.571 -3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.104 -21.239 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.934 -20.231 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.298 -22.203 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.149 -21.944 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.257 -20.912 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.754 -20.088 0.009 1.00 0.00 H new ATOM 485 N ASP A 32 -3.259 -20.161 -3.803 1.00 0.00 N ATOM 486 CA ASP A 32 -4.269 -20.538 -4.784 1.00 0.00 C ATOM 487 C ASP A 32 -5.276 -19.410 -4.989 1.00 0.00 C ATOM 488 O ASP A 32 -5.979 -19.367 -6.000 1.00 0.00 O ATOM 489 CB ASP A 32 -4.993 -21.810 -4.340 1.00 0.00 C ATOM 490 CG ASP A 32 -5.563 -22.590 -5.508 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.768 -23.098 -6.326 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.804 -22.692 -5.604 1.00 0.00 O ATOM 0 H ASP A 32 -3.598 -20.122 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.765 -20.728 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.300 -22.444 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.799 -21.546 -3.656 1.00 0.00 H new ATOM 497 N LEU A 33 -5.341 -18.500 -4.024 1.00 0.00 N ATOM 498 CA LEU A 33 -6.262 -17.371 -4.098 1.00 0.00 C ATOM 499 C LEU A 33 -5.666 -16.234 -4.921 1.00 0.00 C ATOM 500 O LEU A 33 -4.447 -16.074 -4.987 1.00 0.00 O ATOM 501 CB LEU A 33 -6.604 -16.874 -2.692 1.00 0.00 C ATOM 502 CG LEU A 33 -7.436 -17.822 -1.829 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.660 -17.228 -0.447 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.767 -18.128 -2.501 1.00 0.00 C ATOM 0 H LEU A 33 -4.767 -18.521 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.174 -17.710 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.673 -16.660 -2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.142 -15.931 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.885 -18.756 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.254 -17.917 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.698 -17.061 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.189 -16.279 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.345 -18.804 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.323 -17.202 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.587 -18.597 -3.468 1.00 0.00 H new ATOM 516 N HIS A 34 -6.534 -15.444 -5.546 1.00 0.00 N ATOM 517 CA HIS A 34 -6.093 -14.319 -6.363 1.00 0.00 C ATOM 518 C HIS A 34 -6.505 -12.993 -5.730 1.00 0.00 C ATOM 519 O HIS A 34 -7.275 -12.966 -4.770 1.00 0.00 O ATOM 520 CB HIS A 34 -6.674 -14.427 -7.773 1.00 0.00 C ATOM 521 CG HIS A 34 -8.166 -14.554 -7.798 1.00 0.00 C ATOM 522 ND1 HIS A 34 -9.005 -13.511 -8.131 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.969 -15.610 -7.530 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.259 -13.920 -8.065 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.265 -15.190 -7.703 1.00 0.00 N ATOM 0 H HIS A 34 -7.546 -15.562 -5.502 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.005 -14.350 -6.423 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.383 -13.546 -8.345 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.236 -15.291 -8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.650 -16.599 -7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.131 -13.318 -8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.097 -15.765 -7.573 1.00 0.00 H new ATOM 534 N ASN A 35 -5.987 -11.897 -6.274 1.00 0.00 N ATOM 535 CA ASN A 35 -6.301 -10.568 -5.761 1.00 0.00 C ATOM 536 C ASN A 35 -7.749 -10.495 -5.287 1.00 0.00 C ATOM 537 O ASN A 35 -8.017 -10.401 -4.090 1.00 0.00 O ATOM 538 CB ASN A 35 -6.051 -9.511 -6.838 1.00 0.00 C ATOM 539 CG ASN A 35 -4.590 -9.424 -7.235 1.00 0.00 C ATOM 540 OD1 ASN A 35 -3.910 -10.441 -7.368 1.00 0.00 O ATOM 541 ND2 ASN A 35 -4.101 -8.204 -7.427 1.00 0.00 N ATOM 0 H ASN A 35 -5.348 -11.902 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.649 -10.371 -4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.650 -9.744 -7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.384 -8.539 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.125 -8.082 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.702 -7.389 -7.305 1.00 0.00 H new ATOM 548 N ALA A 36 -8.679 -10.541 -6.236 1.00 0.00 N ATOM 549 CA ALA A 36 -10.100 -10.483 -5.916 1.00 0.00 C ATOM 550 C ALA A 36 -10.391 -11.169 -4.586 1.00 0.00 C ATOM 551 O ALA A 36 -11.234 -10.713 -3.814 1.00 0.00 O ATOM 552 CB ALA A 36 -10.918 -11.118 -7.030 1.00 0.00 C ATOM 0 H ALA A 36 -8.474 -10.618 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.384 -9.435 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.977 -11.068 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.741 -10.582 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.623 -12.160 -7.149 1.00 0.00 H new ATOM 558 N GLU A 37 -9.690 -12.268 -4.326 1.00 0.00 N ATOM 559 CA GLU A 37 -9.876 -13.018 -3.089 1.00 0.00 C ATOM 560 C GLU A 37 -9.113 -12.367 -1.938 1.00 0.00 C ATOM 561 O GLU A 37 -9.630 -12.243 -0.827 1.00 0.00 O ATOM 562 CB GLU A 37 -9.412 -14.465 -3.268 1.00 0.00 C ATOM 563 CG GLU A 37 -10.265 -15.261 -4.241 1.00 0.00 C ATOM 564 CD GLU A 37 -11.731 -14.878 -4.180 1.00 0.00 C ATOM 565 OE1 GLU A 37 -12.335 -15.014 -3.095 1.00 0.00 O ATOM 566 OE2 GLU A 37 -12.276 -14.444 -5.217 1.00 0.00 O ATOM 0 H GLU A 37 -8.988 -12.659 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.939 -13.012 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.380 -14.466 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.421 -14.963 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.895 -15.106 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.162 -16.324 -4.023 1.00 0.00 H new ATOM 573 N LEU A 38 -7.881 -11.953 -2.212 1.00 0.00 N ATOM 574 CA LEU A 38 -7.046 -11.315 -1.201 1.00 0.00 C ATOM 575 C LEU A 38 -7.688 -10.026 -0.698 1.00 0.00 C ATOM 576 O LEU A 38 -7.701 -9.755 0.503 1.00 0.00 O ATOM 577 CB LEU A 38 -5.658 -11.017 -1.772 1.00 0.00 C ATOM 578 CG LEU A 38 -5.028 -12.125 -2.617 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.621 -11.736 -3.044 1.00 0.00 C ATOM 580 CD2 LEU A 38 -5.010 -13.438 -1.848 1.00 0.00 C ATOM 0 H LEU A 38 -7.438 -12.048 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.947 -12.002 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.724 -10.116 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.986 -10.793 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.633 -12.260 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.189 -12.536 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.660 -10.820 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.005 -11.572 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.558 -14.215 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.429 -13.316 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.030 -13.725 -1.593 1.00 0.00 H new ATOM 592 N SER A 39 -8.222 -9.236 -1.624 1.00 0.00 N ATOM 593 CA SER A 39 -8.865 -7.974 -1.275 1.00 0.00 C ATOM 594 C SER A 39 -9.766 -8.144 -0.056 1.00 0.00 C ATOM 595 O SER A 39 -9.500 -7.587 1.010 1.00 0.00 O ATOM 596 CB SER A 39 -9.681 -7.449 -2.458 1.00 0.00 C ATOM 597 OG SER A 39 -9.631 -6.034 -2.523 1.00 0.00 O ATOM 0 H SER A 39 -8.222 -9.447 -2.622 1.00 0.00 H new ATOM 0 HA SER A 39 -8.086 -7.252 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.297 -7.873 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.717 -7.776 -2.363 1.00 0.00 H new ATOM 0 HG SER A 39 -10.158 -5.723 -3.288 1.00 0.00 H new ATOM 603 N LYS A 40 -10.834 -8.916 -0.220 1.00 0.00 N ATOM 604 CA LYS A 40 -11.776 -9.162 0.865 1.00 0.00 C ATOM 605 C LYS A 40 -11.058 -9.202 2.210 1.00 0.00 C ATOM 606 O LYS A 40 -11.525 -8.626 3.192 1.00 0.00 O ATOM 607 CB LYS A 40 -12.522 -10.478 0.633 1.00 0.00 C ATOM 608 CG LYS A 40 -12.983 -10.671 -0.801 1.00 0.00 C ATOM 609 CD LYS A 40 -14.327 -11.377 -0.864 1.00 0.00 C ATOM 610 CE LYS A 40 -14.461 -12.208 -2.131 1.00 0.00 C ATOM 611 NZ LYS A 40 -14.920 -11.389 -3.286 1.00 0.00 N ATOM 0 H LYS A 40 -11.069 -9.383 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.495 -8.343 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.873 -11.308 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.389 -10.516 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.057 -9.702 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.240 -11.251 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.443 -12.020 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.129 -10.640 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.500 -12.665 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.167 -13.021 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.999 -11.992 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.848 -10.973 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.234 -10.629 -3.467 1.00 0.00 H new ATOM 625 N MET A 41 -9.918 -9.885 2.247 1.00 0.00 N ATOM 626 CA MET A 41 -9.134 -9.998 3.471 1.00 0.00 C ATOM 627 C MET A 41 -8.528 -8.652 3.854 1.00 0.00 C ATOM 628 O MET A 41 -8.570 -8.249 5.018 1.00 0.00 O ATOM 629 CB MET A 41 -8.027 -11.039 3.299 1.00 0.00 C ATOM 630 CG MET A 41 -8.547 -12.439 3.015 1.00 0.00 C ATOM 631 SD MET A 41 -7.238 -13.678 3.004 1.00 0.00 S ATOM 632 CE MET A 41 -7.234 -14.151 1.276 1.00 0.00 C ATOM 0 H MET A 41 -9.517 -10.368 1.443 1.00 0.00 H new ATOM 0 HA MET A 41 -9.801 -10.317 4.272 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.373 -10.731 2.483 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.419 -11.063 4.203 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.289 -12.706 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.055 -12.445 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.488 -15.207 1.187 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.968 -13.555 0.734 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.244 -13.979 0.854 1.00 0.00 H new ATOM 642 N LEU A 42 -7.964 -7.961 2.870 1.00 0.00 N ATOM 643 CA LEU A 42 -7.348 -6.659 3.104 1.00 0.00 C ATOM 644 C LEU A 42 -8.376 -5.654 3.612 1.00 0.00 C ATOM 645 O LEU A 42 -8.027 -4.665 4.256 1.00 0.00 O ATOM 646 CB LEU A 42 -6.701 -6.141 1.819 1.00 0.00 C ATOM 647 CG LEU A 42 -5.620 -7.030 1.205 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.193 -6.492 -0.152 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.423 -7.137 2.139 1.00 0.00 C ATOM 0 H LEU A 42 -7.920 -8.280 1.902 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.579 -6.780 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.485 -5.991 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.265 -5.163 2.024 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.035 -8.028 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.423 -7.138 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.053 -6.468 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.797 -5.483 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.663 -7.774 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.008 -6.144 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.740 -7.570 3.088 1.00 0.00 H new ATOM 661 N GLY A 43 -9.647 -5.915 3.318 1.00 0.00 N ATOM 662 CA GLY A 43 -10.706 -5.024 3.754 1.00 0.00 C ATOM 663 C GLY A 43 -11.018 -5.173 5.230 1.00 0.00 C ATOM 664 O GLY A 43 -10.938 -4.208 5.990 1.00 0.00 O ATOM 0 H GLY A 43 -9.961 -6.727 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.417 -3.993 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.607 -5.224 3.173 1.00 0.00 H new ATOM 668 N LYS A 44 -11.376 -6.386 5.638 1.00 0.00 N ATOM 669 CA LYS A 44 -11.702 -6.659 7.033 1.00 0.00 C ATOM 670 C LYS A 44 -10.602 -6.149 7.959 1.00 0.00 C ATOM 671 O LYS A 44 -10.876 -5.671 9.059 1.00 0.00 O ATOM 672 CB LYS A 44 -11.906 -8.161 7.246 1.00 0.00 C ATOM 673 CG LYS A 44 -10.664 -8.989 6.967 1.00 0.00 C ATOM 674 CD LYS A 44 -10.854 -10.438 7.385 1.00 0.00 C ATOM 675 CE LYS A 44 -11.815 -11.164 6.456 1.00 0.00 C ATOM 676 NZ LYS A 44 -11.698 -12.643 6.583 1.00 0.00 N ATOM 0 H LYS A 44 -11.448 -7.196 5.022 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.627 -6.135 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.224 -8.334 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.714 -8.505 6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.427 -8.944 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.814 -8.564 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.890 -10.948 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.234 -10.477 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.837 -10.860 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.615 -10.871 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.369 -13.101 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.729 -12.936 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.914 -12.926 7.560 1.00 0.00 H new ATOM 690 N SER A 45 -9.357 -6.253 7.505 1.00 0.00 N ATOM 691 CA SER A 45 -8.216 -5.803 8.293 1.00 0.00 C ATOM 692 C SER A 45 -8.077 -4.285 8.232 1.00 0.00 C ATOM 693 O SER A 45 -7.606 -3.656 9.179 1.00 0.00 O ATOM 694 CB SER A 45 -6.931 -6.466 7.793 1.00 0.00 C ATOM 695 OG SER A 45 -6.830 -7.800 8.259 1.00 0.00 O ATOM 0 H SER A 45 -9.113 -6.645 6.595 1.00 0.00 H new ATOM 0 HA SER A 45 -8.386 -6.092 9.330 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.913 -6.456 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.067 -5.893 8.131 1.00 0.00 H new ATOM 0 HG SER A 45 -6.001 -8.202 7.924 1.00 0.00 H new ATOM 701 N TRP A 46 -8.489 -3.705 7.111 1.00 0.00 N ATOM 702 CA TRP A 46 -8.410 -2.261 6.924 1.00 0.00 C ATOM 703 C TRP A 46 -9.415 -1.541 7.817 1.00 0.00 C ATOM 704 O TRP A 46 -9.038 -0.863 8.773 1.00 0.00 O ATOM 705 CB TRP A 46 -8.661 -1.901 5.459 1.00 0.00 C ATOM 706 CG TRP A 46 -8.604 -0.427 5.192 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.621 0.363 4.737 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.471 0.432 5.361 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.188 1.662 4.613 1.00 0.00 N ATOM 710 CE2 TRP A 46 -7.873 1.730 4.990 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.157 0.231 5.791 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.007 2.819 5.037 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.298 1.312 5.836 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.726 2.593 5.462 1.00 0.00 C ATOM 0 H TRP A 46 -8.881 -4.212 6.318 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.407 -1.938 7.203 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.921 -2.405 4.837 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.639 -2.279 5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.619 0.018 4.508 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.754 2.448 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -5.819 -0.752 6.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.334 3.807 4.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.280 1.167 6.165 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.031 3.418 5.510 1.00 0.00 H new ATOM 725 N LYS A 47 -10.696 -1.693 7.500 1.00 0.00 N ATOM 726 CA LYS A 47 -11.757 -1.059 8.274 1.00 0.00 C ATOM 727 C LYS A 47 -11.502 -1.209 9.770 1.00 0.00 C ATOM 728 O LYS A 47 -11.862 -0.337 10.561 1.00 0.00 O ATOM 729 CB LYS A 47 -13.114 -1.668 7.913 1.00 0.00 C ATOM 730 CG LYS A 47 -13.823 -0.946 6.781 1.00 0.00 C ATOM 731 CD LYS A 47 -14.937 -1.794 6.190 1.00 0.00 C ATOM 732 CE LYS A 47 -14.384 -2.916 5.325 1.00 0.00 C ATOM 733 NZ LYS A 47 -15.454 -3.854 4.883 1.00 0.00 N ATOM 0 H LYS A 47 -11.025 -2.250 6.712 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.766 0.003 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.972 -2.712 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.753 -1.658 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.236 -0.007 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.104 -0.694 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.540 -2.216 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.597 -1.165 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.890 -2.491 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.627 -3.466 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.037 -4.604 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.909 -4.279 5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.164 -3.334 4.328 1.00 0.00 H new ATOM 747 N ALA A 48 -10.878 -2.319 10.152 1.00 0.00 N ATOM 748 CA ALA A 48 -10.573 -2.580 11.553 1.00 0.00 C ATOM 749 C ALA A 48 -9.581 -1.558 12.098 1.00 0.00 C ATOM 750 O ALA A 48 -9.693 -1.119 13.243 1.00 0.00 O ATOM 751 CB ALA A 48 -10.026 -3.990 11.719 1.00 0.00 C ATOM 0 H ALA A 48 -10.574 -3.052 9.511 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.497 -2.491 12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.802 -4.172 12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.768 -4.711 11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.115 -4.099 11.130 1.00 0.00 H new ATOM 757 N LEU A 49 -8.610 -1.184 11.272 1.00 0.00 N ATOM 758 CA LEU A 49 -7.597 -0.213 11.672 1.00 0.00 C ATOM 759 C LEU A 49 -8.242 1.101 12.102 1.00 0.00 C ATOM 760 O LEU A 49 -9.331 1.449 11.645 1.00 0.00 O ATOM 761 CB LEU A 49 -6.620 0.036 10.523 1.00 0.00 C ATOM 762 CG LEU A 49 -5.743 -1.149 10.117 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.025 -0.859 8.808 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.741 -1.472 11.217 1.00 0.00 C ATOM 0 H LEU A 49 -8.503 -1.538 10.321 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.051 -0.623 12.522 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.190 0.355 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.969 0.866 10.800 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.385 -2.018 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.406 -1.714 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.759 -0.678 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.395 0.022 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.125 -2.318 10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.104 -0.605 11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.275 -1.724 12.133 1.00 0.00 H new ATOM 776 N THR A 50 -7.560 1.829 12.981 1.00 0.00 N ATOM 777 CA THR A 50 -8.065 3.105 13.472 1.00 0.00 C ATOM 778 C THR A 50 -7.424 4.272 12.730 1.00 0.00 C ATOM 779 O THR A 50 -6.476 4.088 11.964 1.00 0.00 O ATOM 780 CB THR A 50 -7.809 3.268 14.982 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.401 3.277 15.241 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.467 2.143 15.767 1.00 0.00 C ATOM 0 H THR A 50 -6.656 1.556 13.367 1.00 0.00 H new ATOM 0 HA THR A 50 -9.140 3.110 13.291 1.00 0.00 H new ATOM 0 HB THR A 50 -8.243 4.215 15.302 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.246 3.383 16.203 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.272 2.279 16.831 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.542 2.157 15.590 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.058 1.186 15.443 1.00 0.00 H new ATOM 790 N LEU A 51 -7.944 5.472 12.961 1.00 0.00 N ATOM 791 CA LEU A 51 -7.421 6.670 12.314 1.00 0.00 C ATOM 792 C LEU A 51 -5.904 6.746 12.453 1.00 0.00 C ATOM 793 O LEU A 51 -5.182 6.815 11.459 1.00 0.00 O ATOM 794 CB LEU A 51 -8.063 7.921 12.918 1.00 0.00 C ATOM 795 CG LEU A 51 -7.695 9.249 12.257 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.441 9.832 12.891 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.501 9.064 10.759 1.00 0.00 C ATOM 0 H LEU A 51 -8.728 5.641 13.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.668 6.618 11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.146 7.805 12.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.788 7.974 13.971 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.515 9.950 12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.195 10.777 12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.616 10.003 13.953 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.613 9.134 12.767 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.240 10.020 10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.700 8.347 10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.425 8.693 10.316 1.00 0.00 H new ATOM 809 N ALA A 52 -5.427 6.730 13.694 1.00 0.00 N ATOM 810 CA ALA A 52 -3.996 6.792 13.963 1.00 0.00 C ATOM 811 C ALA A 52 -3.238 5.748 13.149 1.00 0.00 C ATOM 812 O ALA A 52 -2.099 5.972 12.743 1.00 0.00 O ATOM 813 CB ALA A 52 -3.729 6.601 15.449 1.00 0.00 C ATOM 0 H ALA A 52 -6.011 6.675 14.528 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.638 7.777 13.664 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.656 6.650 15.635 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.231 7.387 16.013 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.108 5.629 15.765 1.00 0.00 H new ATOM 819 N GLU A 53 -3.879 4.607 12.916 1.00 0.00 N ATOM 820 CA GLU A 53 -3.264 3.528 12.151 1.00 0.00 C ATOM 821 C GLU A 53 -3.223 3.869 10.665 1.00 0.00 C ATOM 822 O GLU A 53 -2.289 3.495 9.955 1.00 0.00 O ATOM 823 CB GLU A 53 -4.029 2.221 12.365 1.00 0.00 C ATOM 824 CG GLU A 53 -3.817 1.609 13.740 1.00 0.00 C ATOM 825 CD GLU A 53 -2.442 0.989 13.897 1.00 0.00 C ATOM 826 OE1 GLU A 53 -1.859 0.575 12.873 1.00 0.00 O ATOM 827 OE2 GLU A 53 -1.950 0.916 15.042 1.00 0.00 O ATOM 0 H GLU A 53 -4.823 4.406 13.246 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.241 3.404 12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.093 2.405 12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.722 1.502 11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.954 2.378 14.501 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.577 0.848 13.916 1.00 0.00 H new ATOM 834 N LYS A 54 -4.244 4.582 10.199 1.00 0.00 N ATOM 835 CA LYS A 54 -4.327 4.975 8.798 1.00 0.00 C ATOM 836 C LYS A 54 -3.591 6.289 8.557 1.00 0.00 C ATOM 837 O LYS A 54 -3.427 6.720 7.415 1.00 0.00 O ATOM 838 CB LYS A 54 -5.790 5.113 8.371 1.00 0.00 C ATOM 839 CG LYS A 54 -6.650 3.922 8.757 1.00 0.00 C ATOM 840 CD LYS A 54 -8.130 4.263 8.705 1.00 0.00 C ATOM 841 CE LYS A 54 -8.723 3.968 7.336 1.00 0.00 C ATOM 842 NZ LYS A 54 -8.415 5.046 6.355 1.00 0.00 N ATOM 0 H LYS A 54 -5.026 4.899 10.772 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.852 4.197 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.208 6.014 8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.833 5.247 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.444 3.090 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.387 3.592 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.663 3.691 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.270 5.317 8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.333 3.019 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.804 3.855 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.274 5.282 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.080 5.891 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.676 4.719 5.700 1.00 0.00 H new ATOM 856 N ARG A 55 -3.147 6.921 9.639 1.00 0.00 N ATOM 857 CA ARG A 55 -2.428 8.185 9.544 1.00 0.00 C ATOM 858 C ARG A 55 -1.208 8.051 8.637 1.00 0.00 C ATOM 859 O ARG A 55 -0.996 8.843 7.719 1.00 0.00 O ATOM 860 CB ARG A 55 -1.994 8.655 10.934 1.00 0.00 C ATOM 861 CG ARG A 55 -2.012 10.166 11.100 1.00 0.00 C ATOM 862 CD ARG A 55 -3.422 10.684 11.333 1.00 0.00 C ATOM 863 NE ARG A 55 -3.543 12.104 11.011 1.00 0.00 N ATOM 864 CZ ARG A 55 -4.703 12.707 10.774 1.00 0.00 C ATOM 865 NH1 ARG A 55 -5.834 12.018 10.823 1.00 0.00 N ATOM 866 NH2 ARG A 55 -4.732 14.003 10.489 1.00 0.00 N ATOM 0 H ARG A 55 -3.273 6.578 10.591 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.101 8.925 9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.651 8.208 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.987 8.288 11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.376 10.449 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.593 10.636 10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.123 10.113 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.700 10.523 12.375 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.691 12.663 10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.815 11.022 11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.723 12.484 10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.863 14.537 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.623 14.465 10.307 1.00 0.00 H new ATOM 880 N PRO A 56 -0.386 7.024 8.900 1.00 0.00 N ATOM 881 CA PRO A 56 0.827 6.762 8.119 1.00 0.00 C ATOM 882 C PRO A 56 0.513 6.277 6.707 1.00 0.00 C ATOM 883 O PRO A 56 1.292 6.493 5.779 1.00 0.00 O ATOM 884 CB PRO A 56 1.532 5.662 8.917 1.00 0.00 C ATOM 885 CG PRO A 56 0.440 4.978 9.665 1.00 0.00 C ATOM 886 CD PRO A 56 -0.576 6.041 9.979 1.00 0.00 C ATOM 0 HA PRO A 56 1.428 7.662 7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.055 4.969 8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.275 6.080 9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.002 4.180 9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.820 4.520 10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.589 5.640 9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.405 6.483 10.960 1.00 0.00 H new ATOM 894 N PHE A 57 -0.632 5.621 6.553 1.00 0.00 N ATOM 895 CA PHE A 57 -1.048 5.106 5.254 1.00 0.00 C ATOM 896 C PHE A 57 -1.976 6.091 4.549 1.00 0.00 C ATOM 897 O PHE A 57 -2.301 5.923 3.373 1.00 0.00 O ATOM 898 CB PHE A 57 -1.750 3.756 5.418 1.00 0.00 C ATOM 899 CG PHE A 57 -0.978 2.777 6.256 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.214 2.240 5.797 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.445 2.394 7.503 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.927 1.339 6.565 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.736 1.494 8.277 1.00 0.00 C ATOM 904 CZ PHE A 57 0.451 0.965 7.807 1.00 0.00 C ATOM 0 H PHE A 57 -1.288 5.433 7.311 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.156 4.973 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.729 3.917 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.922 3.323 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.591 2.529 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.373 2.803 7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.855 0.928 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.110 1.205 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.005 0.261 8.409 1.00 0.00 H new ATOM 914 N VAL A 58 -2.399 7.120 5.276 1.00 0.00 N ATOM 915 CA VAL A 58 -3.289 8.134 4.722 1.00 0.00 C ATOM 916 C VAL A 58 -2.501 9.325 4.191 1.00 0.00 C ATOM 917 O VAL A 58 -2.853 9.907 3.165 1.00 0.00 O ATOM 918 CB VAL A 58 -4.300 8.628 5.774 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.884 9.971 5.362 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.401 7.599 5.979 1.00 0.00 C ATOM 0 H VAL A 58 -2.140 7.274 6.250 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.831 7.666 3.900 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.778 8.760 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.596 10.305 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.082 10.704 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.393 9.868 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.106 7.965 6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.923 7.433 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.963 6.661 6.322 1.00 0.00 H new ATOM 930 N GLU A 59 -1.432 9.683 4.896 1.00 0.00 N ATOM 931 CA GLU A 59 -0.594 10.807 4.494 1.00 0.00 C ATOM 932 C GLU A 59 0.334 10.411 3.349 1.00 0.00 C ATOM 933 O GLU A 59 0.986 11.261 2.744 1.00 0.00 O ATOM 934 CB GLU A 59 0.229 11.308 5.682 1.00 0.00 C ATOM 935 CG GLU A 59 -0.600 11.577 6.927 1.00 0.00 C ATOM 936 CD GLU A 59 -1.109 13.004 6.992 1.00 0.00 C ATOM 937 OE1 GLU A 59 -2.155 13.288 6.373 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.461 13.835 7.662 1.00 0.00 O ATOM 0 H GLU A 59 -1.126 9.212 5.747 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.247 11.609 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.996 10.570 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.746 12.224 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.447 10.892 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.002 11.369 7.812 1.00 0.00 H new ATOM 945 N GLU A 60 0.388 9.115 3.060 1.00 0.00 N ATOM 946 CA GLU A 60 1.237 8.606 1.989 1.00 0.00 C ATOM 947 C GLU A 60 0.459 8.503 0.680 1.00 0.00 C ATOM 948 O GLU A 60 0.906 8.985 -0.360 1.00 0.00 O ATOM 949 CB GLU A 60 1.807 7.237 2.366 1.00 0.00 C ATOM 950 CG GLU A 60 2.334 6.450 1.178 1.00 0.00 C ATOM 951 CD GLU A 60 3.428 5.473 1.565 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.327 5.866 2.339 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.387 4.318 1.095 1.00 0.00 O ATOM 0 H GLU A 60 -0.146 8.398 3.552 1.00 0.00 H new ATOM 0 HA GLU A 60 2.060 9.307 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.613 7.374 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.031 6.654 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.512 5.904 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.719 7.143 0.430 1.00 0.00 H new ATOM 960 N ALA A 61 -0.708 7.869 0.741 1.00 0.00 N ATOM 961 CA ALA A 61 -1.549 7.702 -0.438 1.00 0.00 C ATOM 962 C ALA A 61 -1.934 9.053 -1.033 1.00 0.00 C ATOM 963 O ALA A 61 -2.125 9.176 -2.242 1.00 0.00 O ATOM 964 CB ALA A 61 -2.795 6.903 -0.088 1.00 0.00 C ATOM 0 H ALA A 61 -1.092 7.463 1.594 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.978 7.154 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.414 6.786 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.505 5.920 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.361 7.429 0.681 1.00 0.00 H new ATOM 970 N GLU A 62 -2.045 10.062 -0.175 1.00 0.00 N ATOM 971 CA GLU A 62 -2.409 11.403 -0.617 1.00 0.00 C ATOM 972 C GLU A 62 -1.334 11.985 -1.530 1.00 0.00 C ATOM 973 O GLU A 62 -1.639 12.632 -2.532 1.00 0.00 O ATOM 974 CB GLU A 62 -2.622 12.322 0.588 1.00 0.00 C ATOM 975 CG GLU A 62 -2.710 13.794 0.223 1.00 0.00 C ATOM 976 CD GLU A 62 -3.571 14.584 1.190 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.666 14.177 2.367 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.149 15.608 0.770 1.00 0.00 O ATOM 0 H GLU A 62 -1.888 9.976 0.829 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.340 11.332 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.538 12.028 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.802 12.179 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.707 14.220 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.117 13.891 -0.783 1.00 0.00 H new ATOM 985 N ARG A 63 -0.075 11.751 -1.176 1.00 0.00 N ATOM 986 CA ARG A 63 1.046 12.253 -1.962 1.00 0.00 C ATOM 987 C ARG A 63 1.088 11.589 -3.335 1.00 0.00 C ATOM 988 O ARG A 63 1.372 12.239 -4.342 1.00 0.00 O ATOM 989 CB ARG A 63 2.364 12.008 -1.225 1.00 0.00 C ATOM 990 CG ARG A 63 2.476 12.762 0.090 1.00 0.00 C ATOM 991 CD ARG A 63 3.616 12.228 0.944 1.00 0.00 C ATOM 992 NE ARG A 63 4.893 12.846 0.599 1.00 0.00 N ATOM 993 CZ ARG A 63 5.665 12.430 -0.400 1.00 0.00 C ATOM 994 NH1 ARG A 63 5.289 11.402 -1.148 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.814 13.044 -0.652 1.00 0.00 N ATOM 0 H ARG A 63 0.195 11.217 -0.350 1.00 0.00 H new ATOM 0 HA ARG A 63 0.909 13.325 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.469 10.940 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.192 12.298 -1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.635 13.822 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.538 12.678 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.397 12.411 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.690 11.148 0.816 1.00 0.00 H new ATOM 0 HE ARG A 63 5.210 13.640 1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.406 10.929 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.883 11.084 -1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.105 13.836 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.406 12.724 -1.419 1.00 0.00 H new