USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=10 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= -2.2! C(o=-6.1!,f=-6.1!) USER MOD Set 1.2: A 41 MET CE :methyl 141:sc= -3.91! (180deg=-5.95!) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -6.44! C(o=-6!,f=-5.6!) USER MOD Set 2.2: A 35 ASN : amide:sc= 0.434 K(o=-6,f=-11!) USER MOD Set 3.1: A 12 MET CE :methyl 156:sc= -3.37! (180deg=-0.179) USER MOD Set 3.2: A 20 LYS NZ :NH3+ 138:sc= -4.71! (180deg=-2.82!) USER MOD Single : A 13 ASN : amide:sc= -4.42! C(o=-4.4!,f=-8.8!) USER MOD Single : A 16 MET CE :methyl -130:sc= -0.245 (180deg=-1.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0185 K(o=-0.019,f=-0.98) USER MOD Single : A 29 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.27) 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+ -127:sc= 0 (180deg=-0.604) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0492 (180deg=-0.298) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N MET A 12 -2.279 5.003 -5.696 1.00 0.00 N ATOM 148 CA MET A 12 -3.003 4.177 -4.736 1.00 0.00 C ATOM 149 C MET A 12 -3.553 5.025 -3.594 1.00 0.00 C ATOM 150 O MET A 12 -3.123 6.159 -3.389 1.00 0.00 O ATOM 151 CB MET A 12 -2.089 3.083 -4.181 1.00 0.00 C ATOM 152 CG MET A 12 -1.001 2.650 -5.150 1.00 0.00 C ATOM 153 SD MET A 12 -0.379 0.994 -4.801 1.00 0.00 S ATOM 154 CE MET A 12 0.537 1.288 -3.290 1.00 0.00 C ATOM 0 HA MET A 12 -3.841 3.712 -5.255 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.624 3.441 -3.262 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.694 2.216 -3.916 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.393 2.680 -6.167 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.176 3.361 -5.105 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.617 0.358 -2.726 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.535 1.651 -3.534 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.017 2.033 -2.688 1.00 0.00 H new ATOM 164 N ASN A 13 -4.506 4.468 -2.855 1.00 0.00 N ATOM 165 CA ASN A 13 -5.115 5.174 -1.734 1.00 0.00 C ATOM 166 C ASN A 13 -4.622 4.613 -0.404 1.00 0.00 C ATOM 167 O ASN A 13 -3.739 3.756 -0.369 1.00 0.00 O ATOM 168 CB ASN A 13 -6.640 5.074 -1.808 1.00 0.00 C ATOM 169 CG ASN A 13 -7.163 3.775 -1.225 1.00 0.00 C ATOM 170 OD1 ASN A 13 -7.793 3.766 -0.167 1.00 0.00 O ATOM 171 ND2 ASN A 13 -6.903 2.670 -1.914 1.00 0.00 N ATOM 0 H ASN A 13 -4.874 3.530 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.823 6.222 -1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.083 5.914 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.957 5.156 -2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.229 1.766 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.377 2.725 -2.786 1.00 0.00 H new ATOM 178 N ALA A 14 -5.199 5.101 0.689 1.00 0.00 N ATOM 179 CA ALA A 14 -4.820 4.646 2.021 1.00 0.00 C ATOM 180 C ALA A 14 -4.974 3.134 2.150 1.00 0.00 C ATOM 181 O ALA A 14 -4.105 2.457 2.699 1.00 0.00 O ATOM 182 CB ALA A 14 -5.655 5.355 3.078 1.00 0.00 C ATOM 0 H ALA A 14 -5.931 5.812 0.678 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.770 4.892 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.362 5.006 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.492 6.431 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.710 5.137 2.914 1.00 0.00 H new ATOM 188 N PHE A 15 -6.084 2.612 1.640 1.00 0.00 N ATOM 189 CA PHE A 15 -6.352 1.179 1.699 1.00 0.00 C ATOM 190 C PHE A 15 -5.296 0.396 0.924 1.00 0.00 C ATOM 191 O PHE A 15 -4.681 -0.529 1.454 1.00 0.00 O ATOM 192 CB PHE A 15 -7.743 0.876 1.138 1.00 0.00 C ATOM 193 CG PHE A 15 -7.932 -0.563 0.751 1.00 0.00 C ATOM 194 CD1 PHE A 15 -7.551 -1.013 -0.504 1.00 0.00 C ATOM 195 CD2 PHE A 15 -8.489 -1.467 1.642 1.00 0.00 C ATOM 196 CE1 PHE A 15 -7.725 -2.336 -0.862 1.00 0.00 C ATOM 197 CE2 PHE A 15 -8.664 -2.791 1.288 1.00 0.00 C ATOM 198 CZ PHE A 15 -8.281 -3.227 0.035 1.00 0.00 C ATOM 0 H PHE A 15 -6.813 3.159 1.181 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.314 0.870 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.493 1.146 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.919 1.505 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.114 -0.322 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.790 -1.133 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.426 -2.674 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.100 -3.485 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.416 -4.262 -0.243 1.00 0.00 H new ATOM 208 N MET A 16 -5.093 0.774 -0.334 1.00 0.00 N ATOM 209 CA MET A 16 -4.111 0.107 -1.182 1.00 0.00 C ATOM 210 C MET A 16 -2.737 0.100 -0.521 1.00 0.00 C ATOM 211 O MET A 16 -2.164 -0.960 -0.267 1.00 0.00 O ATOM 212 CB MET A 16 -4.031 0.798 -2.545 1.00 0.00 C ATOM 213 CG MET A 16 -5.201 0.475 -3.460 1.00 0.00 C ATOM 214 SD MET A 16 -4.983 1.132 -5.124 1.00 0.00 S ATOM 215 CE MET A 16 -3.703 0.047 -5.752 1.00 0.00 C ATOM 0 H MET A 16 -5.594 1.537 -0.788 1.00 0.00 H new ATOM 0 HA MET A 16 -4.431 -0.925 -1.324 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.985 1.877 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.104 0.505 -3.038 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.327 -0.606 -3.514 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.116 0.882 -3.030 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.902 0.644 -6.188 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.304 -0.555 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.124 -0.609 -6.514 1.00 0.00 H new ATOM 225 N VAL A 17 -2.212 1.290 -0.243 1.00 0.00 N ATOM 226 CA VAL A 17 -0.905 1.420 0.389 1.00 0.00 C ATOM 227 C VAL A 17 -0.748 0.427 1.536 1.00 0.00 C ATOM 228 O VAL A 17 0.009 -0.538 1.435 1.00 0.00 O ATOM 229 CB VAL A 17 -0.681 2.846 0.926 1.00 0.00 C ATOM 230 CG1 VAL A 17 0.734 2.998 1.464 1.00 0.00 C ATOM 231 CG2 VAL A 17 -0.960 3.873 -0.161 1.00 0.00 C ATOM 0 H VAL A 17 -2.672 2.177 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.160 1.207 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.377 3.021 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.874 4.012 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.894 2.286 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.450 2.805 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.797 4.875 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.290 3.702 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.993 3.778 -0.494 1.00 0.00 H new ATOM 241 N TRP A 18 -1.469 0.671 2.624 1.00 0.00 N ATOM 242 CA TRP A 18 -1.410 -0.203 3.791 1.00 0.00 C ATOM 243 C TRP A 18 -1.411 -1.669 3.373 1.00 0.00 C ATOM 244 O TRP A 18 -0.700 -2.490 3.954 1.00 0.00 O ATOM 245 CB TRP A 18 -2.591 0.076 4.722 1.00 0.00 C ATOM 246 CG TRP A 18 -2.963 -1.098 5.577 1.00 0.00 C ATOM 247 CD1 TRP A 18 -2.452 -1.413 6.804 1.00 0.00 C ATOM 248 CD2 TRP A 18 -3.923 -2.113 5.268 1.00 0.00 C ATOM 249 NE1 TRP A 18 -3.038 -2.563 7.276 1.00 0.00 N ATOM 250 CE2 TRP A 18 -3.945 -3.012 6.352 1.00 0.00 C ATOM 251 CE3 TRP A 18 -4.769 -2.350 4.181 1.00 0.00 C ATOM 252 CZ2 TRP A 18 -4.777 -4.127 6.379 1.00 0.00 C ATOM 253 CZ3 TRP A 18 -5.595 -3.458 4.208 1.00 0.00 C ATOM 254 CH2 TRP A 18 -5.595 -4.335 5.301 1.00 0.00 C ATOM 0 H TRP A 18 -2.101 1.466 2.723 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.481 0.003 4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.346 0.922 5.365 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.454 0.369 4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.698 -0.842 7.326 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.831 -3.010 8.169 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.777 -1.679 3.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.777 -4.804 7.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.252 -3.651 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.253 -5.191 5.293 1.00 0.00 H new ATOM 265 N ALA A 19 -2.212 -1.992 2.364 1.00 0.00 N ATOM 266 CA ALA A 19 -2.303 -3.360 1.868 1.00 0.00 C ATOM 267 C ALA A 19 -0.993 -3.798 1.221 1.00 0.00 C ATOM 268 O ALA A 19 -0.602 -4.962 1.311 1.00 0.00 O ATOM 269 CB ALA A 19 -3.451 -3.487 0.877 1.00 0.00 C ATOM 0 H ALA A 19 -2.808 -1.325 1.873 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.496 -4.016 2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.507 -4.514 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.387 -3.224 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.282 -2.814 0.036 1.00 0.00 H new ATOM 275 N LYS A 20 -0.318 -2.858 0.569 1.00 0.00 N ATOM 276 CA LYS A 20 0.950 -3.145 -0.093 1.00 0.00 C ATOM 277 C LYS A 20 1.772 -4.142 0.717 1.00 0.00 C ATOM 278 O LYS A 20 2.478 -4.980 0.155 1.00 0.00 O ATOM 279 CB LYS A 20 1.747 -1.855 -0.295 1.00 0.00 C ATOM 280 CG LYS A 20 2.491 -1.399 0.949 1.00 0.00 C ATOM 281 CD LYS A 20 2.764 0.096 0.918 1.00 0.00 C ATOM 282 CE LYS A 20 3.514 0.500 -0.342 1.00 0.00 C ATOM 283 NZ LYS A 20 2.593 0.707 -1.493 1.00 0.00 N ATOM 0 H LYS A 20 -0.628 -1.890 0.484 1.00 0.00 H new ATOM 0 HA LYS A 20 0.732 -3.586 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.464 -2.003 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.068 -1.064 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.906 -1.645 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.434 -1.940 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.821 0.640 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.346 0.379 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.072 1.417 -0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.243 -0.271 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.882 1.555 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.630 -0.121 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.622 0.832 -1.142 1.00 0.00 H new ATOM 297 N ASP A 21 1.675 -4.048 2.038 1.00 0.00 N ATOM 298 CA ASP A 21 2.408 -4.944 2.925 1.00 0.00 C ATOM 299 C ASP A 21 1.552 -6.146 3.312 1.00 0.00 C ATOM 300 O ASP A 21 2.019 -7.284 3.292 1.00 0.00 O ATOM 301 CB ASP A 21 2.858 -4.196 4.181 1.00 0.00 C ATOM 302 CG ASP A 21 3.894 -4.968 4.974 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.575 -6.082 5.442 1.00 0.00 O ATOM 304 OD2 ASP A 21 5.024 -4.460 5.126 1.00 0.00 O ATOM 0 H ASP A 21 1.096 -3.360 2.519 1.00 0.00 H new ATOM 0 HA ASP A 21 3.288 -5.305 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.270 -3.228 3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.992 -4.000 4.814 1.00 0.00 H new ATOM 309 N GLU A 22 0.298 -5.883 3.665 1.00 0.00 N ATOM 310 CA GLU A 22 -0.622 -6.944 4.059 1.00 0.00 C ATOM 311 C GLU A 22 -0.830 -7.935 2.917 1.00 0.00 C ATOM 312 O GLU A 22 -0.570 -9.130 3.063 1.00 0.00 O ATOM 313 CB GLU A 22 -1.967 -6.352 4.485 1.00 0.00 C ATOM 314 CG GLU A 22 -1.854 -5.327 5.601 1.00 0.00 C ATOM 315 CD GLU A 22 -0.695 -5.609 6.537 1.00 0.00 C ATOM 316 OE1 GLU A 22 -0.881 -6.389 7.494 1.00 0.00 O ATOM 317 OE2 GLU A 22 0.399 -5.049 6.312 1.00 0.00 O ATOM 0 H GLU A 22 -0.104 -4.946 3.686 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.183 -7.475 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.439 -5.885 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.623 -7.159 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.732 -4.335 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.782 -5.313 6.172 1.00 0.00 H new ATOM 324 N ARG A 23 -1.300 -7.431 1.781 1.00 0.00 N ATOM 325 CA ARG A 23 -1.545 -8.271 0.615 1.00 0.00 C ATOM 326 C ARG A 23 -0.464 -9.340 0.479 1.00 0.00 C ATOM 327 O ARG A 23 -0.763 -10.520 0.296 1.00 0.00 O ATOM 328 CB ARG A 23 -1.595 -7.418 -0.653 1.00 0.00 C ATOM 329 CG ARG A 23 -2.206 -8.135 -1.846 1.00 0.00 C ATOM 330 CD ARG A 23 -1.958 -7.376 -3.140 1.00 0.00 C ATOM 331 NE ARG A 23 -2.260 -8.186 -4.317 1.00 0.00 N ATOM 332 CZ ARG A 23 -2.522 -7.674 -5.514 1.00 0.00 C ATOM 333 NH1 ARG A 23 -2.519 -6.360 -5.692 1.00 0.00 N ATOM 334 NH2 ARG A 23 -2.788 -8.477 -6.537 1.00 0.00 N ATOM 0 H ARG A 23 -1.519 -6.444 1.643 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.507 -8.766 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.169 -6.514 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.583 -7.102 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.784 -9.137 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.279 -8.252 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.570 -6.474 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.917 -7.055 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.270 -9.201 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.315 -5.740 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.721 -5.970 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.791 -9.488 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.989 -8.083 -7.456 1.00 0.00 H new ATOM 348 N LYS A 24 0.792 -8.918 0.569 1.00 0.00 N ATOM 349 CA LYS A 24 1.918 -9.838 0.457 1.00 0.00 C ATOM 350 C LYS A 24 1.686 -11.088 1.300 1.00 0.00 C ATOM 351 O LYS A 24 1.891 -12.209 0.834 1.00 0.00 O ATOM 352 CB LYS A 24 3.212 -9.148 0.896 1.00 0.00 C ATOM 353 CG LYS A 24 3.643 -8.021 -0.026 1.00 0.00 C ATOM 354 CD LYS A 24 5.154 -7.861 -0.044 1.00 0.00 C ATOM 355 CE LYS A 24 5.642 -7.331 -1.383 1.00 0.00 C ATOM 356 NZ LYS A 24 6.953 -6.634 -1.259 1.00 0.00 N ATOM 0 H LYS A 24 1.056 -7.944 0.719 1.00 0.00 H new ATOM 0 HA LYS A 24 2.008 -10.137 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.079 -8.752 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.010 -9.889 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.285 -8.220 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.181 -7.088 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.458 -7.180 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.625 -8.822 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.735 -8.157 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.902 -6.643 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.252 -6.287 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.859 -5.831 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.665 -7.297 -0.892 1.00 0.00 H new ATOM 370 N ARG A 25 1.255 -10.888 2.541 1.00 0.00 N ATOM 371 CA ARG A 25 0.994 -12.000 3.448 1.00 0.00 C ATOM 372 C ARG A 25 -0.152 -12.864 2.932 1.00 0.00 C ATOM 373 O ARG A 25 -0.207 -14.066 3.199 1.00 0.00 O ATOM 374 CB ARG A 25 0.663 -11.477 4.847 1.00 0.00 C ATOM 375 CG ARG A 25 -0.820 -11.231 5.071 1.00 0.00 C ATOM 376 CD ARG A 25 -1.054 -10.106 6.067 1.00 0.00 C ATOM 377 NE ARG A 25 -0.682 -10.493 7.426 1.00 0.00 N ATOM 378 CZ ARG A 25 -1.433 -11.267 8.201 1.00 0.00 C ATOM 379 NH1 ARG A 25 -2.590 -11.735 7.754 1.00 0.00 N ATOM 380 NH2 ARG A 25 -1.026 -11.574 9.426 1.00 0.00 N ATOM 0 H ARG A 25 1.079 -9.967 2.942 1.00 0.00 H new ATOM 0 HA ARG A 25 1.894 -12.613 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.019 -12.193 5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.206 -10.547 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.296 -10.983 4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.291 -12.144 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.477 -9.231 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.105 -9.817 6.047 1.00 0.00 H new ATOM 0 HE ARG A 25 0.203 -10.150 7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.905 -11.501 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.165 -12.329 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.136 -11.215 9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.603 -12.168 10.021 1.00 0.00 H new ATOM 394 N LEU A 26 -1.067 -12.246 2.193 1.00 0.00 N ATOM 395 CA LEU A 26 -2.213 -12.959 1.640 1.00 0.00 C ATOM 396 C LEU A 26 -1.781 -13.899 0.519 1.00 0.00 C ATOM 397 O LEU A 26 -2.219 -15.047 0.455 1.00 0.00 O ATOM 398 CB LEU A 26 -3.252 -11.965 1.115 1.00 0.00 C ATOM 399 CG LEU A 26 -3.707 -10.888 2.100 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.870 -10.095 1.524 1.00 0.00 C ATOM 401 CD2 LEU A 26 -4.094 -11.513 3.433 1.00 0.00 C ATOM 0 H LEU A 26 -1.037 -11.253 1.963 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.658 -13.554 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.842 -11.473 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.129 -12.525 0.789 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.876 -10.204 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.180 -9.333 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.559 -9.616 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.705 -10.767 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.415 -10.732 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.910 -12.220 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.235 -12.036 3.853 1.00 0.00 H new ATOM 413 N ALA A 27 -0.916 -13.404 -0.361 1.00 0.00 N ATOM 414 CA ALA A 27 -0.421 -14.201 -1.476 1.00 0.00 C ATOM 415 C ALA A 27 0.221 -15.494 -0.985 1.00 0.00 C ATOM 416 O ALA A 27 -0.108 -16.580 -1.461 1.00 0.00 O ATOM 417 CB ALA A 27 0.573 -13.396 -2.300 1.00 0.00 C ATOM 0 H ALA A 27 -0.544 -12.455 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.270 -14.465 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.935 -14.004 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.084 -12.504 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.414 -13.103 -1.671 1.00 0.00 H new ATOM 423 N GLN A 28 1.137 -15.369 -0.031 1.00 0.00 N ATOM 424 CA GLN A 28 1.826 -16.529 0.523 1.00 0.00 C ATOM 425 C GLN A 28 0.850 -17.440 1.262 1.00 0.00 C ATOM 426 O GLN A 28 1.006 -18.660 1.261 1.00 0.00 O ATOM 427 CB GLN A 28 2.941 -16.082 1.470 1.00 0.00 C ATOM 428 CG GLN A 28 2.453 -15.214 2.619 1.00 0.00 C ATOM 429 CD GLN A 28 3.390 -15.240 3.810 1.00 0.00 C ATOM 430 OE1 GLN A 28 4.513 -15.737 3.720 1.00 0.00 O ATOM 431 NE2 GLN A 28 2.933 -14.703 4.935 1.00 0.00 N ATOM 0 H GLN A 28 1.420 -14.477 0.375 1.00 0.00 H new ATOM 0 HA GLN A 28 2.263 -17.089 -0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.436 -16.964 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.690 -15.530 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.342 -14.187 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.465 -15.553 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.996 -14.302 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.519 -14.691 5.770 1.00 0.00 H new ATOM 440 N GLN A 29 -0.154 -16.837 1.890 1.00 0.00 N ATOM 441 CA GLN A 29 -1.154 -17.595 2.633 1.00 0.00 C ATOM 442 C GLN A 29 -2.120 -18.297 1.684 1.00 0.00 C ATOM 443 O GLN A 29 -2.643 -19.367 1.996 1.00 0.00 O ATOM 444 CB GLN A 29 -1.927 -16.672 3.576 1.00 0.00 C ATOM 445 CG GLN A 29 -1.311 -16.562 4.961 1.00 0.00 C ATOM 446 CD GLN A 29 -2.339 -16.271 6.036 1.00 0.00 C ATOM 447 OE1 GLN A 29 -3.356 -16.957 6.141 1.00 0.00 O ATOM 448 NE2 GLN A 29 -2.079 -15.249 6.844 1.00 0.00 N ATOM 0 H GLN A 29 -0.297 -15.827 1.899 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.636 -18.353 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.983 -15.678 3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.950 -17.037 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.795 -17.492 5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.560 -15.772 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.224 -14.707 6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.735 -15.007 7.587 1.00 0.00 H new ATOM 457 N ASN A 30 -2.353 -17.688 0.526 1.00 0.00 N ATOM 458 CA ASN A 30 -3.257 -18.255 -0.467 1.00 0.00 C ATOM 459 C ASN A 30 -2.639 -18.196 -1.861 1.00 0.00 C ATOM 460 O ASN A 30 -2.904 -17.286 -2.647 1.00 0.00 O ATOM 461 CB ASN A 30 -4.592 -17.508 -0.457 1.00 0.00 C ATOM 462 CG ASN A 30 -5.291 -17.591 0.886 1.00 0.00 C ATOM 463 OD1 ASN A 30 -5.643 -18.676 1.349 1.00 0.00 O ATOM 464 ND2 ASN A 30 -5.495 -16.442 1.519 1.00 0.00 N ATOM 0 H ASN A 30 -1.928 -16.802 0.252 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.431 -19.300 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.422 -16.462 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.242 -17.921 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.960 -16.435 2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.186 -15.566 1.098 1.00 0.00 H new ATOM 471 N PRO A 31 -1.797 -19.191 -2.177 1.00 0.00 N ATOM 472 CA PRO A 31 -1.125 -19.276 -3.477 1.00 0.00 C ATOM 473 C PRO A 31 -2.092 -19.604 -4.610 1.00 0.00 C ATOM 474 O PRO A 31 -1.710 -19.624 -5.780 1.00 0.00 O ATOM 475 CB PRO A 31 -0.122 -20.416 -3.284 1.00 0.00 C ATOM 476 CG PRO A 31 -0.707 -21.257 -2.203 1.00 0.00 C ATOM 477 CD PRO A 31 -1.436 -20.309 -1.290 1.00 0.00 C ATOM 0 HA PRO A 31 -0.666 -18.329 -3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.009 -20.987 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.860 -20.036 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.387 -22.004 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.071 -21.797 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.318 -20.774 -0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.804 -19.980 -0.465 1.00 0.00 H new ATOM 485 N ASP A 32 -3.346 -19.861 -4.254 1.00 0.00 N ATOM 486 CA ASP A 32 -4.369 -20.187 -5.241 1.00 0.00 C ATOM 487 C ASP A 32 -5.356 -19.034 -5.402 1.00 0.00 C ATOM 488 O ASP A 32 -6.078 -18.956 -6.396 1.00 0.00 O ATOM 489 CB ASP A 32 -5.114 -21.459 -4.834 1.00 0.00 C ATOM 490 CG ASP A 32 -5.697 -22.195 -6.025 1.00 0.00 C ATOM 491 OD1 ASP A 32 -4.940 -22.476 -6.977 1.00 0.00 O ATOM 492 OD2 ASP A 32 -6.911 -22.489 -6.005 1.00 0.00 O ATOM 0 H ASP A 32 -3.678 -19.850 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.875 -20.355 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.432 -22.121 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.916 -21.201 -4.142 1.00 0.00 H new ATOM 497 N LEU A 33 -5.381 -18.142 -4.418 1.00 0.00 N ATOM 498 CA LEU A 33 -6.280 -16.994 -4.449 1.00 0.00 C ATOM 499 C LEU A 33 -5.658 -15.837 -5.225 1.00 0.00 C ATOM 500 O LEU A 33 -4.439 -15.762 -5.377 1.00 0.00 O ATOM 501 CB LEU A 33 -6.617 -16.546 -3.026 1.00 0.00 C ATOM 502 CG LEU A 33 -7.547 -17.466 -2.235 1.00 0.00 C ATOM 503 CD1 LEU A 33 -7.974 -16.803 -0.934 1.00 0.00 C ATOM 504 CD2 LEU A 33 -8.763 -17.840 -3.069 1.00 0.00 C ATOM 0 H LEU A 33 -4.789 -18.192 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.197 -17.295 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.686 -16.439 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.073 -15.557 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.003 -18.379 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.636 -17.473 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.093 -16.587 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.500 -15.874 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.414 -18.495 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.308 -16.937 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.440 -18.356 -3.973 1.00 0.00 H new ATOM 516 N HIS A 34 -6.505 -14.935 -5.712 1.00 0.00 N ATOM 517 CA HIS A 34 -6.038 -13.780 -6.470 1.00 0.00 C ATOM 518 C HIS A 34 -6.493 -12.480 -5.813 1.00 0.00 C ATOM 519 O HIS A 34 -7.272 -12.493 -4.861 1.00 0.00 O ATOM 520 CB HIS A 34 -6.552 -13.845 -7.908 1.00 0.00 C ATOM 521 CG HIS A 34 -8.047 -13.852 -8.010 1.00 0.00 C ATOM 522 ND1 HIS A 34 -8.785 -12.729 -8.318 1.00 0.00 N ATOM 523 CD2 HIS A 34 -8.941 -14.854 -7.845 1.00 0.00 C ATOM 524 CE1 HIS A 34 -10.069 -13.040 -8.336 1.00 0.00 C ATOM 525 NE2 HIS A 34 -10.190 -14.324 -8.052 1.00 0.00 N ATOM 0 H HIS A 34 -7.517 -14.982 -5.595 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.948 -13.800 -6.481 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.162 -12.992 -8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.159 -14.743 -8.385 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.400 -11.803 -8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.714 -15.880 -7.597 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.881 -12.360 -8.547 1.00 0.00 H new ATOM 534 N ASN A 35 -6.000 -11.358 -6.328 1.00 0.00 N ATOM 535 CA ASN A 35 -6.354 -10.049 -5.791 1.00 0.00 C ATOM 536 C ASN A 35 -7.783 -10.050 -5.256 1.00 0.00 C ATOM 537 O ASN A 35 -8.003 -10.031 -4.045 1.00 0.00 O ATOM 538 CB ASN A 35 -6.202 -8.974 -6.868 1.00 0.00 C ATOM 539 CG ASN A 35 -6.306 -9.542 -8.271 1.00 0.00 C ATOM 540 OD1 ASN A 35 -7.397 -9.866 -8.742 1.00 0.00 O ATOM 541 ND2 ASN A 35 -5.169 -9.665 -8.945 1.00 0.00 N ATOM 0 H ASN A 35 -5.354 -11.329 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.676 -9.826 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.970 -8.213 -6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.238 -8.479 -6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.176 -10.041 -9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.288 -9.384 -8.515 1.00 0.00 H new ATOM 548 N ALA A 36 -8.750 -10.073 -6.167 1.00 0.00 N ATOM 549 CA ALA A 36 -10.158 -10.079 -5.787 1.00 0.00 C ATOM 550 C ALA A 36 -10.380 -10.896 -4.519 1.00 0.00 C ATOM 551 O ALA A 36 -11.158 -10.507 -3.648 1.00 0.00 O ATOM 552 CB ALA A 36 -11.009 -10.624 -6.924 1.00 0.00 C ATOM 0 H ALA A 36 -8.585 -10.088 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.459 -9.051 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.058 -10.623 -6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.881 -9.997 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.699 -11.643 -7.155 1.00 0.00 H new ATOM 558 N GLU A 37 -9.693 -12.030 -4.422 1.00 0.00 N ATOM 559 CA GLU A 37 -9.818 -12.901 -3.259 1.00 0.00 C ATOM 560 C GLU A 37 -9.059 -12.329 -2.066 1.00 0.00 C ATOM 561 O GLU A 37 -9.530 -12.389 -0.929 1.00 0.00 O ATOM 562 CB GLU A 37 -9.297 -14.302 -3.586 1.00 0.00 C ATOM 563 CG GLU A 37 -10.184 -15.073 -4.549 1.00 0.00 C ATOM 564 CD GLU A 37 -11.245 -15.890 -3.838 1.00 0.00 C ATOM 565 OE1 GLU A 37 -11.677 -15.476 -2.742 1.00 0.00 O ATOM 566 OE2 GLU A 37 -11.643 -16.944 -4.377 1.00 0.00 O ATOM 0 H GLU A 37 -9.045 -12.367 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.874 -12.966 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.298 -14.218 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.201 -14.870 -2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.666 -14.374 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.566 -15.736 -5.155 1.00 0.00 H new ATOM 573 N LEU A 38 -7.881 -11.775 -2.333 1.00 0.00 N ATOM 574 CA LEU A 38 -7.055 -11.192 -1.281 1.00 0.00 C ATOM 575 C LEU A 38 -7.756 -10.002 -0.634 1.00 0.00 C ATOM 576 O LEU A 38 -7.837 -9.908 0.590 1.00 0.00 O ATOM 577 CB LEU A 38 -5.704 -10.755 -1.851 1.00 0.00 C ATOM 578 CG LEU A 38 -4.992 -11.770 -2.745 1.00 0.00 C ATOM 579 CD1 LEU A 38 -3.586 -11.295 -3.078 1.00 0.00 C ATOM 580 CD2 LEU A 38 -4.949 -13.135 -2.072 1.00 0.00 C ATOM 0 H LEU A 38 -7.477 -11.717 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.892 -11.952 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.853 -9.839 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.044 -10.508 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.553 -11.862 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.095 -12.030 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.639 -10.340 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.015 -11.174 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.439 -13.845 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.412 -13.058 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.966 -13.480 -1.884 1.00 0.00 H new ATOM 592 N SER A 39 -8.263 -9.097 -1.465 1.00 0.00 N ATOM 593 CA SER A 39 -8.956 -7.912 -0.974 1.00 0.00 C ATOM 594 C SER A 39 -9.912 -8.272 0.159 1.00 0.00 C ATOM 595 O SER A 39 -9.838 -7.711 1.253 1.00 0.00 O ATOM 596 CB SER A 39 -9.727 -7.238 -2.111 1.00 0.00 C ATOM 597 OG SER A 39 -9.764 -5.832 -1.939 1.00 0.00 O ATOM 0 H SER A 39 -8.207 -9.162 -2.481 1.00 0.00 H new ATOM 0 HA SER A 39 -8.209 -7.218 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.258 -7.479 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.743 -7.630 -2.148 1.00 0.00 H new ATOM 0 HG SER A 39 -10.261 -5.425 -2.679 1.00 0.00 H new ATOM 603 N LYS A 40 -10.810 -9.214 -0.109 1.00 0.00 N ATOM 604 CA LYS A 40 -11.781 -9.653 0.886 1.00 0.00 C ATOM 605 C LYS A 40 -11.163 -9.662 2.281 1.00 0.00 C ATOM 606 O LYS A 40 -11.852 -9.441 3.277 1.00 0.00 O ATOM 607 CB LYS A 40 -12.303 -11.048 0.539 1.00 0.00 C ATOM 608 CG LYS A 40 -13.229 -11.069 -0.666 1.00 0.00 C ATOM 609 CD LYS A 40 -14.683 -10.914 -0.254 1.00 0.00 C ATOM 610 CE LYS A 40 -15.626 -11.322 -1.376 1.00 0.00 C ATOM 611 NZ LYS A 40 -16.925 -11.826 -0.852 1.00 0.00 N ATOM 0 H LYS A 40 -10.885 -9.689 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.613 -8.949 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.456 -11.706 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.833 -11.453 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.956 -10.265 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.101 -12.006 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.880 -11.524 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.875 -9.878 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.805 -10.468 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.155 -12.095 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.540 -12.094 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.757 -12.657 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.387 -11.080 -0.293 1.00 0.00 H new ATOM 625 N MET A 41 -9.861 -9.920 2.345 1.00 0.00 N ATOM 626 CA MET A 41 -9.150 -9.955 3.618 1.00 0.00 C ATOM 627 C MET A 41 -8.532 -8.597 3.934 1.00 0.00 C ATOM 628 O MET A 41 -8.492 -8.175 5.090 1.00 0.00 O ATOM 629 CB MET A 41 -8.062 -11.030 3.590 1.00 0.00 C ATOM 630 CG MET A 41 -8.545 -12.370 3.058 1.00 0.00 C ATOM 631 SD MET A 41 -7.194 -13.523 2.750 1.00 0.00 S ATOM 632 CE MET A 41 -7.382 -13.804 0.991 1.00 0.00 C ATOM 0 H MET A 41 -9.277 -10.108 1.530 1.00 0.00 H new ATOM 0 HA MET A 41 -9.869 -10.197 4.400 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.234 -10.681 2.974 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.673 -11.168 4.599 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.239 -12.812 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 41 -9.100 -12.211 2.133 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.399 -13.861 0.524 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.916 -14.740 0.827 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.946 -12.982 0.550 1.00 0.00 H new ATOM 642 N LEU A 42 -8.050 -7.917 2.899 1.00 0.00 N ATOM 643 CA LEU A 42 -7.433 -6.606 3.066 1.00 0.00 C ATOM 644 C LEU A 42 -8.453 -5.581 3.552 1.00 0.00 C ATOM 645 O LEU A 42 -8.099 -4.591 4.189 1.00 0.00 O ATOM 646 CB LEU A 42 -6.813 -6.140 1.747 1.00 0.00 C ATOM 647 CG LEU A 42 -5.660 -6.989 1.211 1.00 0.00 C ATOM 648 CD1 LEU A 42 -5.241 -6.509 -0.170 1.00 0.00 C ATOM 649 CD2 LEU A 42 -4.480 -6.952 2.171 1.00 0.00 C ATOM 0 H LEU A 42 -8.075 -8.252 1.936 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.649 -6.695 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.597 -6.109 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.456 -5.119 1.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.002 -8.020 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.419 -7.125 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.086 -6.588 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.917 -5.470 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.668 -7.562 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.138 -5.924 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.787 -7.344 3.140 1.00 0.00 H new ATOM 661 N GLY A 43 -9.724 -5.828 3.247 1.00 0.00 N ATOM 662 CA GLY A 43 -10.776 -4.920 3.662 1.00 0.00 C ATOM 663 C GLY A 43 -11.130 -5.072 5.128 1.00 0.00 C ATOM 664 O GLY A 43 -11.068 -4.110 5.893 1.00 0.00 O ATOM 0 H GLY A 43 -10.043 -6.641 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.461 -3.894 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.665 -5.098 3.057 1.00 0.00 H new ATOM 668 N LYS A 44 -11.503 -6.285 5.522 1.00 0.00 N ATOM 669 CA LYS A 44 -11.868 -6.562 6.906 1.00 0.00 C ATOM 670 C LYS A 44 -10.794 -6.056 7.864 1.00 0.00 C ATOM 671 O LYS A 44 -11.098 -5.601 8.966 1.00 0.00 O ATOM 672 CB LYS A 44 -12.081 -8.064 7.108 1.00 0.00 C ATOM 673 CG LYS A 44 -10.837 -8.895 6.845 1.00 0.00 C ATOM 674 CD LYS A 44 -10.998 -10.317 7.354 1.00 0.00 C ATOM 675 CE LYS A 44 -11.730 -11.191 6.346 1.00 0.00 C ATOM 676 NZ LYS A 44 -13.205 -11.148 6.542 1.00 0.00 N ATOM 0 H LYS A 44 -11.560 -7.093 4.902 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.799 -6.037 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.417 -8.241 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.880 -8.401 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.629 -8.912 5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.978 -8.429 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.017 -10.743 7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.547 -10.308 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.488 -10.861 5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.382 -12.220 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.572 -12.117 6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.425 -10.617 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.650 -10.680 5.727 1.00 0.00 H new ATOM 690 N SER A 45 -9.539 -6.137 7.434 1.00 0.00 N ATOM 691 CA SER A 45 -8.420 -5.690 8.255 1.00 0.00 C ATOM 692 C SER A 45 -8.270 -4.173 8.188 1.00 0.00 C ATOM 693 O SER A 45 -7.802 -3.542 9.136 1.00 0.00 O ATOM 694 CB SER A 45 -7.124 -6.363 7.799 1.00 0.00 C ATOM 695 OG SER A 45 -7.036 -7.688 8.293 1.00 0.00 O ATOM 0 H SER A 45 -9.272 -6.508 6.522 1.00 0.00 H new ATOM 0 HA SER A 45 -8.623 -5.973 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.080 -6.374 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.268 -5.784 8.147 1.00 0.00 H new ATOM 0 HG SER A 45 -6.200 -8.097 7.986 1.00 0.00 H new ATOM 701 N TRP A 46 -8.669 -3.595 7.061 1.00 0.00 N ATOM 702 CA TRP A 46 -8.579 -2.152 6.869 1.00 0.00 C ATOM 703 C TRP A 46 -9.552 -1.419 7.786 1.00 0.00 C ATOM 704 O TRP A 46 -9.142 -0.736 8.725 1.00 0.00 O ATOM 705 CB TRP A 46 -8.865 -1.792 5.410 1.00 0.00 C ATOM 706 CG TRP A 46 -8.797 -0.320 5.137 1.00 0.00 C ATOM 707 CD1 TRP A 46 -9.814 0.480 4.698 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.653 0.528 5.284 1.00 0.00 C ATOM 709 NE1 TRP A 46 -9.370 1.773 4.563 1.00 0.00 N ATOM 710 CE2 TRP A 46 -8.048 1.829 4.917 1.00 0.00 C ATOM 711 CE3 TRP A 46 -6.333 0.314 5.691 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -7.169 2.909 4.944 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.462 1.387 5.717 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.883 2.671 5.347 1.00 0.00 C ATOM 0 H TRP A 46 -9.058 -4.103 6.267 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.566 -1.840 7.121 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -8.149 -2.307 4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.855 -2.159 5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -10.819 0.145 4.488 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.934 2.563 4.250 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.000 -0.672 5.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -7.491 3.899 4.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.439 1.233 6.028 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.179 3.489 5.380 1.00 0.00 H new ATOM 725 N LYS A 47 -10.843 -1.564 7.509 1.00 0.00 N ATOM 726 CA LYS A 47 -11.876 -0.917 8.310 1.00 0.00 C ATOM 727 C LYS A 47 -11.587 -1.073 9.799 1.00 0.00 C ATOM 728 O LYS A 47 -11.800 -0.148 10.582 1.00 0.00 O ATOM 729 CB LYS A 47 -13.249 -1.507 7.982 1.00 0.00 C ATOM 730 CG LYS A 47 -13.977 -0.773 6.870 1.00 0.00 C ATOM 731 CD LYS A 47 -14.955 -1.683 6.147 1.00 0.00 C ATOM 732 CE LYS A 47 -14.235 -2.653 5.222 1.00 0.00 C ATOM 733 NZ LYS A 47 -13.576 -1.951 4.087 1.00 0.00 N ATOM 0 H LYS A 47 -11.200 -2.124 6.735 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.876 0.146 8.067 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.127 -2.552 7.697 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.866 -1.491 8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.512 0.080 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.252 -0.378 6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.541 -2.242 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.656 -1.080 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.488 -3.208 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.947 -3.381 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.365 -2.634 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.211 -1.214 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.691 -1.514 4.416 1.00 0.00 H new ATOM 747 N ALA A 48 -11.098 -2.248 10.183 1.00 0.00 N ATOM 748 CA ALA A 48 -10.777 -2.523 11.578 1.00 0.00 C ATOM 749 C ALA A 48 -9.777 -1.508 12.121 1.00 0.00 C ATOM 750 O ALA A 48 -9.852 -1.108 13.284 1.00 0.00 O ATOM 751 CB ALA A 48 -10.230 -3.935 11.725 1.00 0.00 C ATOM 0 H ALA A 48 -10.916 -3.025 9.547 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.695 -2.438 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.994 -4.127 12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.977 -4.652 11.384 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.326 -4.039 11.125 1.00 0.00 H new ATOM 757 N LEU A 49 -8.841 -1.094 11.273 1.00 0.00 N ATOM 758 CA LEU A 49 -7.825 -0.125 11.669 1.00 0.00 C ATOM 759 C LEU A 49 -8.466 1.189 12.104 1.00 0.00 C ATOM 760 O LEU A 49 -9.614 1.477 11.761 1.00 0.00 O ATOM 761 CB LEU A 49 -6.855 0.127 10.513 1.00 0.00 C ATOM 762 CG LEU A 49 -5.964 -1.051 10.116 1.00 0.00 C ATOM 763 CD1 LEU A 49 -5.301 -0.790 8.773 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.917 -1.313 11.189 1.00 0.00 C ATOM 0 H LEU A 49 -8.765 -1.414 10.308 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.275 -0.538 12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.433 0.430 9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.214 0.968 10.779 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.589 -1.939 10.022 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.671 -1.639 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.067 -0.653 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.689 0.110 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.292 -2.154 10.890 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.296 -0.426 11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.412 -1.546 12.132 1.00 0.00 H new ATOM 776 N THR A 50 -7.717 1.985 12.860 1.00 0.00 N ATOM 777 CA THR A 50 -8.211 3.269 13.342 1.00 0.00 C ATOM 778 C THR A 50 -7.532 4.426 12.617 1.00 0.00 C ATOM 779 O THR A 50 -6.576 4.227 11.866 1.00 0.00 O ATOM 780 CB THR A 50 -7.986 3.425 14.858 1.00 0.00 C ATOM 781 OG1 THR A 50 -6.583 3.440 15.146 1.00 0.00 O ATOM 782 CG2 THR A 50 -8.653 2.293 15.623 1.00 0.00 C ATOM 0 H THR A 50 -6.765 1.763 13.152 1.00 0.00 H new ATOM 0 HA THR A 50 -9.281 3.293 13.137 1.00 0.00 H new ATOM 0 HB THR A 50 -8.432 4.368 15.174 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.448 3.541 16.111 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.480 2.425 16.691 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.725 2.302 15.425 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.233 1.340 15.302 1.00 0.00 H new ATOM 790 N LEU A 51 -8.031 5.636 12.847 1.00 0.00 N ATOM 791 CA LEU A 51 -7.471 6.826 12.216 1.00 0.00 C ATOM 792 C LEU A 51 -5.957 6.877 12.395 1.00 0.00 C ATOM 793 O LEU A 51 -5.208 6.899 11.419 1.00 0.00 O ATOM 794 CB LEU A 51 -8.108 8.086 12.805 1.00 0.00 C ATOM 795 CG LEU A 51 -7.773 9.401 12.099 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.501 10.006 12.673 1.00 0.00 C ATOM 797 CD2 LEU A 51 -7.632 9.180 10.600 1.00 0.00 C ATOM 0 H LEU A 51 -8.822 5.819 13.465 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.690 6.779 11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.191 7.959 12.798 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.803 8.169 13.848 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.591 10.101 12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.278 10.941 12.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.639 10.201 13.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.673 9.310 12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.394 10.126 10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.833 8.463 10.411 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.569 8.792 10.200 1.00 0.00 H new ATOM 809 N ALA A 52 -5.515 6.893 13.648 1.00 0.00 N ATOM 810 CA ALA A 52 -4.090 6.937 13.954 1.00 0.00 C ATOM 811 C ALA A 52 -3.325 5.884 13.159 1.00 0.00 C ATOM 812 O ALA A 52 -2.165 6.085 12.801 1.00 0.00 O ATOM 813 CB ALA A 52 -3.865 6.741 15.446 1.00 0.00 C ATOM 0 H ALA A 52 -6.122 6.876 14.467 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.712 7.918 13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.797 6.776 15.661 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.372 7.533 15.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.265 5.774 15.750 1.00 0.00 H new ATOM 819 N GLU A 53 -3.983 4.761 12.886 1.00 0.00 N ATOM 820 CA GLU A 53 -3.363 3.676 12.134 1.00 0.00 C ATOM 821 C GLU A 53 -3.310 4.007 10.645 1.00 0.00 C ATOM 822 O GLU A 53 -2.370 3.629 9.946 1.00 0.00 O ATOM 823 CB GLU A 53 -4.132 2.371 12.351 1.00 0.00 C ATOM 824 CG GLU A 53 -3.815 1.690 13.672 1.00 0.00 C ATOM 825 CD GLU A 53 -2.450 1.030 13.675 1.00 0.00 C ATOM 826 OE1 GLU A 53 -2.269 0.041 12.934 1.00 0.00 O ATOM 827 OE2 GLU A 53 -1.564 1.500 14.418 1.00 0.00 O ATOM 0 H GLU A 53 -4.944 4.579 13.174 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.343 3.553 12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.201 2.577 12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.905 1.685 11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.861 2.425 14.476 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.578 0.940 13.882 1.00 0.00 H new ATOM 834 N LYS A 54 -4.327 4.716 10.166 1.00 0.00 N ATOM 835 CA LYS A 54 -4.398 5.099 8.762 1.00 0.00 C ATOM 836 C LYS A 54 -3.651 6.406 8.516 1.00 0.00 C ATOM 837 O LYS A 54 -3.458 6.816 7.371 1.00 0.00 O ATOM 838 CB LYS A 54 -5.858 5.244 8.325 1.00 0.00 C ATOM 839 CG LYS A 54 -6.705 4.019 8.619 1.00 0.00 C ATOM 840 CD LYS A 54 -8.189 4.338 8.552 1.00 0.00 C ATOM 841 CE LYS A 54 -8.710 4.271 7.124 1.00 0.00 C ATOM 842 NZ LYS A 54 -10.059 4.888 6.996 1.00 0.00 N ATOM 0 H LYS A 54 -5.114 5.037 10.731 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.925 4.314 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.295 6.107 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.890 5.449 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.468 3.232 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.459 3.634 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.742 3.635 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.367 5.333 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.013 4.781 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.755 3.231 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.379 4.822 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.730 4.386 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.012 5.888 7.279 1.00 0.00 H new ATOM 856 N ARG A 55 -3.231 7.055 9.597 1.00 0.00 N ATOM 857 CA ARG A 55 -2.505 8.315 9.498 1.00 0.00 C ATOM 858 C ARG A 55 -1.274 8.164 8.608 1.00 0.00 C ATOM 859 O ARG A 55 -1.048 8.943 7.682 1.00 0.00 O ATOM 860 CB ARG A 55 -2.086 8.798 10.888 1.00 0.00 C ATOM 861 CG ARG A 55 -2.111 10.310 11.040 1.00 0.00 C ATOM 862 CD ARG A 55 -3.507 10.814 11.369 1.00 0.00 C ATOM 863 NE ARG A 55 -3.648 12.244 11.109 1.00 0.00 N ATOM 864 CZ ARG A 55 -3.743 12.763 9.891 1.00 0.00 C ATOM 865 NH1 ARG A 55 -3.712 11.974 8.826 1.00 0.00 N ATOM 866 NH2 ARG A 55 -3.869 14.075 9.735 1.00 0.00 N ATOM 0 H ARG A 55 -3.381 6.729 10.552 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.169 9.054 9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.748 8.355 11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.080 8.436 11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.420 10.609 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.763 10.775 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.240 10.264 10.778 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.727 10.613 12.417 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.675 12.879 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.615 10.965 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.785 12.376 7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.893 14.686 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.942 14.473 8.799 1.00 0.00 H new ATOM 880 N PRO A 56 -0.458 7.139 8.895 1.00 0.00 N ATOM 881 CA PRO A 56 0.763 6.862 8.132 1.00 0.00 C ATOM 882 C PRO A 56 0.466 6.360 6.724 1.00 0.00 C ATOM 883 O PRO A 56 1.234 6.602 5.793 1.00 0.00 O ATOM 884 CB PRO A 56 1.454 5.771 8.954 1.00 0.00 C ATOM 885 CG PRO A 56 0.351 5.100 9.697 1.00 0.00 C ATOM 886 CD PRO A 56 -0.666 6.170 9.984 1.00 0.00 C ATOM 0 HA PRO A 56 1.368 7.758 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.984 5.067 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.190 6.196 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.085 4.296 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.718 4.653 10.621 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.681 5.772 9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.506 6.624 10.962 1.00 0.00 H new ATOM 894 N PHE A 57 -0.654 5.659 6.574 1.00 0.00 N ATOM 895 CA PHE A 57 -1.052 5.122 5.278 1.00 0.00 C ATOM 896 C PHE A 57 -1.947 6.109 4.533 1.00 0.00 C ATOM 897 O PHE A 57 -2.229 5.934 3.347 1.00 0.00 O ATOM 898 CB PHE A 57 -1.782 3.789 5.457 1.00 0.00 C ATOM 899 CG PHE A 57 -1.046 2.816 6.333 1.00 0.00 C ATOM 900 CD1 PHE A 57 0.160 2.271 5.924 1.00 0.00 C ATOM 901 CD2 PHE A 57 -1.561 2.446 7.565 1.00 0.00 C ATOM 902 CE1 PHE A 57 0.840 1.375 6.728 1.00 0.00 C ATOM 903 CE2 PHE A 57 -0.885 1.551 8.373 1.00 0.00 C ATOM 904 CZ PHE A 57 0.316 1.014 7.953 1.00 0.00 C ATOM 0 H PHE A 57 -1.301 5.450 7.334 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.151 4.958 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.767 3.978 5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.941 3.336 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.574 2.549 4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.501 2.861 7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.780 0.958 6.398 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.296 1.272 9.332 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.844 0.313 8.582 1.00 0.00 H new ATOM 914 N VAL A 58 -2.390 7.145 5.237 1.00 0.00 N ATOM 915 CA VAL A 58 -3.252 8.160 4.643 1.00 0.00 C ATOM 916 C VAL A 58 -2.435 9.332 4.110 1.00 0.00 C ATOM 917 O VAL A 58 -2.756 9.902 3.068 1.00 0.00 O ATOM 918 CB VAL A 58 -4.282 8.687 5.660 1.00 0.00 C ATOM 919 CG1 VAL A 58 -4.848 10.023 5.203 1.00 0.00 C ATOM 920 CG2 VAL A 58 -5.394 7.670 5.866 1.00 0.00 C ATOM 0 H VAL A 58 -2.166 7.304 6.219 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.779 7.683 3.817 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.779 8.840 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.574 10.380 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.040 10.748 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.337 9.900 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.113 8.058 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.897 7.483 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.970 6.739 6.241 1.00 0.00 H new ATOM 930 N GLU A 59 -1.377 9.685 4.833 1.00 0.00 N ATOM 931 CA GLU A 59 -0.513 10.790 4.432 1.00 0.00 C ATOM 932 C GLU A 59 0.404 10.376 3.285 1.00 0.00 C ATOM 933 O GLU A 59 1.038 11.217 2.649 1.00 0.00 O ATOM 934 CB GLU A 59 0.323 11.270 5.621 1.00 0.00 C ATOM 935 CG GLU A 59 -0.508 11.657 6.833 1.00 0.00 C ATOM 936 CD GLU A 59 -0.935 13.112 6.806 1.00 0.00 C ATOM 937 OE1 GLU A 59 -1.813 13.457 5.987 1.00 0.00 O ATOM 938 OE2 GLU A 59 -0.393 13.905 7.603 1.00 0.00 O ATOM 0 H GLU A 59 -1.097 9.223 5.698 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.147 11.607 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.020 10.482 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.920 12.128 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.393 11.023 6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.067 11.468 7.739 1.00 0.00 H new ATOM 945 N GLU A 60 0.469 9.073 3.028 1.00 0.00 N ATOM 946 CA GLU A 60 1.310 8.547 1.959 1.00 0.00 C ATOM 947 C GLU A 60 0.537 8.474 0.646 1.00 0.00 C ATOM 948 O GLU A 60 0.926 9.083 -0.350 1.00 0.00 O ATOM 949 CB GLU A 60 1.837 7.160 2.331 1.00 0.00 C ATOM 950 CG GLU A 60 2.307 6.347 1.136 1.00 0.00 C ATOM 951 CD GLU A 60 3.393 5.353 1.497 1.00 0.00 C ATOM 952 OE1 GLU A 60 4.080 5.570 2.518 1.00 0.00 O ATOM 953 OE2 GLU A 60 3.557 4.358 0.761 1.00 0.00 O ATOM 0 H GLU A 60 -0.050 8.363 3.545 1.00 0.00 H new ATOM 0 HA GLU A 60 2.153 9.225 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.664 7.271 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.052 6.609 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.458 5.813 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.679 7.022 0.366 1.00 0.00 H new ATOM 960 N ALA A 61 -0.560 7.723 0.652 1.00 0.00 N ATOM 961 CA ALA A 61 -1.388 7.571 -0.538 1.00 0.00 C ATOM 962 C ALA A 61 -1.731 8.927 -1.145 1.00 0.00 C ATOM 963 O ALA A 61 -1.718 9.092 -2.365 1.00 0.00 O ATOM 964 CB ALA A 61 -2.659 6.806 -0.201 1.00 0.00 C ATOM 0 H ALA A 61 -0.896 7.211 1.468 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.820 7.005 -1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.268 6.700 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.399 5.819 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.222 7.351 0.557 1.00 0.00 H new ATOM 970 N GLU A 62 -2.037 9.895 -0.287 1.00 0.00 N ATOM 971 CA GLU A 62 -2.384 11.237 -0.741 1.00 0.00 C ATOM 972 C GLU A 62 -1.280 11.817 -1.620 1.00 0.00 C ATOM 973 O GLU A 62 -1.551 12.523 -2.591 1.00 0.00 O ATOM 974 CB GLU A 62 -2.634 12.156 0.456 1.00 0.00 C ATOM 975 CG GLU A 62 -2.735 13.626 0.085 1.00 0.00 C ATOM 976 CD GLU A 62 -3.598 14.414 1.051 1.00 0.00 C ATOM 977 OE1 GLU A 62 -3.255 14.458 2.251 1.00 0.00 O ATOM 978 OE2 GLU A 62 -4.616 14.986 0.608 1.00 0.00 O ATOM 0 H GLU A 62 -2.052 9.775 0.726 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.297 11.167 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.556 11.851 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.827 12.027 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.735 14.060 0.060 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.147 13.716 -0.920 1.00 0.00 H new ATOM 985 N ARG A 63 -0.034 11.513 -1.271 1.00 0.00 N ATOM 986 CA ARG A 63 1.112 12.005 -2.026 1.00 0.00 C ATOM 987 C ARG A 63 1.187 11.339 -3.396 1.00 0.00 C ATOM 988 O ARG A 63 1.538 11.976 -4.390 1.00 0.00 O ATOM 989 CB ARG A 63 2.407 11.751 -1.252 1.00 0.00 C ATOM 990 CG ARG A 63 2.503 12.532 0.048 1.00 0.00 C ATOM 991 CD ARG A 63 3.609 11.993 0.942 1.00 0.00 C ATOM 992 NE ARG A 63 4.904 12.591 0.631 1.00 0.00 N ATOM 993 CZ ARG A 63 6.066 12.064 1.003 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.093 10.933 1.694 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.203 12.668 0.681 1.00 0.00 N ATOM 0 H ARG A 63 0.207 10.929 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 63 0.987 13.078 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.486 10.686 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.255 12.010 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.691 13.583 -0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.550 12.481 0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.360 12.189 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.673 10.911 0.828 1.00 0.00 H new ATOM 0 HE ARG A 63 4.918 13.461 0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.221 10.465 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.986 10.530 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.185 13.537 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.094 12.263 0.967 1.00 0.00 H new