USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 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 Single : A 10 LYS NZ :NH3+ -164:sc= -0.0129 (180deg=-0.155) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.525 K(o=0.53,f=-4.4!) USER MOD Single : A 19 THR OG1 : rot 7:sc= 0.134 USER MOD Single : A 31 TYR OH : rot 180:sc= -1.33! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 11:sc= 0.617 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= -0.169 (180deg=-0.892) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.205) USER MOD Single : A 50 MET CE :methyl 169:sc= -1.88 (180deg=-2.14) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= -0.283 USER MOD Single : A 70 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.065 12.676 8.702 1.00 0.00 N ATOM 95 CA LYS A 10 0.615 12.737 7.353 1.00 0.00 C ATOM 96 C LYS A 10 1.596 11.595 7.113 1.00 0.00 C ATOM 97 O LYS A 10 1.277 10.621 6.429 1.00 0.00 O ATOM 98 CB LYS A 10 1.313 14.080 7.125 1.00 0.00 C ATOM 99 CG LYS A 10 0.394 15.278 7.287 1.00 0.00 C ATOM 100 CD LYS A 10 -0.632 15.351 6.168 1.00 0.00 C ATOM 101 CE LYS A 10 -1.885 16.092 6.607 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.704 15.284 7.553 1.00 0.00 N ATOM 0 HA LYS A 10 -0.209 12.638 6.647 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.143 14.172 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.739 14.093 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.118 15.217 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.986 16.193 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.195 15.853 5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.897 14.343 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.604 17.032 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.484 16.344 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.660 15.689 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.766 14.304 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.259 15.293 8.493 1.00 0.00 H new ATOM 116 N LYS A 11 2.791 11.719 7.681 1.00 0.00 N ATOM 117 CA LYS A 11 3.819 10.695 7.531 1.00 0.00 C ATOM 118 C LYS A 11 3.358 9.369 8.127 1.00 0.00 C ATOM 119 O LYS A 11 2.428 9.313 8.932 1.00 0.00 O ATOM 120 CB LYS A 11 5.117 11.146 8.205 1.00 0.00 C ATOM 121 CG LYS A 11 6.050 11.909 7.281 1.00 0.00 C ATOM 122 CD LYS A 11 7.434 12.062 7.887 1.00 0.00 C ATOM 123 CE LYS A 11 7.460 13.147 8.953 1.00 0.00 C ATOM 124 NZ LYS A 11 8.778 13.218 9.641 1.00 0.00 N ATOM 0 H LYS A 11 3.072 12.518 8.249 1.00 0.00 H new ATOM 0 HA LYS A 11 4.000 10.550 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.872 11.775 9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.639 10.271 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.125 11.387 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.632 12.894 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.748 11.114 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.151 12.304 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.237 14.111 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.677 12.954 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.754 13.969 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.980 12.307 10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.522 13.428 8.945 1.00 0.00 H new ATOM 138 N PRO A 12 4.023 8.276 7.726 1.00 0.00 N ATOM 139 CA PRO A 12 3.699 6.930 8.210 1.00 0.00 C ATOM 140 C PRO A 12 4.070 6.737 9.676 1.00 0.00 C ATOM 141 O PRO A 12 5.244 6.686 10.043 1.00 0.00 O ATOM 142 CB PRO A 12 4.548 6.020 7.319 1.00 0.00 C ATOM 143 CG PRO A 12 5.689 6.873 6.883 1.00 0.00 C ATOM 144 CD PRO A 12 5.142 8.269 6.769 1.00 0.00 C ATOM 0 HA PRO A 12 2.630 6.724 8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.896 5.143 7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.976 5.657 6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.505 6.831 7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.089 6.531 5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.893 9.017 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.805 8.487 5.756 1.00 0.00 H new ATOM 152 N PRO A 13 3.047 6.626 10.536 1.00 0.00 N ATOM 153 CA PRO A 13 3.241 6.436 11.977 1.00 0.00 C ATOM 154 C PRO A 13 3.798 5.056 12.309 1.00 0.00 C ATOM 155 O PRO A 13 3.796 4.157 11.469 1.00 0.00 O ATOM 156 CB PRO A 13 1.830 6.595 12.549 1.00 0.00 C ATOM 157 CG PRO A 13 0.922 6.234 11.424 1.00 0.00 C ATOM 158 CD PRO A 13 1.622 6.678 10.169 1.00 0.00 C ATOM 0 HA PRO A 13 3.964 7.141 12.388 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.675 5.942 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.653 7.616 12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.731 5.161 11.406 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.044 6.728 11.528 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.399 6.019 9.330 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.319 7.683 9.874 1.00 0.00 H new ATOM 166 N ASN A 14 4.275 4.895 13.540 1.00 0.00 N ATOM 167 CA ASN A 14 4.835 3.624 13.983 1.00 0.00 C ATOM 168 C ASN A 14 3.897 2.469 13.646 1.00 0.00 C ATOM 169 O ASN A 14 2.918 2.225 14.353 1.00 0.00 O ATOM 170 CB ASN A 14 5.102 3.657 15.489 1.00 0.00 C ATOM 171 CG ASN A 14 5.920 4.864 15.904 1.00 0.00 C ATOM 172 OD1 ASN A 14 5.527 6.007 15.666 1.00 0.00 O ATOM 173 ND2 ASN A 14 7.066 4.616 16.529 1.00 0.00 N ATOM 0 H ASN A 14 4.285 5.629 14.248 1.00 0.00 H new ATOM 0 HA ASN A 14 5.777 3.468 13.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.152 3.664 16.024 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.626 2.748 15.782 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.659 5.388 16.832 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.353 3.653 16.706 1.00 0.00 H new ATOM 180 N ARG A 15 4.203 1.761 12.564 1.00 0.00 N ATOM 181 CA ARG A 15 3.387 0.632 12.134 1.00 0.00 C ATOM 182 C ARG A 15 4.263 -0.517 11.644 1.00 0.00 C ATOM 183 O ARG A 15 4.828 -0.477 10.550 1.00 0.00 O ATOM 184 CB ARG A 15 2.426 1.064 11.024 1.00 0.00 C ATOM 185 CG ARG A 15 1.121 1.646 11.542 1.00 0.00 C ATOM 186 CD ARG A 15 -0.026 1.390 10.576 1.00 0.00 C ATOM 187 NE ARG A 15 -1.325 1.460 11.238 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.415 0.850 10.784 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.361 0.129 9.672 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.562 0.961 11.443 1.00 0.00 N ATOM 0 H ARG A 15 5.010 1.949 11.969 1.00 0.00 H new ATOM 0 HA ARG A 15 2.810 0.286 12.991 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.920 1.804 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.205 0.204 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.886 1.208 12.512 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.236 2.719 11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.009 2.122 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.096 0.407 10.121 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.400 2.007 12.096 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.481 0.042 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.199 -0.338 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.607 1.515 12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.398 0.493 11.094 1.00 0.00 H new ATOM 204 N PRO A 16 4.381 -1.566 12.471 1.00 0.00 N ATOM 205 CA PRO A 16 5.187 -2.746 12.143 1.00 0.00 C ATOM 206 C PRO A 16 4.572 -3.575 11.021 1.00 0.00 C ATOM 207 O PRO A 16 3.926 -4.592 11.270 1.00 0.00 O ATOM 208 CB PRO A 16 5.199 -3.541 13.451 1.00 0.00 C ATOM 209 CG PRO A 16 3.959 -3.121 14.162 1.00 0.00 C ATOM 210 CD PRO A 16 3.736 -1.682 13.790 1.00 0.00 C ATOM 0 HA PRO A 16 6.180 -2.475 11.784 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.202 -4.614 13.262 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.088 -3.319 14.041 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.111 -3.737 13.864 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.071 -3.232 15.241 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.674 -1.440 13.741 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.184 -1.005 14.517 1.00 0.00 H new ATOM 218 N GLY A 17 4.777 -3.133 9.784 1.00 0.00 N ATOM 219 CA GLY A 17 4.236 -3.847 8.642 1.00 0.00 C ATOM 220 C GLY A 17 4.070 -2.956 7.427 1.00 0.00 C ATOM 221 O GLY A 17 4.842 -3.047 6.472 1.00 0.00 O ATOM 0 H GLY A 17 5.308 -2.293 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.895 -4.678 8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.270 -4.275 8.909 1.00 0.00 H new ATOM 225 N ILE A 18 3.059 -2.094 7.461 1.00 0.00 N ATOM 226 CA ILE A 18 2.794 -1.184 6.353 1.00 0.00 C ATOM 227 C ILE A 18 3.768 -0.011 6.361 1.00 0.00 C ATOM 228 O ILE A 18 4.161 0.479 7.421 1.00 0.00 O ATOM 229 CB ILE A 18 1.354 -0.642 6.403 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.361 -1.788 6.605 1.00 0.00 C ATOM 231 CG2 ILE A 18 1.033 0.126 5.129 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.080 -1.332 6.682 1.00 0.00 C ATOM 0 H ILE A 18 2.410 -2.007 8.243 1.00 0.00 H new ATOM 0 HA ILE A 18 2.926 -1.756 5.435 1.00 0.00 H new ATOM 0 HB ILE A 18 1.268 0.041 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.466 -2.498 5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.615 -2.321 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.012 0.503 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.724 0.963 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.133 -0.537 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.728 -2.197 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.200 -0.645 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.351 -0.825 5.756 1.00 0.00 H new ATOM 244 N THR A 19 4.155 0.438 5.171 1.00 0.00 N ATOM 245 CA THR A 19 5.082 1.555 5.040 1.00 0.00 C ATOM 246 C THR A 19 4.756 2.399 3.813 1.00 0.00 C ATOM 247 O THR A 19 5.015 1.992 2.681 1.00 0.00 O ATOM 248 CB THR A 19 6.540 1.066 4.940 1.00 0.00 C ATOM 249 OG1 THR A 19 7.007 0.653 6.229 1.00 0.00 O ATOM 250 CG2 THR A 19 7.442 2.162 4.395 1.00 0.00 C ATOM 0 H THR A 19 3.841 0.045 4.284 1.00 0.00 H new ATOM 0 HA THR A 19 4.971 2.165 5.937 1.00 0.00 H new ATOM 0 HB THR A 19 6.570 0.219 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.262 0.664 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.466 1.793 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.101 2.453 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.407 3.026 5.059 1.00 0.00 H new ATOM 258 N PHE A 20 4.188 3.578 4.046 1.00 0.00 N ATOM 259 CA PHE A 20 3.827 4.480 2.959 1.00 0.00 C ATOM 260 C PHE A 20 5.073 5.031 2.272 1.00 0.00 C ATOM 261 O PHE A 20 5.739 5.922 2.796 1.00 0.00 O ATOM 262 CB PHE A 20 2.971 5.633 3.488 1.00 0.00 C ATOM 263 CG PHE A 20 1.910 5.196 4.457 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.129 4.082 4.194 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.694 5.899 5.631 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.151 3.679 5.084 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.718 5.500 6.525 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.054 4.387 6.252 1.00 0.00 C ATOM 0 H PHE A 20 3.968 3.931 4.978 1.00 0.00 H new ATOM 0 HA PHE A 20 3.251 3.914 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.619 6.362 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.497 6.139 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.286 3.522 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.295 6.769 5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.453 2.810 4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.559 6.058 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.815 4.072 6.950 1.00 0.00 H new ATOM 278 N GLU A 21 5.380 4.491 1.096 1.00 0.00 N ATOM 279 CA GLU A 21 6.547 4.928 0.338 1.00 0.00 C ATOM 280 C GLU A 21 6.289 4.831 -1.162 1.00 0.00 C ATOM 281 O GLU A 21 5.199 4.450 -1.592 1.00 0.00 O ATOM 282 CB GLU A 21 7.769 4.086 0.712 1.00 0.00 C ATOM 283 CG GLU A 21 7.755 2.691 0.110 1.00 0.00 C ATOM 284 CD GLU A 21 9.139 2.077 0.027 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.905 2.465 -0.880 1.00 0.00 O ATOM 286 OE2 GLU A 21 9.456 1.210 0.867 1.00 0.00 O ATOM 0 H GLU A 21 4.838 3.752 0.649 1.00 0.00 H new ATOM 0 HA GLU A 21 6.742 5.971 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.670 4.604 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.824 4.004 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.111 2.047 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.321 2.735 -0.889 1.00 0.00 H new ATOM 293 N ILE A 22 7.297 5.178 -1.954 1.00 0.00 N ATOM 294 CA ILE A 22 7.180 5.130 -3.406 1.00 0.00 C ATOM 295 C ILE A 22 7.488 3.734 -3.937 1.00 0.00 C ATOM 296 O ILE A 22 8.631 3.280 -3.891 1.00 0.00 O ATOM 297 CB ILE A 22 8.122 6.143 -4.082 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.691 7.573 -3.749 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.142 5.927 -5.587 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.220 7.832 -3.987 1.00 0.00 C ATOM 0 H ILE A 22 8.205 5.496 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 22 6.149 5.389 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 22 9.131 5.989 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.924 7.780 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.276 8.269 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.813 6.651 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.491 4.918 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.136 6.057 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.986 8.865 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.985 7.657 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.627 7.160 -3.366 1.00 0.00 H new ATOM 312 N GLY A 23 6.461 3.058 -4.443 1.00 0.00 N ATOM 313 CA GLY A 23 6.643 1.721 -4.976 1.00 0.00 C ATOM 314 C GLY A 23 6.394 0.644 -3.940 1.00 0.00 C ATOM 315 O GLY A 23 6.566 -0.543 -4.215 1.00 0.00 O ATOM 0 H GLY A 23 5.506 3.413 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.967 1.574 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.658 1.622 -5.361 1.00 0.00 H new ATOM 319 N ALA A 24 5.989 1.058 -2.744 1.00 0.00 N ATOM 320 CA ALA A 24 5.715 0.120 -1.663 1.00 0.00 C ATOM 321 C ALA A 24 4.627 -0.873 -2.059 1.00 0.00 C ATOM 322 O ALA A 24 3.612 -0.494 -2.644 1.00 0.00 O ATOM 323 CB ALA A 24 5.314 0.870 -0.401 1.00 0.00 C ATOM 0 H ALA A 24 5.843 2.037 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 24 6.628 -0.442 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.112 0.156 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.124 1.533 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.417 1.458 -0.597 1.00 0.00 H new ATOM 329 N ARG A 25 4.845 -2.143 -1.736 1.00 0.00 N ATOM 330 CA ARG A 25 3.884 -3.190 -2.061 1.00 0.00 C ATOM 331 C ARG A 25 3.004 -3.512 -0.857 1.00 0.00 C ATOM 332 O ARG A 25 3.488 -3.996 0.168 1.00 0.00 O ATOM 333 CB ARG A 25 4.610 -4.453 -2.528 1.00 0.00 C ATOM 334 CG ARG A 25 5.534 -4.221 -3.712 1.00 0.00 C ATOM 335 CD ARG A 25 6.904 -3.736 -3.264 1.00 0.00 C ATOM 336 NE ARG A 25 7.818 -3.563 -4.390 1.00 0.00 N ATOM 337 CZ ARG A 25 8.485 -4.562 -4.956 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.340 -5.800 -4.504 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.299 -4.324 -5.976 1.00 0.00 N ATOM 0 H ARG A 25 5.679 -2.472 -1.249 1.00 0.00 H new ATOM 0 HA ARG A 25 3.248 -2.826 -2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.191 -4.856 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.871 -5.208 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.642 -5.147 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.089 -3.487 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.798 -2.789 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.329 -4.450 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 25 7.951 -2.623 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.715 -5.987 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.853 -6.566 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.413 -3.373 -6.326 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.811 -5.092 -6.410 1.00 0.00 H new ATOM 353 N LEU A 26 1.710 -3.240 -0.986 1.00 0.00 N ATOM 354 CA LEU A 26 0.762 -3.501 0.091 1.00 0.00 C ATOM 355 C LEU A 26 -0.606 -3.881 -0.467 1.00 0.00 C ATOM 356 O LEU A 26 -0.799 -3.928 -1.681 1.00 0.00 O ATOM 357 CB LEU A 26 0.634 -2.271 0.993 1.00 0.00 C ATOM 358 CG LEU A 26 0.488 -0.927 0.278 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.768 -0.576 -0.464 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.694 -0.958 -0.679 1.00 0.00 C ATOM 0 H LEU A 26 1.293 -2.839 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 26 1.139 -4.338 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.230 -2.410 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.513 -2.224 1.637 1.00 0.00 H new ATOM 0 HG LEU A 26 0.303 -0.157 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.646 0.383 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.593 -0.512 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.984 -1.348 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.783 0.007 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.539 -1.739 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.608 -1.163 -0.122 1.00 0.00 H new ATOM 372 N GLU A 27 -1.551 -4.148 0.429 1.00 0.00 N ATOM 373 CA GLU A 27 -2.902 -4.523 0.024 1.00 0.00 C ATOM 374 C GLU A 27 -3.881 -3.379 0.274 1.00 0.00 C ATOM 375 O GLU A 27 -3.737 -2.623 1.234 1.00 0.00 O ATOM 376 CB GLU A 27 -3.356 -5.773 0.781 1.00 0.00 C ATOM 377 CG GLU A 27 -2.584 -7.026 0.405 1.00 0.00 C ATOM 378 CD GLU A 27 -2.947 -8.216 1.272 1.00 0.00 C ATOM 379 OE1 GLU A 27 -4.106 -8.674 1.197 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.070 -8.690 2.025 1.00 0.00 O ATOM 0 H GLU A 27 -1.407 -4.112 1.438 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.888 -4.739 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.249 -5.598 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.416 -5.938 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.779 -7.269 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.515 -6.830 0.492 1.00 0.00 H new ATOM 387 N ALA A 28 -4.877 -3.260 -0.598 1.00 0.00 N ATOM 388 CA ALA A 28 -5.881 -2.211 -0.472 1.00 0.00 C ATOM 389 C ALA A 28 -7.279 -2.803 -0.331 1.00 0.00 C ATOM 390 O ALA A 28 -7.582 -3.850 -0.905 1.00 0.00 O ATOM 391 CB ALA A 28 -5.820 -1.276 -1.671 1.00 0.00 C ATOM 0 H ALA A 28 -5.010 -3.877 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.664 -1.641 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.575 -0.497 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.832 -0.818 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.009 -1.842 -2.583 1.00 0.00 H new ATOM 397 N LEU A 29 -8.127 -2.128 0.437 1.00 0.00 N ATOM 398 CA LEU A 29 -9.495 -2.588 0.654 1.00 0.00 C ATOM 399 C LEU A 29 -10.447 -1.963 -0.360 1.00 0.00 C ATOM 400 O LEU A 29 -10.531 -0.740 -0.476 1.00 0.00 O ATOM 401 CB LEU A 29 -9.948 -2.248 2.075 1.00 0.00 C ATOM 402 CG LEU A 29 -11.228 -2.935 2.553 1.00 0.00 C ATOM 403 CD1 LEU A 29 -10.967 -4.402 2.854 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.786 -2.227 3.779 1.00 0.00 C ATOM 0 H LEU A 29 -7.892 -1.261 0.920 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.514 -3.670 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.143 -2.505 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.092 -1.170 2.141 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.969 -2.877 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.889 -4.874 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.614 -4.901 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.210 -4.484 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.697 -2.729 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.049 -2.254 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.013 -1.191 3.529 1.00 0.00 H new ATOM 416 N ASP A 30 -11.165 -2.809 -1.090 1.00 0.00 N ATOM 417 CA ASP A 30 -12.114 -2.340 -2.092 1.00 0.00 C ATOM 418 C ASP A 30 -13.446 -1.968 -1.447 1.00 0.00 C ATOM 419 O ASP A 30 -13.745 -2.391 -0.330 1.00 0.00 O ATOM 420 CB ASP A 30 -12.333 -3.412 -3.161 1.00 0.00 C ATOM 421 CG ASP A 30 -11.040 -3.838 -3.827 1.00 0.00 C ATOM 422 OD1 ASP A 30 -9.985 -3.792 -3.160 1.00 0.00 O ATOM 423 OD2 ASP A 30 -11.083 -4.218 -5.016 1.00 0.00 O ATOM 0 H ASP A 30 -11.108 -3.824 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.697 -1.450 -2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.808 -4.282 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.020 -3.032 -3.917 1.00 0.00 H new ATOM 428 N TYR A 31 -14.240 -1.174 -2.157 1.00 0.00 N ATOM 429 CA TYR A 31 -15.538 -0.742 -1.652 1.00 0.00 C ATOM 430 C TYR A 31 -16.353 -1.932 -1.156 1.00 0.00 C ATOM 431 O TYR A 31 -17.317 -1.771 -0.406 1.00 0.00 O ATOM 432 CB TYR A 31 -16.311 0.001 -2.742 1.00 0.00 C ATOM 433 CG TYR A 31 -16.866 -0.906 -3.816 1.00 0.00 C ATOM 434 CD1 TYR A 31 -16.021 -1.645 -4.635 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.237 -1.024 -4.013 1.00 0.00 C ATOM 436 CE1 TYR A 31 -16.524 -2.475 -5.618 1.00 0.00 C ATOM 437 CE2 TYR A 31 -18.748 -1.853 -4.993 1.00 0.00 C ATOM 438 CZ TYR A 31 -17.888 -2.576 -5.793 1.00 0.00 C ATOM 439 OH TYR A 31 -18.394 -3.402 -6.771 1.00 0.00 O ATOM 0 H TYR A 31 -14.008 -0.817 -3.084 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.367 -0.067 -0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.132 0.551 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.654 0.737 -3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -14.952 -1.569 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.914 -0.458 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -15.853 -3.042 -6.246 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.816 -1.935 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.373 -3.359 -6.761 1.00 0.00 H new ATOM 449 N LEU A 32 -15.959 -3.128 -1.579 1.00 0.00 N ATOM 450 CA LEU A 32 -16.652 -4.348 -1.179 1.00 0.00 C ATOM 451 C LEU A 32 -15.891 -5.067 -0.069 1.00 0.00 C ATOM 452 O LEU A 32 -16.008 -6.281 0.090 1.00 0.00 O ATOM 453 CB LEU A 32 -16.823 -5.279 -2.381 1.00 0.00 C ATOM 454 CG LEU A 32 -17.672 -4.739 -3.532 1.00 0.00 C ATOM 455 CD1 LEU A 32 -17.457 -5.568 -4.789 1.00 0.00 C ATOM 456 CD2 LEU A 32 -19.144 -4.723 -3.147 1.00 0.00 C ATOM 0 H LEU A 32 -15.163 -3.279 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.635 -4.070 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.834 -5.524 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.269 -6.211 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.360 -3.715 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.069 -5.169 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.406 -5.528 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.741 -6.602 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.733 -4.336 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.470 -5.736 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.285 -4.085 -2.274 1.00 0.00 H new ATOM 468 N GLN A 33 -15.114 -4.307 0.696 1.00 0.00 N ATOM 469 CA GLN A 33 -14.336 -4.872 1.793 1.00 0.00 C ATOM 470 C GLN A 33 -13.472 -6.031 1.306 1.00 0.00 C ATOM 471 O GLN A 33 -13.221 -6.985 2.044 1.00 0.00 O ATOM 472 CB GLN A 33 -15.263 -5.347 2.913 1.00 0.00 C ATOM 473 CG GLN A 33 -15.976 -4.214 3.634 1.00 0.00 C ATOM 474 CD GLN A 33 -16.353 -4.574 5.057 1.00 0.00 C ATOM 475 OE1 GLN A 33 -17.090 -5.532 5.293 1.00 0.00 O ATOM 476 NE2 GLN A 33 -15.850 -3.805 6.016 1.00 0.00 N ATOM 0 H GLN A 33 -15.006 -3.300 0.577 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.681 -4.091 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.007 -6.025 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.682 -5.918 3.637 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.333 -3.334 3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.876 -3.946 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.243 -3.021 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.070 -3.998 6.993 1.00 0.00 H new ATOM 485 N LYS A 34 -13.020 -5.944 0.060 1.00 0.00 N ATOM 486 CA LYS A 34 -12.184 -6.984 -0.526 1.00 0.00 C ATOM 487 C LYS A 34 -10.712 -6.583 -0.491 1.00 0.00 C ATOM 488 O LYS A 34 -10.361 -5.449 -0.816 1.00 0.00 O ATOM 489 CB LYS A 34 -12.614 -7.260 -1.969 1.00 0.00 C ATOM 490 CG LYS A 34 -14.102 -7.521 -2.121 1.00 0.00 C ATOM 491 CD LYS A 34 -14.490 -8.881 -1.566 1.00 0.00 C ATOM 492 CE LYS A 34 -15.781 -9.390 -2.189 1.00 0.00 C ATOM 493 NZ LYS A 34 -16.083 -10.788 -1.774 1.00 0.00 N ATOM 0 H LYS A 34 -13.219 -5.162 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.309 -7.892 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.338 -6.408 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.062 -8.122 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.663 -6.743 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.376 -7.465 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.688 -9.594 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.609 -8.813 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.606 -8.739 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.704 -9.342 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.970 -11.098 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.308 -11.414 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.182 -10.829 -0.740 1.00 0.00 H new ATOM 507 N TRP A 35 -9.858 -7.521 -0.097 1.00 0.00 N ATOM 508 CA TRP A 35 -8.424 -7.265 -0.021 1.00 0.00 C ATOM 509 C TRP A 35 -7.731 -7.661 -1.320 1.00 0.00 C ATOM 510 O TRP A 35 -8.004 -8.722 -1.881 1.00 0.00 O ATOM 511 CB TRP A 35 -7.810 -8.029 1.153 1.00 0.00 C ATOM 512 CG TRP A 35 -8.319 -7.576 2.488 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.050 -8.309 3.379 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.136 -6.286 3.082 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.333 -7.553 4.490 1.00 0.00 N ATOM 516 CE2 TRP A 35 -8.782 -6.308 4.333 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.488 -5.115 2.680 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -8.799 -5.205 5.182 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.505 -4.021 3.523 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.156 -4.072 4.763 1.00 0.00 C ATOM 0 H TRP A 35 -10.133 -8.465 0.175 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.279 -6.196 0.135 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.019 -9.092 1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.727 -7.912 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.360 -9.333 3.231 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -9.867 -7.867 5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.983 -5.066 1.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.302 -5.242 6.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.008 -3.111 3.221 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.150 -3.200 5.400 1.00 0.00 H new ATOM 531 N TYR A 36 -6.834 -6.803 -1.792 1.00 0.00 N ATOM 532 CA TYR A 36 -6.103 -7.064 -3.027 1.00 0.00 C ATOM 533 C TYR A 36 -4.744 -6.372 -3.012 1.00 0.00 C ATOM 534 O TYR A 36 -4.540 -5.361 -2.339 1.00 0.00 O ATOM 535 CB TYR A 36 -6.915 -6.591 -4.234 1.00 0.00 C ATOM 536 CG TYR A 36 -8.222 -7.330 -4.412 1.00 0.00 C ATOM 537 CD1 TYR A 36 -8.253 -8.717 -4.490 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.425 -6.642 -4.502 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.445 -9.396 -4.653 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.622 -7.313 -4.664 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.627 -8.690 -4.739 1.00 0.00 C ATOM 542 OH TYR A 36 -11.816 -9.363 -4.901 1.00 0.00 O ATOM 0 H TYR A 36 -6.595 -5.921 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.942 -8.139 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.121 -5.526 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.314 -6.711 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.330 -9.273 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.425 -5.564 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.451 -10.474 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.548 -6.762 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.553 -8.719 -4.942 1.00 0.00 H new ATOM 552 N PRO A 37 -3.789 -6.929 -3.772 1.00 0.00 N ATOM 553 CA PRO A 37 -2.432 -6.382 -3.865 1.00 0.00 C ATOM 554 C PRO A 37 -2.392 -5.055 -4.614 1.00 0.00 C ATOM 555 O PRO A 37 -3.140 -4.848 -5.569 1.00 0.00 O ATOM 556 CB PRO A 37 -1.669 -7.458 -4.641 1.00 0.00 C ATOM 557 CG PRO A 37 -2.713 -8.164 -5.436 1.00 0.00 C ATOM 558 CD PRO A 37 -3.961 -8.135 -4.599 1.00 0.00 C ATOM 0 HA PRO A 37 -2.011 -6.166 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.910 -7.017 -5.287 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.155 -8.143 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.874 -7.670 -6.394 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.412 -9.189 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.857 -8.075 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.055 -9.032 -3.987 1.00 0.00 H new ATOM 566 N SER A 38 -1.512 -4.160 -4.176 1.00 0.00 N ATOM 567 CA SER A 38 -1.377 -2.851 -4.804 1.00 0.00 C ATOM 568 C SER A 38 0.012 -2.269 -4.554 1.00 0.00 C ATOM 569 O SER A 38 0.810 -2.839 -3.811 1.00 0.00 O ATOM 570 CB SER A 38 -2.446 -1.893 -4.272 1.00 0.00 C ATOM 571 OG SER A 38 -3.734 -2.259 -4.736 1.00 0.00 O ATOM 0 H SER A 38 -0.882 -4.317 -3.389 1.00 0.00 H new ATOM 0 HA SER A 38 -1.513 -2.976 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.434 -1.898 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.217 -0.875 -4.589 1.00 0.00 H new ATOM 0 HG SER A 38 -3.692 -3.145 -5.152 1.00 0.00 H new ATOM 577 N ARG A 39 0.291 -1.132 -5.182 1.00 0.00 N ATOM 578 CA ARG A 39 1.583 -0.473 -5.030 1.00 0.00 C ATOM 579 C ARG A 39 1.418 1.043 -4.978 1.00 0.00 C ATOM 580 O ARG A 39 0.369 1.575 -5.341 1.00 0.00 O ATOM 581 CB ARG A 39 2.513 -0.856 -6.183 1.00 0.00 C ATOM 582 CG ARG A 39 3.381 -2.068 -5.888 1.00 0.00 C ATOM 583 CD ARG A 39 4.699 -2.007 -6.644 1.00 0.00 C ATOM 584 NE ARG A 39 4.560 -2.461 -8.025 1.00 0.00 N ATOM 585 CZ ARG A 39 4.611 -3.737 -8.388 1.00 0.00 C ATOM 586 NH1 ARG A 39 4.798 -4.682 -7.476 1.00 0.00 N ATOM 587 NH2 ARG A 39 4.475 -4.072 -9.665 1.00 0.00 N ATOM 0 H ARG A 39 -0.360 -0.648 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 39 2.024 -0.805 -4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.913 -1.056 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.156 -0.008 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.577 -2.125 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.845 -2.976 -6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.075 -0.984 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.439 -2.623 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 39 4.416 -1.759 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.903 -4.429 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.837 -5.662 -7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.331 -3.349 -10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.514 -5.053 -9.942 1.00 0.00 H new ATOM 601 N ILE A 40 2.459 1.731 -4.522 1.00 0.00 N ATOM 602 CA ILE A 40 2.429 3.185 -4.423 1.00 0.00 C ATOM 603 C ILE A 40 3.199 3.830 -5.570 1.00 0.00 C ATOM 604 O ILE A 40 4.305 3.406 -5.904 1.00 0.00 O ATOM 605 CB ILE A 40 3.020 3.670 -3.086 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.136 3.222 -1.920 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.171 5.184 -3.092 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.830 3.282 -0.578 1.00 0.00 C ATOM 0 H ILE A 40 3.334 1.305 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 40 1.382 3.484 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 40 4.008 3.226 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.245 3.850 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.800 2.201 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.590 5.512 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.837 5.480 -3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.195 5.646 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.144 2.951 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.705 2.632 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.142 4.307 -0.375 1.00 0.00 H new ATOM 620 N GLU A 41 2.606 4.859 -6.168 1.00 0.00 N ATOM 621 CA GLU A 41 3.237 5.564 -7.278 1.00 0.00 C ATOM 622 C GLU A 41 3.692 6.956 -6.850 1.00 0.00 C ATOM 623 O GLU A 41 4.777 7.408 -7.216 1.00 0.00 O ATOM 624 CB GLU A 41 2.271 5.671 -8.459 1.00 0.00 C ATOM 625 CG GLU A 41 2.221 4.420 -9.320 1.00 0.00 C ATOM 626 CD GLU A 41 3.217 4.459 -10.463 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.058 5.315 -11.359 1.00 0.00 O ATOM 628 OE2 GLU A 41 4.154 3.633 -10.463 1.00 0.00 O ATOM 0 H GLU A 41 1.691 5.223 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 41 4.113 4.993 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.271 5.882 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.562 6.518 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.421 3.547 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.215 4.301 -9.723 1.00 0.00 H new ATOM 635 N LYS A 42 2.853 7.633 -6.073 1.00 0.00 N ATOM 636 CA LYS A 42 3.166 8.974 -5.594 1.00 0.00 C ATOM 637 C LYS A 42 2.696 9.160 -4.154 1.00 0.00 C ATOM 638 O LYS A 42 1.943 8.341 -3.626 1.00 0.00 O ATOM 639 CB LYS A 42 2.513 10.025 -6.494 1.00 0.00 C ATOM 640 CG LYS A 42 3.397 10.474 -7.645 1.00 0.00 C ATOM 641 CD LYS A 42 2.762 11.612 -8.425 1.00 0.00 C ATOM 642 CE LYS A 42 3.020 12.956 -7.761 1.00 0.00 C ATOM 643 NZ LYS A 42 4.476 13.246 -7.643 1.00 0.00 N ATOM 0 H LYS A 42 1.950 7.274 -5.761 1.00 0.00 H new ATOM 0 HA LYS A 42 4.248 9.101 -5.625 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.584 9.620 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.247 10.893 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.365 10.792 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.582 9.633 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.159 11.625 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.688 11.445 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.538 13.745 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.567 12.964 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.624 14.275 -7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.846 12.818 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.977 12.848 -8.463 1.00 0.00 H new ATOM 657 N ILE A 43 3.145 10.242 -3.526 1.00 0.00 N ATOM 658 CA ILE A 43 2.768 10.536 -2.149 1.00 0.00 C ATOM 659 C ILE A 43 2.725 12.039 -1.900 1.00 0.00 C ATOM 660 O ILE A 43 3.764 12.690 -1.783 1.00 0.00 O ATOM 661 CB ILE A 43 3.744 9.889 -1.148 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.860 8.387 -1.413 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.286 10.147 0.280 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.958 7.716 -0.619 1.00 0.00 C ATOM 0 H ILE A 43 3.770 10.929 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 43 1.773 10.116 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 43 4.728 10.339 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.909 7.910 -1.177 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.042 8.227 -2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.986 9.684 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.251 11.221 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.293 9.721 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.982 6.653 -0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.918 8.166 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.767 7.845 0.446 1.00 0.00 H new ATOM 676 N ASP A 44 1.517 12.585 -1.819 1.00 0.00 N ATOM 677 CA ASP A 44 1.337 14.013 -1.580 1.00 0.00 C ATOM 678 C ASP A 44 1.291 14.313 -0.085 1.00 0.00 C ATOM 679 O ASP A 44 0.306 14.010 0.589 1.00 0.00 O ATOM 680 CB ASP A 44 0.054 14.506 -2.252 1.00 0.00 C ATOM 681 CG ASP A 44 0.291 14.986 -3.670 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.168 14.414 -4.352 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.402 15.932 -4.099 1.00 0.00 O ATOM 0 H ASP A 44 0.647 12.061 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 44 2.189 14.539 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.680 13.700 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.372 15.318 -1.663 1.00 0.00 H new ATOM 688 N TYR A 45 2.362 14.908 0.426 1.00 0.00 N ATOM 689 CA TYR A 45 2.446 15.246 1.842 1.00 0.00 C ATOM 690 C TYR A 45 1.738 16.566 2.130 1.00 0.00 C ATOM 691 O TYR A 45 1.291 16.812 3.250 1.00 0.00 O ATOM 692 CB TYR A 45 3.908 15.332 2.282 1.00 0.00 C ATOM 693 CG TYR A 45 4.624 14.000 2.268 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.057 13.434 1.075 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.869 13.309 3.448 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.711 12.218 1.058 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.523 12.092 3.441 1.00 0.00 C ATOM 698 CZ TYR A 45 5.942 11.550 2.243 1.00 0.00 C ATOM 699 OH TYR A 45 6.594 10.339 2.230 1.00 0.00 O ATOM 0 H TYR A 45 3.185 15.167 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 45 1.950 14.457 2.407 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.436 16.025 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.952 15.748 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.879 13.954 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.543 13.730 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.040 11.792 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.705 11.568 4.368 1.00 0.00 H new ATOM 0 HH TYR A 45 6.677 10.002 3.147 1.00 0.00 H new ATOM 709 N GLU A 46 1.639 17.412 1.110 1.00 0.00 N ATOM 710 CA GLU A 46 0.986 18.708 1.253 1.00 0.00 C ATOM 711 C GLU A 46 -0.523 18.542 1.409 1.00 0.00 C ATOM 712 O GLU A 46 -1.179 19.339 2.079 1.00 0.00 O ATOM 713 CB GLU A 46 1.290 19.594 0.043 1.00 0.00 C ATOM 714 CG GLU A 46 2.680 20.208 0.072 1.00 0.00 C ATOM 715 CD GLU A 46 2.787 21.362 1.050 1.00 0.00 C ATOM 716 OE1 GLU A 46 1.867 22.205 1.075 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.791 21.421 1.790 1.00 0.00 O ATOM 0 H GLU A 46 2.002 17.223 0.176 1.00 0.00 H new ATOM 0 HA GLU A 46 1.377 19.186 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.182 19.002 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.550 20.393 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.407 19.441 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.940 20.558 -0.927 1.00 0.00 H new ATOM 724 N GLU A 47 -1.066 17.502 0.785 1.00 0.00 N ATOM 725 CA GLU A 47 -2.497 17.232 0.853 1.00 0.00 C ATOM 726 C GLU A 47 -2.788 16.074 1.803 1.00 0.00 C ATOM 727 O GLU A 47 -3.768 16.098 2.547 1.00 0.00 O ATOM 728 CB GLU A 47 -3.046 16.914 -0.539 1.00 0.00 C ATOM 729 CG GLU A 47 -3.179 18.134 -1.435 1.00 0.00 C ATOM 730 CD GLU A 47 -3.819 19.312 -0.725 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.064 19.409 -0.742 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.075 20.136 -0.154 1.00 0.00 O ATOM 0 H GLU A 47 -0.537 16.832 0.227 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.991 18.126 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.391 16.189 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.023 16.441 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.192 18.424 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.775 17.874 -2.310 1.00 0.00 H new ATOM 739 N GLY A 48 -1.928 15.061 1.773 1.00 0.00 N ATOM 740 CA GLY A 48 -2.109 13.907 2.634 1.00 0.00 C ATOM 741 C GLY A 48 -2.705 12.723 1.900 1.00 0.00 C ATOM 742 O GLY A 48 -3.331 11.855 2.509 1.00 0.00 O ATOM 0 H GLY A 48 -1.108 15.019 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.147 13.620 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.757 14.178 3.467 1.00 0.00 H new ATOM 746 N LYS A 49 -2.512 12.686 0.586 1.00 0.00 N ATOM 747 CA LYS A 49 -3.034 11.599 -0.235 1.00 0.00 C ATOM 748 C LYS A 49 -1.927 10.969 -1.073 1.00 0.00 C ATOM 749 O LYS A 49 -1.029 11.661 -1.552 1.00 0.00 O ATOM 750 CB LYS A 49 -4.150 12.113 -1.148 1.00 0.00 C ATOM 751 CG LYS A 49 -3.727 13.276 -2.029 1.00 0.00 C ATOM 752 CD LYS A 49 -4.612 13.394 -3.259 1.00 0.00 C ATOM 753 CE LYS A 49 -4.073 14.428 -4.235 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.621 15.786 -3.963 1.00 0.00 N ATOM 0 H LYS A 49 -1.997 13.397 0.066 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.439 10.837 0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.496 11.296 -1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.997 12.422 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.772 14.203 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.690 13.142 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.680 12.425 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.622 13.669 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.985 14.456 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.325 14.132 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.053 16.497 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.607 15.835 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.586 15.976 -2.941 1.00 0.00 H new ATOM 768 N MET A 50 -1.998 9.654 -1.247 1.00 0.00 N ATOM 769 CA MET A 50 -1.003 8.931 -2.030 1.00 0.00 C ATOM 770 C MET A 50 -1.644 8.262 -3.242 1.00 0.00 C ATOM 771 O MET A 50 -2.804 7.850 -3.194 1.00 0.00 O ATOM 772 CB MET A 50 -0.304 7.882 -1.164 1.00 0.00 C ATOM 773 CG MET A 50 -1.214 7.250 -0.123 1.00 0.00 C ATOM 774 SD MET A 50 -0.463 5.820 0.680 1.00 0.00 S ATOM 775 CE MET A 50 -1.731 4.582 0.421 1.00 0.00 C ATOM 0 H MET A 50 -2.735 9.067 -0.856 1.00 0.00 H new ATOM 0 HA MET A 50 -0.264 9.650 -2.383 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.096 7.099 -1.808 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.544 8.345 -0.660 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.468 7.994 0.632 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.147 6.947 -0.598 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.339 3.599 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.594 4.808 1.047 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.033 4.584 -0.626 1.00 0.00 H new ATOM 785 N LEU A 51 -0.884 8.157 -4.326 1.00 0.00 N ATOM 786 CA LEU A 51 -1.379 7.538 -5.550 1.00 0.00 C ATOM 787 C LEU A 51 -1.102 6.038 -5.552 1.00 0.00 C ATOM 788 O LEU A 51 -0.002 5.600 -5.888 1.00 0.00 O ATOM 789 CB LEU A 51 -0.730 8.190 -6.773 1.00 0.00 C ATOM 790 CG LEU A 51 -1.525 8.111 -8.077 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.628 8.411 -9.268 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.170 6.741 -8.226 1.00 0.00 C ATOM 0 H LEU A 51 0.078 8.493 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.457 7.690 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.547 9.240 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.242 7.725 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.315 8.861 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.211 8.350 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.213 9.414 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.184 7.684 -9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.732 6.703 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.396 5.974 -8.237 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.845 6.564 -7.389 1.00 0.00 H new ATOM 804 N VAL A 52 -2.109 5.255 -5.177 1.00 0.00 N ATOM 805 CA VAL A 52 -1.975 3.804 -5.139 1.00 0.00 C ATOM 806 C VAL A 52 -2.633 3.159 -6.354 1.00 0.00 C ATOM 807 O VAL A 52 -3.752 3.512 -6.728 1.00 0.00 O ATOM 808 CB VAL A 52 -2.600 3.217 -3.859 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.082 3.551 -3.786 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.380 1.712 -3.802 1.00 0.00 C ATOM 0 H VAL A 52 -3.026 5.601 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.907 3.584 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.109 3.666 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.506 3.128 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.211 4.633 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.593 3.131 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.828 1.313 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.844 1.243 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.311 1.500 -3.803 1.00 0.00 H new ATOM 820 N HIS A 53 -1.930 2.212 -6.967 1.00 0.00 N ATOM 821 CA HIS A 53 -2.446 1.516 -8.141 1.00 0.00 C ATOM 822 C HIS A 53 -2.973 0.135 -7.765 1.00 0.00 C ATOM 823 O HIS A 53 -2.322 -0.611 -7.033 1.00 0.00 O ATOM 824 CB HIS A 53 -1.355 1.387 -9.204 1.00 0.00 C ATOM 825 CG HIS A 53 -1.504 0.176 -10.072 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.422 0.093 -11.098 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.845 -1.006 -10.063 1.00 0.00 C ATOM 828 CE1 HIS A 53 -2.322 -1.088 -11.681 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.372 -1.774 -11.072 1.00 0.00 N ATOM 0 H HIS A 53 -1.002 1.909 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.270 2.102 -8.547 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.365 2.278 -9.832 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.383 1.354 -8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.052 -1.292 -9.388 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.916 -1.434 -12.514 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.078 -2.721 -11.312 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.141 5.087 -8.524 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.103 5.888 -7.776 1.00 0.00 C ATOM 1007 C GLU A 63 -5.481 6.425 -6.490 1.00 0.00 C ATOM 1008 O GLU A 63 -4.731 5.723 -5.811 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.345 5.058 -7.447 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.304 5.749 -6.493 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.513 4.896 -6.161 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.353 3.664 -6.038 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.618 5.460 -6.024 1.00 0.00 O ATOM 0 HA GLU A 63 -6.395 6.734 -8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.872 4.825 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.032 4.109 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.777 6.000 -5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.637 6.688 -6.935 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.797 7.672 -6.163 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.269 8.304 -4.959 1.00 0.00 C ATOM 1022 C TRP A 64 -6.079 7.901 -3.733 1.00 0.00 C ATOM 1023 O TRP A 64 -7.292 8.108 -3.684 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.275 9.826 -5.112 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.269 10.327 -6.104 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.402 10.356 -7.463 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.976 10.870 -5.814 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.270 10.883 -8.035 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.380 11.208 -7.045 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.265 11.105 -4.634 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.108 11.766 -7.127 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -1.002 11.659 -4.717 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.434 11.986 -5.956 1.00 0.00 C ATOM 0 H TRP A 64 -6.416 8.266 -6.714 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.243 7.964 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.270 10.149 -5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.077 10.282 -4.142 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.270 10.015 -8.008 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.117 11.012 -9.035 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.695 10.858 -3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.668 12.017 -8.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.443 11.843 -3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.555 12.420 -5.987 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.403 7.325 -2.745 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.062 6.894 -1.518 1.00 0.00 C ATOM 1046 C ILE A 65 -5.365 7.468 -0.289 1.00 0.00 C ATOM 1047 O ILE A 65 -4.215 7.134 -0.002 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.094 5.358 -1.405 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.773 4.749 -2.634 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.812 4.936 -0.132 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.861 3.240 -2.589 1.00 0.00 C ATOM 0 H ILE A 65 -4.399 7.146 -2.770 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.085 7.268 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.069 4.990 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.778 5.161 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.224 5.047 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.827 3.848 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.290 5.345 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.835 5.312 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.353 2.877 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.858 2.819 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.436 2.935 -1.714 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.069 8.332 0.434 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.517 8.954 1.632 1.00 0.00 C ATOM 1065 C TYR A 66 -4.745 7.937 2.467 1.00 0.00 C ATOM 1066 O TYR A 66 -5.305 6.942 2.928 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.636 9.574 2.471 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.207 10.842 1.876 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.373 11.831 1.368 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.579 11.052 1.823 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.889 12.991 0.824 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.104 12.208 1.280 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.255 13.175 0.782 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.775 14.329 0.241 1.00 0.00 O ATOM 0 H TYR A 66 -7.023 8.618 0.212 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.828 9.739 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.437 8.845 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.254 9.791 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.303 11.690 1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.247 10.298 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.227 13.749 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.173 12.354 1.245 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.753 14.300 0.288 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.457 8.195 2.658 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.606 7.303 3.438 1.00 0.00 C ATOM 1086 C TRP A 67 -3.117 7.177 4.869 1.00 0.00 C ATOM 1087 O TRP A 67 -2.634 6.347 5.639 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.164 7.814 3.442 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.049 9.265 3.803 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.075 10.133 4.045 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.160 10.015 3.960 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.577 11.378 4.344 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.208 11.332 4.299 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.517 9.703 3.850 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.733 12.333 4.526 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.450 10.697 4.076 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.055 11.999 4.412 1.00 0.00 C ATOM 0 H TRP A 67 -2.978 9.014 2.284 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.634 6.317 2.974 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.579 7.224 4.147 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.727 7.657 2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.124 9.878 4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.135 12.203 4.564 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.832 8.702 3.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.430 13.337 4.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.502 10.467 3.992 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.809 12.753 4.584 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.097 8.003 5.218 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.675 7.982 6.556 1.00 0.00 C ATOM 1110 C ASP A 68 -6.075 7.378 6.534 1.00 0.00 C ATOM 1111 O ASP A 68 -6.884 7.627 7.428 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.725 9.397 7.136 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.538 10.346 6.277 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.045 10.742 5.201 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.668 10.692 6.682 1.00 0.00 O ATOM 0 H ASP A 68 -4.508 8.696 4.592 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.041 7.361 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.153 9.361 8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.710 9.781 7.237 1.00 0.00 H new ATOM 1120 N SER A 69 -6.356 6.584 5.506 1.00 0.00 N ATOM 1121 CA SER A 69 -7.660 5.948 5.365 1.00 0.00 C ATOM 1122 C SER A 69 -7.746 4.688 6.220 1.00 0.00 C ATOM 1123 O SER A 69 -8.827 4.289 6.651 1.00 0.00 O ATOM 1124 CB SER A 69 -7.926 5.603 3.898 1.00 0.00 C ATOM 1125 OG SER A 69 -9.315 5.610 3.616 1.00 0.00 O ATOM 0 H SER A 69 -5.698 6.366 4.758 1.00 0.00 H new ATOM 0 HA SER A 69 -8.419 6.651 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.417 6.321 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.511 4.621 3.671 1.00 0.00 H new ATOM 0 HG SER A 69 -9.452 5.708 2.651 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.597 4.065 6.460 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.541 2.849 7.264 1.00 0.00 C ATOM 1133 C ASN A 70 -7.265 1.702 6.565 1.00 0.00 C ATOM 1134 O ASN A 70 -7.856 0.840 7.216 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.158 3.093 8.642 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.585 4.321 9.322 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.211 5.381 9.345 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.389 4.183 9.882 1.00 0.00 N ATOM 0 H ASN A 70 -5.693 4.381 6.110 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.494 2.573 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.237 3.208 8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.990 2.220 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.953 4.974 10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.906 3.286 9.839 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.215 1.698 5.237 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.867 0.658 4.451 1.00 0.00 C ATOM 1147 C ARG A 71 -6.837 -0.186 3.705 1.00 0.00 C ATOM 1148 O ARG A 71 -7.160 -0.855 2.723 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.848 1.281 3.456 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.893 2.172 4.108 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.687 2.950 3.070 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.738 3.761 3.680 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.832 4.151 3.036 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -13.017 3.807 1.769 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.743 4.887 3.659 1.00 0.00 N ATOM 0 H ARG A 71 -6.730 2.404 4.683 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.415 0.010 5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.289 1.866 2.725 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.352 0.485 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.571 1.562 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.405 2.867 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.013 3.595 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.132 2.255 2.358 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.625 4.043 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.318 3.242 1.287 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.858 4.108 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.604 5.154 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.583 5.186 3.163 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.596 -0.148 4.178 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.517 -0.909 3.556 1.00 0.00 C ATOM 1171 C LEU A 72 -3.895 -1.883 4.551 1.00 0.00 C ATOM 1172 O LEU A 72 -3.957 -1.674 5.762 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.446 0.038 3.013 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.951 1.349 2.409 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.925 2.455 2.599 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.275 1.166 0.934 1.00 0.00 C ATOM 0 H LEU A 72 -5.312 0.401 4.989 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.938 -1.482 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.756 0.276 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.873 -0.492 2.252 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.865 1.638 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.302 3.380 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.743 2.604 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.993 2.175 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.633 2.109 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.377 0.853 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.047 0.405 0.823 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.292 -2.948 4.030 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.657 -3.954 4.873 1.00 0.00 C ATOM 1190 C ARG A 73 -1.236 -4.243 4.397 1.00 0.00 C ATOM 1191 O ARG A 73 -0.906 -4.090 3.221 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.479 -5.244 4.871 1.00 0.00 C ATOM 1193 CG ARG A 73 -4.979 -5.011 4.960 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.683 -6.172 5.644 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.800 -7.334 4.768 1.00 0.00 N ATOM 1196 CZ ARG A 73 -5.931 -8.579 5.212 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -5.963 -8.822 6.515 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.032 -9.585 4.351 1.00 0.00 N ATOM 0 H ARG A 73 -3.230 -3.136 3.029 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.609 -3.563 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.260 -5.803 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.166 -5.866 5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.173 -4.091 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.387 -4.875 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.133 -6.450 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.677 -5.857 5.962 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.780 -7.181 3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.887 -8.052 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.064 -9.779 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.009 -9.402 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.133 -10.541 4.693 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.375 -4.670 5.332 1.00 0.00 N ATOM 1213 CA PRO A 74 1.024 -4.989 5.032 1.00 0.00 C ATOM 1214 C PRO A 74 1.163 -6.252 4.188 1.00 0.00 C ATOM 1215 O PRO A 74 1.171 -7.365 4.714 1.00 0.00 O ATOM 1216 CB PRO A 74 1.644 -5.201 6.416 1.00 0.00 C ATOM 1217 CG PRO A 74 0.503 -5.605 7.284 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.700 -4.875 6.753 1.00 0.00 C ATOM 0 HA PRO A 74 1.505 -4.203 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.415 -5.972 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.117 -4.290 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.351 -6.684 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.692 -5.341 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.612 -5.460 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.856 -3.928 7.270 1.00 0.00 H new ATOM 1226 N LEU A 75 1.272 -6.071 2.876 1.00 0.00 N ATOM 1227 CA LEU A 75 1.411 -7.196 1.958 1.00 0.00 C ATOM 1228 C LEU A 75 2.631 -8.040 2.312 1.00 0.00 C ATOM 1229 O LEU A 75 3.724 -7.513 2.514 1.00 0.00 O ATOM 1230 CB LEU A 75 1.524 -6.694 0.518 1.00 0.00 C ATOM 1231 CG LEU A 75 1.838 -7.753 -0.540 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.628 -8.641 -0.782 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.287 -7.095 -1.836 1.00 0.00 C ATOM 0 H LEU A 75 1.267 -5.156 2.425 1.00 0.00 H new ATOM 0 HA LEU A 75 0.522 -7.820 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.586 -6.208 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.301 -5.930 0.481 1.00 0.00 H new ATOM 0 HG LEU A 75 2.652 -8.377 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.870 -9.388 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.352 -9.140 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.207 -8.032 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.506 -7.863 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.494 -6.447 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.183 -6.503 -1.652 1.00 0.00 H new