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+ -143:sc= 0 (180deg=-0.206) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 33 GLN : amide:sc=-0.00719 X(o=-0.0072,f=-0.34) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.0282 USER MOD Single : A 38 SER OG : rot 7:sc= 0.554 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0257) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.113 (180deg=0.0475) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.815 (180deg=-0.858) USER MOD Single : A 53 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.036) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -0.991 USER MOD Single : A 70 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.248 12.892 8.814 1.00 0.00 N ATOM 95 CA LYS A 10 0.822 12.816 7.476 1.00 0.00 C ATOM 96 C LYS A 10 1.786 11.640 7.363 1.00 0.00 C ATOM 97 O LYS A 10 1.471 10.622 6.746 1.00 0.00 O ATOM 98 CB LYS A 10 1.550 14.119 7.136 1.00 0.00 C ATOM 99 CG LYS A 10 0.665 15.351 7.227 1.00 0.00 C ATOM 100 CD LYS A 10 -0.401 15.353 6.145 1.00 0.00 C ATOM 101 CE LYS A 10 -1.581 16.233 6.527 1.00 0.00 C ATOM 102 NZ LYS A 10 -2.350 16.679 5.332 1.00 0.00 N ATOM 0 HA LYS A 10 0.008 12.665 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.397 14.239 7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.955 14.047 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.190 15.387 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.278 16.248 7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.030 15.707 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.747 14.334 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.241 15.684 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.222 17.105 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.679 17.655 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.739 16.639 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.170 16.054 5.194 1.00 0.00 H new ATOM 116 N LYS A 11 2.962 11.785 7.965 1.00 0.00 N ATOM 117 CA LYS A 11 3.972 10.733 7.936 1.00 0.00 C ATOM 118 C LYS A 11 3.419 9.431 8.507 1.00 0.00 C ATOM 119 O LYS A 11 2.489 9.425 9.313 1.00 0.00 O ATOM 120 CB LYS A 11 5.210 11.164 8.726 1.00 0.00 C ATOM 121 CG LYS A 11 5.136 10.824 10.205 1.00 0.00 C ATOM 122 CD LYS A 11 6.256 11.490 10.986 1.00 0.00 C ATOM 123 CE LYS A 11 6.223 11.093 12.454 1.00 0.00 C ATOM 124 NZ LYS A 11 7.539 11.313 13.117 1.00 0.00 N ATOM 0 H LYS A 11 3.239 12.621 8.479 1.00 0.00 H new ATOM 0 HA LYS A 11 4.253 10.563 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.090 10.686 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.345 12.240 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.173 11.142 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.194 9.743 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.217 11.212 10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.168 12.573 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.455 11.670 12.969 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.944 10.043 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.476 11.031 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.267 10.743 12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.794 12.320 13.057 1.00 0.00 H new ATOM 138 N PRO A 12 4.004 8.302 8.081 1.00 0.00 N ATOM 139 CA PRO A 12 3.587 6.973 8.540 1.00 0.00 C ATOM 140 C PRO A 12 3.946 6.725 10.001 1.00 0.00 C ATOM 141 O PRO A 12 5.115 6.716 10.385 1.00 0.00 O ATOM 142 CB PRO A 12 4.367 6.023 7.628 1.00 0.00 C ATOM 143 CG PRO A 12 5.564 6.801 7.205 1.00 0.00 C ATOM 144 CD PRO A 12 5.118 8.234 7.121 1.00 0.00 C ATOM 0 HA PRO A 12 2.506 6.844 8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.653 5.113 8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.769 5.719 6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.377 6.687 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.937 6.451 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.921 8.921 7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.796 8.496 6.113 1.00 0.00 H new ATOM 152 N PRO A 13 2.917 6.517 10.837 1.00 0.00 N ATOM 153 CA PRO A 13 3.100 6.264 12.269 1.00 0.00 C ATOM 154 C PRO A 13 3.724 4.899 12.541 1.00 0.00 C ATOM 155 O PRO A 13 3.992 4.133 11.616 1.00 0.00 O ATOM 156 CB PRO A 13 1.675 6.320 12.824 1.00 0.00 C ATOM 157 CG PRO A 13 0.804 5.971 11.667 1.00 0.00 C ATOM 158 CD PRO A 13 1.497 6.514 10.448 1.00 0.00 C ATOM 0 HA PRO A 13 3.779 6.984 12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.542 5.616 13.646 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.440 7.311 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.670 4.892 11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.188 6.409 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.321 5.888 9.573 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.146 7.516 10.199 1.00 0.00 H new ATOM 166 N ASN A 14 3.953 4.602 13.816 1.00 0.00 N ATOM 167 CA ASN A 14 4.546 3.329 14.209 1.00 0.00 C ATOM 168 C ASN A 14 3.628 2.166 13.845 1.00 0.00 C ATOM 169 O ASN A 14 2.664 1.877 14.554 1.00 0.00 O ATOM 170 CB ASN A 14 4.829 3.318 15.713 1.00 0.00 C ATOM 171 CG ASN A 14 5.900 4.317 16.107 1.00 0.00 C ATOM 172 OD1 ASN A 14 6.883 4.505 15.390 1.00 0.00 O ATOM 173 ND2 ASN A 14 5.713 4.963 17.252 1.00 0.00 N ATOM 0 H ASN A 14 3.737 5.225 14.594 1.00 0.00 H new ATOM 0 HA ASN A 14 5.485 3.211 13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.910 3.542 16.255 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.140 2.318 16.014 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.399 5.647 17.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.883 4.775 17.814 1.00 0.00 H new ATOM 180 N ARG A 15 3.935 1.502 12.735 1.00 0.00 N ATOM 181 CA ARG A 15 3.139 0.371 12.276 1.00 0.00 C ATOM 182 C ARG A 15 4.034 -0.747 11.750 1.00 0.00 C ATOM 183 O ARG A 15 4.594 -0.665 10.657 1.00 0.00 O ATOM 184 CB ARG A 15 2.165 0.815 11.183 1.00 0.00 C ATOM 185 CG ARG A 15 0.839 1.330 11.721 1.00 0.00 C ATOM 186 CD ARG A 15 -0.248 1.282 10.659 1.00 0.00 C ATOM 187 NE ARG A 15 -1.579 1.148 11.245 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.704 1.353 10.569 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.659 1.698 9.289 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.878 1.211 11.172 1.00 0.00 N ATOM 0 H ARG A 15 4.730 1.728 12.137 1.00 0.00 H new ATOM 0 HA ARG A 15 2.572 -0.010 13.126 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.634 1.597 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.975 -0.025 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.537 0.732 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.961 2.354 12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.207 2.189 10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.062 0.444 9.987 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.649 0.882 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.759 1.806 8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.524 1.855 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.917 0.944 12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.741 1.369 10.652 1.00 0.00 H new ATOM 204 N PRO A 16 4.174 -1.818 12.546 1.00 0.00 N ATOM 205 CA PRO A 16 5.000 -2.973 12.182 1.00 0.00 C ATOM 206 C PRO A 16 4.396 -3.780 11.038 1.00 0.00 C ATOM 207 O PRO A 16 3.758 -4.809 11.261 1.00 0.00 O ATOM 208 CB PRO A 16 5.031 -3.805 13.466 1.00 0.00 C ATOM 209 CG PRO A 16 3.786 -3.429 14.192 1.00 0.00 C ATOM 210 CD PRO A 16 3.536 -1.983 13.863 1.00 0.00 C ATOM 0 HA PRO A 16 5.987 -2.674 11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.054 -4.872 13.246 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.918 -3.583 14.060 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.948 -4.051 13.878 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.903 -3.570 15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.470 -1.758 13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.975 -1.320 14.608 1.00 0.00 H new ATOM 218 N GLY A 17 4.601 -3.307 9.813 1.00 0.00 N ATOM 219 CA GLY A 17 4.070 -3.998 8.652 1.00 0.00 C ATOM 220 C GLY A 17 3.921 -3.084 7.452 1.00 0.00 C ATOM 221 O GLY A 17 4.677 -3.189 6.486 1.00 0.00 O ATOM 0 H GLY A 17 5.125 -2.458 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.729 -4.827 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.099 -4.427 8.901 1.00 0.00 H new ATOM 225 N ILE A 18 2.942 -2.188 7.511 1.00 0.00 N ATOM 226 CA ILE A 18 2.696 -1.253 6.420 1.00 0.00 C ATOM 227 C ILE A 18 3.663 -0.075 6.477 1.00 0.00 C ATOM 228 O ILE A 18 4.007 0.409 7.555 1.00 0.00 O ATOM 229 CB ILE A 18 1.252 -0.719 6.451 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.271 -1.856 6.744 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.908 -0.044 5.131 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.166 -1.399 6.865 1.00 0.00 C ATOM 0 H ILE A 18 2.306 -2.090 8.303 1.00 0.00 H new ATOM 0 HA ILE A 18 2.851 -1.803 5.492 1.00 0.00 H new ATOM 0 HB ILE A 18 1.171 0.021 7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.342 -2.599 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.566 -2.350 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.116 0.328 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.591 0.788 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.003 -0.764 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.805 -2.258 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.251 -0.678 7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.479 -0.932 5.931 1.00 0.00 H new ATOM 244 N THR A 19 4.097 0.384 5.307 1.00 0.00 N ATOM 245 CA THR A 19 5.023 1.506 5.222 1.00 0.00 C ATOM 246 C THR A 19 4.732 2.369 4.000 1.00 0.00 C ATOM 247 O THR A 19 4.995 1.966 2.867 1.00 0.00 O ATOM 248 CB THR A 19 6.485 1.025 5.160 1.00 0.00 C ATOM 249 OG1 THR A 19 6.839 0.375 6.386 1.00 0.00 O ATOM 250 CG2 THR A 19 7.428 2.190 4.906 1.00 0.00 C ATOM 0 H THR A 19 3.822 -0.005 4.405 1.00 0.00 H new ATOM 0 HA THR A 19 4.882 2.100 6.125 1.00 0.00 H new ATOM 0 HB THR A 19 6.577 0.318 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.769 0.071 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.454 1.825 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.174 2.663 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.332 2.918 5.712 1.00 0.00 H new ATOM 258 N PHE A 20 4.188 3.558 4.237 1.00 0.00 N ATOM 259 CA PHE A 20 3.860 4.479 3.154 1.00 0.00 C ATOM 260 C PHE A 20 5.127 5.005 2.486 1.00 0.00 C ATOM 261 O PHE A 20 5.808 5.877 3.026 1.00 0.00 O ATOM 262 CB PHE A 20 3.026 5.646 3.684 1.00 0.00 C ATOM 263 CG PHE A 20 1.933 5.225 4.624 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.186 4.085 4.372 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.653 5.968 5.759 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.180 3.695 5.235 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.647 5.583 6.626 1.00 0.00 C ATOM 268 CZ PHE A 20 -0.089 4.444 6.364 1.00 0.00 C ATOM 0 H PHE A 20 3.965 3.907 5.169 1.00 0.00 H new ATOM 0 HA PHE A 20 3.278 3.935 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.683 6.349 4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.584 6.178 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.393 3.495 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.227 6.858 5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.396 2.805 5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.437 6.172 7.507 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.874 4.139 7.041 1.00 0.00 H new ATOM 278 N GLU A 21 5.436 4.469 1.310 1.00 0.00 N ATOM 279 CA GLU A 21 6.621 4.884 0.569 1.00 0.00 C ATOM 280 C GLU A 21 6.380 4.799 -0.935 1.00 0.00 C ATOM 281 O GLU A 21 5.339 4.316 -1.381 1.00 0.00 O ATOM 282 CB GLU A 21 7.821 4.016 0.954 1.00 0.00 C ATOM 283 CG GLU A 21 7.594 2.530 0.730 1.00 0.00 C ATOM 284 CD GLU A 21 8.763 1.685 1.194 1.00 0.00 C ATOM 285 OE1 GLU A 21 9.860 2.248 1.393 1.00 0.00 O ATOM 286 OE2 GLU A 21 8.583 0.460 1.359 1.00 0.00 O ATOM 0 H GLU A 21 4.882 3.746 0.850 1.00 0.00 H new ATOM 0 HA GLU A 21 6.834 5.921 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.689 4.334 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.059 4.184 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.693 2.220 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.418 2.349 -0.330 1.00 0.00 H new ATOM 293 N ILE A 22 7.349 5.273 -1.711 1.00 0.00 N ATOM 294 CA ILE A 22 7.243 5.250 -3.165 1.00 0.00 C ATOM 295 C ILE A 22 7.660 3.895 -3.726 1.00 0.00 C ATOM 296 O ILE A 22 8.833 3.527 -3.680 1.00 0.00 O ATOM 297 CB ILE A 22 8.109 6.349 -3.810 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.599 7.734 -3.407 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.113 6.200 -5.324 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.120 7.929 -3.658 1.00 0.00 C ATOM 0 H ILE A 22 8.216 5.677 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 22 6.196 5.434 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 22 9.133 6.241 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.804 7.894 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.156 8.492 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.729 6.984 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.519 5.225 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.094 6.285 -5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.828 8.933 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.911 7.801 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.554 7.194 -3.086 1.00 0.00 H new ATOM 312 N GLY A 23 6.691 3.156 -4.257 1.00 0.00 N ATOM 313 CA GLY A 23 6.977 1.850 -4.821 1.00 0.00 C ATOM 314 C GLY A 23 6.715 0.725 -3.840 1.00 0.00 C ATOM 315 O GLY A 23 6.997 -0.437 -4.128 1.00 0.00 O ATOM 0 H GLY A 23 5.712 3.439 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.367 1.701 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.019 1.815 -5.139 1.00 0.00 H new ATOM 319 N ALA A 24 6.174 1.071 -2.676 1.00 0.00 N ATOM 320 CA ALA A 24 5.874 0.081 -1.649 1.00 0.00 C ATOM 321 C ALA A 24 4.737 -0.836 -2.087 1.00 0.00 C ATOM 322 O ALA A 24 3.773 -0.391 -2.710 1.00 0.00 O ATOM 323 CB ALA A 24 5.524 0.769 -0.338 1.00 0.00 C ATOM 0 H ALA A 24 5.935 2.029 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 24 6.763 -0.531 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.302 0.017 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.367 1.377 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.652 1.406 -0.483 1.00 0.00 H new ATOM 329 N ARG A 25 4.856 -2.118 -1.758 1.00 0.00 N ATOM 330 CA ARG A 25 3.839 -3.098 -2.119 1.00 0.00 C ATOM 331 C ARG A 25 2.942 -3.416 -0.926 1.00 0.00 C ATOM 332 O ARG A 25 3.396 -3.971 0.075 1.00 0.00 O ATOM 333 CB ARG A 25 4.496 -4.380 -2.633 1.00 0.00 C ATOM 334 CG ARG A 25 5.611 -4.134 -3.635 1.00 0.00 C ATOM 335 CD ARG A 25 6.604 -5.286 -3.658 1.00 0.00 C ATOM 336 NE ARG A 25 7.226 -5.446 -4.970 1.00 0.00 N ATOM 337 CZ ARG A 25 6.659 -6.100 -5.977 1.00 0.00 C ATOM 338 NH1 ARG A 25 5.463 -6.651 -5.825 1.00 0.00 N ATOM 339 NH2 ARG A 25 7.288 -6.203 -7.141 1.00 0.00 N ATOM 0 H ARG A 25 5.647 -2.502 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 25 3.223 -2.671 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.897 -4.937 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.735 -5.008 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.185 -4.000 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.130 -3.209 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.377 -5.113 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.094 -6.210 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 25 8.146 -5.033 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.975 -6.573 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.030 -7.153 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.208 -5.780 -7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.852 -6.706 -7.914 1.00 0.00 H new ATOM 353 N LEU A 26 1.668 -3.060 -1.039 1.00 0.00 N ATOM 354 CA LEU A 26 0.706 -3.306 0.030 1.00 0.00 C ATOM 355 C LEU A 26 -0.669 -3.637 -0.540 1.00 0.00 C ATOM 356 O LEU A 26 -0.869 -3.619 -1.754 1.00 0.00 O ATOM 357 CB LEU A 26 0.611 -2.086 0.948 1.00 0.00 C ATOM 358 CG LEU A 26 0.389 -0.741 0.256 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.644 -0.310 -0.487 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.796 -0.820 -0.696 1.00 0.00 C ATOM 0 H LEU A 26 1.276 -2.600 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 26 1.054 -4.162 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.205 -2.249 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.529 -2.024 1.533 1.00 0.00 H new ATOM 0 HG LEU A 26 0.168 0.006 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.467 0.649 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.469 -0.213 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.896 -1.057 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.939 0.146 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.604 -1.580 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.694 -1.083 -0.138 1.00 0.00 H new ATOM 372 N GLU A 27 -1.615 -3.936 0.345 1.00 0.00 N ATOM 373 CA GLU A 27 -2.972 -4.269 -0.071 1.00 0.00 C ATOM 374 C GLU A 27 -3.939 -3.138 0.270 1.00 0.00 C ATOM 375 O GLU A 27 -3.770 -2.444 1.272 1.00 0.00 O ATOM 376 CB GLU A 27 -3.431 -5.566 0.599 1.00 0.00 C ATOM 377 CG GLU A 27 -2.609 -6.780 0.202 1.00 0.00 C ATOM 378 CD GLU A 27 -2.954 -8.011 1.017 1.00 0.00 C ATOM 379 OE1 GLU A 27 -3.908 -8.723 0.642 1.00 0.00 O ATOM 380 OE2 GLU A 27 -2.270 -8.261 2.032 1.00 0.00 O ATOM 0 H GLU A 27 -1.466 -3.954 1.354 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.969 -4.408 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.383 -5.443 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.476 -5.746 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.769 -6.992 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.550 -6.553 0.325 1.00 0.00 H new ATOM 387 N ALA A 28 -4.951 -2.958 -0.573 1.00 0.00 N ATOM 388 CA ALA A 28 -5.945 -1.914 -0.361 1.00 0.00 C ATOM 389 C ALA A 28 -7.345 -2.505 -0.237 1.00 0.00 C ATOM 390 O ALA A 28 -7.645 -3.545 -0.825 1.00 0.00 O ATOM 391 CB ALA A 28 -5.896 -0.901 -1.496 1.00 0.00 C ATOM 0 H ALA A 28 -5.103 -3.522 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.709 -1.407 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.644 -0.127 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.906 -0.447 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.103 -1.403 -2.441 1.00 0.00 H new ATOM 397 N LEU A 29 -8.198 -1.836 0.530 1.00 0.00 N ATOM 398 CA LEU A 29 -9.568 -2.296 0.732 1.00 0.00 C ATOM 399 C LEU A 29 -10.532 -1.559 -0.193 1.00 0.00 C ATOM 400 O LEU A 29 -10.766 -0.361 -0.034 1.00 0.00 O ATOM 401 CB LEU A 29 -9.986 -2.093 2.189 1.00 0.00 C ATOM 402 CG LEU A 29 -11.276 -2.792 2.621 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.023 -4.270 2.874 1.00 0.00 C ATOM 404 CD2 LEU A 29 -11.852 -2.128 3.863 1.00 0.00 C ATOM 0 H LEU A 29 -7.966 -0.973 1.022 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.607 -3.359 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.176 -2.440 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.098 -1.024 2.368 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.003 -2.702 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.952 -4.751 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.656 -4.738 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.279 -4.382 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.769 -2.638 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.128 -2.187 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.071 -1.082 3.648 1.00 0.00 H new ATOM 416 N ASP A 30 -11.088 -2.284 -1.158 1.00 0.00 N ATOM 417 CA ASP A 30 -12.029 -1.700 -2.106 1.00 0.00 C ATOM 418 C ASP A 30 -13.380 -1.444 -1.444 1.00 0.00 C ATOM 419 O ASP A 30 -13.679 -1.998 -0.386 1.00 0.00 O ATOM 420 CB ASP A 30 -12.206 -2.621 -3.315 1.00 0.00 C ATOM 421 CG ASP A 30 -11.052 -2.520 -4.293 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.574 -1.391 -4.532 1.00 0.00 O ATOM 423 OD2 ASP A 30 -10.627 -3.569 -4.820 1.00 0.00 O ATOM 0 H ASP A 30 -10.903 -3.276 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.623 -0.746 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.299 -3.652 -2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.135 -2.370 -3.827 1.00 0.00 H new ATOM 428 N TYR A 31 -14.191 -0.602 -2.074 1.00 0.00 N ATOM 429 CA TYR A 31 -15.508 -0.270 -1.544 1.00 0.00 C ATOM 430 C TYR A 31 -16.301 -1.533 -1.223 1.00 0.00 C ATOM 431 O TYR A 31 -17.287 -1.492 -0.486 1.00 0.00 O ATOM 432 CB TYR A 31 -16.282 0.590 -2.546 1.00 0.00 C ATOM 433 CG TYR A 31 -16.899 -0.203 -3.675 1.00 0.00 C ATOM 434 CD1 TYR A 31 -16.119 -0.679 -4.723 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.261 -0.476 -3.696 1.00 0.00 C ATOM 436 CE1 TYR A 31 -16.678 -1.403 -5.758 1.00 0.00 C ATOM 437 CE2 TYR A 31 -18.828 -1.201 -4.726 1.00 0.00 C ATOM 438 CZ TYR A 31 -18.033 -1.662 -5.754 1.00 0.00 C ATOM 439 OH TYR A 31 -18.595 -2.384 -6.783 1.00 0.00 O ATOM 0 H TYR A 31 -13.960 -0.137 -2.952 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.368 0.294 -0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -17.070 1.128 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.610 1.339 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -15.058 -0.479 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -18.887 -0.115 -2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -16.058 -1.764 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -19.888 -1.406 -4.726 1.00 0.00 H new ATOM 0 HH TYR A 31 -19.558 -2.479 -6.628 1.00 0.00 H new ATOM 449 N LEU A 32 -15.863 -2.656 -1.782 1.00 0.00 N ATOM 450 CA LEU A 32 -16.529 -3.934 -1.556 1.00 0.00 C ATOM 451 C LEU A 32 -15.831 -4.725 -0.455 1.00 0.00 C ATOM 452 O LEU A 32 -15.962 -5.946 -0.377 1.00 0.00 O ATOM 453 CB LEU A 32 -16.558 -4.752 -2.848 1.00 0.00 C ATOM 454 CG LEU A 32 -17.265 -4.102 -4.038 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.896 -4.814 -5.331 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.773 -4.112 -3.833 1.00 0.00 C ATOM 0 H LEU A 32 -15.049 -2.707 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.552 -3.731 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.531 -4.973 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.043 -5.706 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.935 -3.066 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.408 -4.338 -6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.818 -4.755 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.197 -5.860 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.260 -3.646 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -19.120 -5.141 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -19.021 -3.557 -2.928 1.00 0.00 H new ATOM 468 N GLN A 33 -15.091 -4.020 0.395 1.00 0.00 N ATOM 469 CA GLN A 33 -14.373 -4.657 1.493 1.00 0.00 C ATOM 470 C GLN A 33 -13.519 -5.815 0.986 1.00 0.00 C ATOM 471 O GLN A 33 -13.345 -6.820 1.674 1.00 0.00 O ATOM 472 CB GLN A 33 -15.358 -5.160 2.550 1.00 0.00 C ATOM 473 CG GLN A 33 -16.127 -4.046 3.244 1.00 0.00 C ATOM 474 CD GLN A 33 -16.506 -4.399 4.668 1.00 0.00 C ATOM 475 OE1 GLN A 33 -15.666 -4.829 5.459 1.00 0.00 O ATOM 476 NE2 GLN A 33 -17.778 -4.217 5.004 1.00 0.00 N ATOM 0 H GLN A 33 -14.973 -3.008 0.344 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.715 -3.914 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.067 -5.841 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -14.813 -5.735 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.522 -3.139 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.030 -3.825 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.441 -3.858 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.092 -4.436 5.949 1.00 0.00 H new ATOM 485 N LYS A 34 -12.988 -5.666 -0.223 1.00 0.00 N ATOM 486 CA LYS A 34 -12.151 -6.698 -0.824 1.00 0.00 C ATOM 487 C LYS A 34 -10.672 -6.362 -0.661 1.00 0.00 C ATOM 488 O LYS A 34 -10.277 -5.199 -0.751 1.00 0.00 O ATOM 489 CB LYS A 34 -12.488 -6.857 -2.308 1.00 0.00 C ATOM 490 CG LYS A 34 -13.961 -7.117 -2.573 1.00 0.00 C ATOM 491 CD LYS A 34 -14.392 -8.474 -2.043 1.00 0.00 C ATOM 492 CE LYS A 34 -14.093 -9.582 -3.041 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.160 -9.702 -4.074 1.00 0.00 N ATOM 0 H LYS A 34 -13.123 -4.840 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.351 -7.638 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.186 -5.955 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.903 -7.680 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.559 -6.336 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.153 -7.066 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.877 -8.680 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.460 -8.458 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.138 -9.385 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.992 -10.530 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.919 -10.468 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.067 -9.916 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.240 -8.806 -4.596 1.00 0.00 H new ATOM 507 N TRP A 35 -9.861 -7.386 -0.422 1.00 0.00 N ATOM 508 CA TRP A 35 -8.425 -7.198 -0.249 1.00 0.00 C ATOM 509 C TRP A 35 -7.667 -7.599 -1.509 1.00 0.00 C ATOM 510 O TRP A 35 -7.862 -8.692 -2.041 1.00 0.00 O ATOM 511 CB TRP A 35 -7.923 -8.014 0.944 1.00 0.00 C ATOM 512 CG TRP A 35 -8.505 -7.572 2.253 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.333 -8.291 3.066 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.303 -6.309 2.897 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.658 -7.552 4.178 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.038 -6.333 4.098 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.571 -5.163 2.578 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.062 -5.253 4.977 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.596 -4.092 3.451 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.337 -4.143 4.639 1.00 0.00 C ATOM 0 H TRP A 35 -10.173 -8.354 -0.344 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.243 -6.140 -0.060 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.164 -9.065 0.784 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.837 -7.940 0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.681 -9.293 2.865 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.263 -7.861 4.939 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.996 -5.115 1.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.633 -5.290 5.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.035 -3.200 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.336 -3.290 5.301 1.00 0.00 H new ATOM 531 N TYR A 36 -6.802 -6.708 -1.983 1.00 0.00 N ATOM 532 CA TYR A 36 -6.016 -6.970 -3.183 1.00 0.00 C ATOM 533 C TYR A 36 -4.674 -6.246 -3.124 1.00 0.00 C ATOM 534 O TYR A 36 -4.520 -5.224 -2.454 1.00 0.00 O ATOM 535 CB TYR A 36 -6.789 -6.534 -4.429 1.00 0.00 C ATOM 536 CG TYR A 36 -8.036 -7.350 -4.684 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.952 -8.665 -5.123 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.299 -6.805 -4.486 1.00 0.00 C ATOM 539 CE1 TYR A 36 -9.088 -9.414 -5.358 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.441 -7.547 -4.717 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.331 -8.851 -5.154 1.00 0.00 C ATOM 542 OH TYR A 36 -11.465 -9.594 -5.386 1.00 0.00 O ATOM 0 H TYR A 36 -6.628 -5.799 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.828 -8.042 -3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.066 -5.485 -4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.134 -6.607 -5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.981 -9.110 -5.283 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.389 -5.784 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.004 -10.435 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.415 -7.109 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.276 -10.541 -5.218 1.00 0.00 H new ATOM 552 N PRO A 37 -3.679 -6.787 -3.842 1.00 0.00 N ATOM 553 CA PRO A 37 -2.333 -6.209 -3.890 1.00 0.00 C ATOM 554 C PRO A 37 -2.295 -4.888 -4.651 1.00 0.00 C ATOM 555 O PRO A 37 -3.042 -4.691 -5.609 1.00 0.00 O ATOM 556 CB PRO A 37 -1.516 -7.274 -4.627 1.00 0.00 C ATOM 557 CG PRO A 37 -2.513 -8.011 -5.454 1.00 0.00 C ATOM 558 CD PRO A 37 -3.793 -8.003 -4.664 1.00 0.00 C ATOM 0 HA PRO A 37 -1.955 -5.974 -2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.744 -6.821 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.012 -7.941 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.649 -7.530 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.181 -9.031 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.667 -7.968 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.891 -8.897 -4.048 1.00 0.00 H new ATOM 566 N SER A 38 -1.421 -3.985 -4.217 1.00 0.00 N ATOM 567 CA SER A 38 -1.289 -2.681 -4.855 1.00 0.00 C ATOM 568 C SER A 38 0.076 -2.067 -4.560 1.00 0.00 C ATOM 569 O SER A 38 0.857 -2.611 -3.779 1.00 0.00 O ATOM 570 CB SER A 38 -2.398 -1.741 -4.378 1.00 0.00 C ATOM 571 OG SER A 38 -3.664 -2.164 -4.852 1.00 0.00 O ATOM 0 H SER A 38 -0.794 -4.133 -3.426 1.00 0.00 H new ATOM 0 HA SER A 38 -1.380 -2.821 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.407 -1.707 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.196 -0.728 -4.727 1.00 0.00 H new ATOM 0 HG SER A 38 -3.572 -3.030 -5.302 1.00 0.00 H new ATOM 577 N ARG A 39 0.356 -0.931 -5.189 1.00 0.00 N ATOM 578 CA ARG A 39 1.627 -0.243 -4.995 1.00 0.00 C ATOM 579 C ARG A 39 1.414 1.261 -4.852 1.00 0.00 C ATOM 580 O ARG A 39 0.350 1.782 -5.188 1.00 0.00 O ATOM 581 CB ARG A 39 2.568 -0.527 -6.167 1.00 0.00 C ATOM 582 CG ARG A 39 3.504 -1.700 -5.926 1.00 0.00 C ATOM 583 CD ARG A 39 4.826 -1.245 -5.327 1.00 0.00 C ATOM 584 NE ARG A 39 5.821 -0.952 -6.355 1.00 0.00 N ATOM 585 CZ ARG A 39 6.316 -1.868 -7.180 1.00 0.00 C ATOM 586 NH1 ARG A 39 5.910 -3.127 -7.098 1.00 0.00 N ATOM 587 NH2 ARG A 39 7.219 -1.524 -8.090 1.00 0.00 N ATOM 0 H ARG A 39 -0.280 -0.467 -5.838 1.00 0.00 H new ATOM 0 HA ARG A 39 2.079 -0.617 -4.076 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.974 -0.725 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.161 0.365 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.027 -2.416 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.689 -2.218 -6.867 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.661 -0.356 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.209 -2.020 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 39 6.154 0.008 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.216 -3.395 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.292 -3.828 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.533 -0.556 -8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.599 -2.228 -8.723 1.00 0.00 H new ATOM 601 N ILE A 40 2.433 1.953 -4.352 1.00 0.00 N ATOM 602 CA ILE A 40 2.357 3.396 -4.165 1.00 0.00 C ATOM 603 C ILE A 40 3.116 4.133 -5.264 1.00 0.00 C ATOM 604 O ILE A 40 4.343 4.217 -5.234 1.00 0.00 O ATOM 605 CB ILE A 40 2.922 3.817 -2.795 1.00 0.00 C ATOM 606 CG1 ILE A 40 1.951 3.431 -1.678 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.196 5.313 -2.773 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.565 3.489 -0.297 1.00 0.00 C ATOM 0 H ILE A 40 3.320 1.537 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 40 1.302 3.665 -4.212 1.00 0.00 H new ATOM 0 HB ILE A 40 3.863 3.292 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.088 4.096 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.582 2.422 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.595 5.596 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.921 5.562 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.269 5.855 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.819 3.203 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.410 2.803 -0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.908 4.503 -0.094 1.00 0.00 H new ATOM 620 N GLU A 41 2.376 4.667 -6.231 1.00 0.00 N ATOM 621 CA GLU A 41 2.980 5.398 -7.338 1.00 0.00 C ATOM 622 C GLU A 41 3.511 6.750 -6.872 1.00 0.00 C ATOM 623 O GLU A 41 4.636 7.133 -7.195 1.00 0.00 O ATOM 624 CB GLU A 41 1.961 5.598 -8.462 1.00 0.00 C ATOM 625 CG GLU A 41 1.744 4.359 -9.315 1.00 0.00 C ATOM 626 CD GLU A 41 1.353 4.693 -10.741 1.00 0.00 C ATOM 627 OE1 GLU A 41 2.036 5.534 -11.363 1.00 0.00 O ATOM 628 OE2 GLU A 41 0.364 4.113 -11.236 1.00 0.00 O ATOM 0 H GLU A 41 1.359 4.607 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 41 3.816 4.809 -7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.008 5.901 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.294 6.415 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.657 3.763 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.966 3.744 -8.864 1.00 0.00 H new ATOM 635 N LYS A 42 2.694 7.470 -6.112 1.00 0.00 N ATOM 636 CA LYS A 42 3.079 8.780 -5.599 1.00 0.00 C ATOM 637 C LYS A 42 2.519 9.002 -4.198 1.00 0.00 C ATOM 638 O LYS A 42 1.544 8.364 -3.801 1.00 0.00 O ATOM 639 CB LYS A 42 2.586 9.883 -6.539 1.00 0.00 C ATOM 640 CG LYS A 42 3.480 10.096 -7.748 1.00 0.00 C ATOM 641 CD LYS A 42 2.751 10.838 -8.856 1.00 0.00 C ATOM 642 CE LYS A 42 3.309 10.482 -10.226 1.00 0.00 C ATOM 643 NZ LYS A 42 4.745 10.855 -10.353 1.00 0.00 N ATOM 0 H LYS A 42 1.759 7.168 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 42 4.167 8.817 -5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.581 9.636 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.513 10.817 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.365 10.659 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.826 9.132 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.689 10.595 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.838 11.912 -8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.195 9.412 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.732 10.992 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.061 10.691 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.865 11.860 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.313 10.275 -9.703 1.00 0.00 H new ATOM 657 N ILE A 43 3.140 9.912 -3.455 1.00 0.00 N ATOM 658 CA ILE A 43 2.701 10.220 -2.100 1.00 0.00 C ATOM 659 C ILE A 43 2.700 11.725 -1.851 1.00 0.00 C ATOM 660 O ILE A 43 3.756 12.353 -1.779 1.00 0.00 O ATOM 661 CB ILE A 43 3.597 9.538 -1.049 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.583 8.021 -1.244 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.137 9.902 0.355 1.00 0.00 C ATOM 664 CD1 ILE A 43 4.637 7.298 -0.434 1.00 0.00 C ATOM 0 H ILE A 43 3.949 10.449 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 43 1.685 9.837 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 43 4.620 9.893 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.600 7.637 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.731 7.797 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.780 9.413 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.193 10.982 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.108 9.572 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.568 6.226 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.626 7.654 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.477 7.492 0.627 1.00 0.00 H new ATOM 676 N ASP A 44 1.508 12.296 -1.719 1.00 0.00 N ATOM 677 CA ASP A 44 1.368 13.727 -1.475 1.00 0.00 C ATOM 678 C ASP A 44 1.326 14.021 0.021 1.00 0.00 C ATOM 679 O ASP A 44 0.338 13.727 0.694 1.00 0.00 O ATOM 680 CB ASP A 44 0.103 14.260 -2.148 1.00 0.00 C ATOM 681 CG ASP A 44 0.357 14.737 -3.565 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.335 14.266 -4.183 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.422 15.580 -4.056 1.00 0.00 O ATOM 0 H ASP A 44 0.624 11.790 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 44 2.236 14.230 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.655 13.477 -2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.300 15.083 -1.558 1.00 0.00 H new ATOM 688 N TYR A 45 2.405 14.602 0.535 1.00 0.00 N ATOM 689 CA TYR A 45 2.492 14.933 1.952 1.00 0.00 C ATOM 690 C TYR A 45 1.795 16.258 2.246 1.00 0.00 C ATOM 691 O TYR A 45 1.266 16.463 3.338 1.00 0.00 O ATOM 692 CB TYR A 45 3.956 15.007 2.390 1.00 0.00 C ATOM 693 CG TYR A 45 4.705 13.704 2.221 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.048 13.236 0.959 1.00 0.00 C ATOM 695 CD2 TYR A 45 5.070 12.942 3.324 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.731 12.046 0.799 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.755 11.752 3.174 1.00 0.00 C ATOM 698 CZ TYR A 45 6.083 11.308 1.910 1.00 0.00 C ATOM 699 OH TYR A 45 6.765 10.122 1.756 1.00 0.00 O ATOM 0 H TYR A 45 3.231 14.853 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 45 1.990 14.146 2.515 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.460 15.783 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.999 15.308 3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.776 13.813 0.087 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.814 13.286 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.988 11.696 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.032 11.172 4.042 1.00 0.00 H new ATOM 0 HH TYR A 45 6.937 9.727 2.636 1.00 0.00 H new ATOM 709 N GLU A 46 1.798 17.152 1.263 1.00 0.00 N ATOM 710 CA GLU A 46 1.165 18.457 1.416 1.00 0.00 C ATOM 711 C GLU A 46 -0.350 18.318 1.527 1.00 0.00 C ATOM 712 O GLU A 46 -1.009 19.109 2.201 1.00 0.00 O ATOM 713 CB GLU A 46 1.520 19.363 0.235 1.00 0.00 C ATOM 714 CG GLU A 46 1.271 20.837 0.502 1.00 0.00 C ATOM 715 CD GLU A 46 2.203 21.405 1.555 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.426 21.176 1.452 1.00 0.00 O ATOM 717 OE2 GLU A 46 1.707 22.079 2.483 1.00 0.00 O ATOM 0 H GLU A 46 2.231 16.997 0.353 1.00 0.00 H new ATOM 0 HA GLU A 46 1.539 18.907 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.571 19.221 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.938 19.057 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.393 21.396 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.239 20.975 0.824 1.00 0.00 H new ATOM 724 N GLU A 47 -0.896 17.306 0.859 1.00 0.00 N ATOM 725 CA GLU A 47 -2.334 17.064 0.881 1.00 0.00 C ATOM 726 C GLU A 47 -2.688 15.981 1.896 1.00 0.00 C ATOM 727 O GLU A 47 -3.699 16.071 2.590 1.00 0.00 O ATOM 728 CB GLU A 47 -2.826 16.656 -0.509 1.00 0.00 C ATOM 729 CG GLU A 47 -3.067 17.833 -1.439 1.00 0.00 C ATOM 730 CD GLU A 47 -3.865 18.942 -0.782 1.00 0.00 C ATOM 731 OE1 GLU A 47 -5.067 18.729 -0.515 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.289 20.022 -0.534 1.00 0.00 O ATOM 0 H GLU A 47 -0.365 16.641 0.297 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.828 17.990 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.093 15.989 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.752 16.090 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.108 18.229 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.596 17.487 -2.327 1.00 0.00 H new ATOM 739 N GLY A 48 -1.845 14.955 1.976 1.00 0.00 N ATOM 740 CA GLY A 48 -2.086 13.868 2.907 1.00 0.00 C ATOM 741 C GLY A 48 -2.648 12.635 2.227 1.00 0.00 C ATOM 742 O GLY A 48 -3.396 11.869 2.834 1.00 0.00 O ATOM 0 H GLY A 48 -1.000 14.858 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.153 13.609 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.780 14.202 3.678 1.00 0.00 H new ATOM 746 N LYS A 49 -2.288 12.444 0.963 1.00 0.00 N ATOM 747 CA LYS A 49 -2.761 11.296 0.198 1.00 0.00 C ATOM 748 C LYS A 49 -1.617 10.651 -0.578 1.00 0.00 C ATOM 749 O LYS A 49 -0.468 11.081 -0.481 1.00 0.00 O ATOM 750 CB LYS A 49 -3.870 11.721 -0.766 1.00 0.00 C ATOM 751 CG LYS A 49 -3.492 12.900 -1.646 1.00 0.00 C ATOM 752 CD LYS A 49 -4.440 13.043 -2.825 1.00 0.00 C ATOM 753 CE LYS A 49 -3.810 13.845 -3.953 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.664 13.852 -5.173 1.00 0.00 N ATOM 0 H LYS A 49 -1.670 13.069 0.446 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.160 10.563 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.133 10.874 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.760 11.978 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.505 13.815 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.473 12.771 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.718 12.055 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.358 13.532 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.643 14.870 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.834 13.425 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.383 14.642 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.545 12.955 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.661 13.965 -4.898 1.00 0.00 H new ATOM 768 N MET A 50 -1.940 9.618 -1.350 1.00 0.00 N ATOM 769 CA MET A 50 -0.939 8.917 -2.146 1.00 0.00 C ATOM 770 C MET A 50 -1.589 8.190 -3.319 1.00 0.00 C ATOM 771 O MET A 50 -2.670 7.614 -3.184 1.00 0.00 O ATOM 772 CB MET A 50 -0.172 7.920 -1.275 1.00 0.00 C ATOM 773 CG MET A 50 -0.998 7.349 -0.133 1.00 0.00 C ATOM 774 SD MET A 50 -0.222 5.914 0.635 1.00 0.00 S ATOM 775 CE MET A 50 -1.522 4.694 0.464 1.00 0.00 C ATOM 0 H MET A 50 -2.886 9.248 -1.441 1.00 0.00 H new ATOM 0 HA MET A 50 -0.242 9.656 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.183 7.101 -1.901 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.710 8.412 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.151 8.121 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.983 7.068 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.145 3.716 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.364 4.968 1.100 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.850 4.655 -0.575 1.00 0.00 H new ATOM 785 N LEU A 51 -0.925 8.220 -4.469 1.00 0.00 N ATOM 786 CA LEU A 51 -1.438 7.564 -5.666 1.00 0.00 C ATOM 787 C LEU A 51 -1.121 6.072 -5.649 1.00 0.00 C ATOM 788 O LEU A 51 -0.003 5.661 -5.962 1.00 0.00 O ATOM 789 CB LEU A 51 -0.843 8.209 -6.920 1.00 0.00 C ATOM 790 CG LEU A 51 -1.704 8.143 -8.181 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.880 8.497 -9.409 1.00 0.00 C ATOM 792 CD2 LEU A 51 -2.324 6.762 -8.333 1.00 0.00 C ATOM 0 H LEU A 51 -0.030 8.692 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.521 7.686 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.634 9.256 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.113 7.730 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.509 8.872 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.510 8.445 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.485 9.507 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.054 7.793 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.933 6.734 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.534 6.014 -8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.949 6.547 -7.467 1.00 0.00 H new ATOM 804 N VAL A 52 -2.112 5.266 -5.282 1.00 0.00 N ATOM 805 CA VAL A 52 -1.940 3.819 -5.227 1.00 0.00 C ATOM 806 C VAL A 52 -2.464 3.155 -6.495 1.00 0.00 C ATOM 807 O VAL A 52 -3.514 3.530 -7.017 1.00 0.00 O ATOM 808 CB VAL A 52 -2.661 3.214 -4.008 1.00 0.00 C ATOM 809 CG1 VAL A 52 -4.145 3.548 -4.045 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.445 1.709 -3.955 1.00 0.00 C ATOM 0 H VAL A 52 -3.042 5.590 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.870 3.631 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.238 3.651 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.638 3.112 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.275 4.630 -4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.587 3.141 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.961 1.298 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.840 1.253 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.379 1.497 -3.877 1.00 0.00 H new ATOM 820 N HIS A 53 -1.726 2.164 -6.986 1.00 0.00 N ATOM 821 CA HIS A 53 -2.116 1.445 -8.194 1.00 0.00 C ATOM 822 C HIS A 53 -2.661 0.063 -7.850 1.00 0.00 C ATOM 823 O HIS A 53 -2.076 -0.665 -7.048 1.00 0.00 O ATOM 824 CB HIS A 53 -0.925 1.315 -9.143 1.00 0.00 C ATOM 825 CG HIS A 53 -0.980 0.095 -10.009 1.00 0.00 C ATOM 826 ND1 HIS A 53 -1.509 0.098 -11.283 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.566 -1.174 -9.779 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.420 -1.115 -11.797 1.00 0.00 C ATOM 829 NE2 HIS A 53 -0.851 -1.906 -10.905 1.00 0.00 N ATOM 0 H HIS A 53 -0.855 1.841 -6.566 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.903 2.014 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.879 2.200 -9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.005 1.294 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.099 -1.542 -8.877 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.756 -1.410 -12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.655 -2.899 -11.032 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.484 5.073 -8.488 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.280 6.075 -7.789 1.00 0.00 C ATOM 1007 C GLU A 63 -5.579 6.535 -6.514 1.00 0.00 C ATOM 1008 O GLU A 63 -4.773 5.804 -5.938 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.662 5.514 -7.450 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.417 6.338 -6.420 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.693 5.663 -5.955 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.600 4.713 -5.149 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.783 6.084 -6.395 1.00 0.00 O ATOM 0 HA GLU A 63 -6.396 6.935 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.255 5.456 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.550 4.496 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.772 6.518 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.660 7.312 -6.846 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.891 7.751 -6.081 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.290 8.309 -4.874 1.00 0.00 C ATOM 1022 C TRP A 64 -6.068 7.886 -3.633 1.00 0.00 C ATOM 1023 O TRP A 64 -7.292 8.007 -3.586 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.241 9.836 -4.964 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.306 10.338 -6.023 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.537 10.379 -7.368 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.992 10.870 -5.823 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.446 10.903 -8.017 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.485 11.213 -7.092 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.195 11.091 -4.697 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.217 11.764 -7.262 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.937 11.637 -4.868 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.458 11.969 -6.142 1.00 0.00 C ATOM 0 H TRP A 64 -6.556 8.369 -6.546 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.274 7.923 -4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.243 10.213 -5.166 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.936 10.240 -3.999 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.445 10.048 -7.851 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.365 11.039 -9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.556 10.840 -3.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.846 12.020 -8.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.312 11.811 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.529 12.395 -6.242 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.350 7.390 -2.631 1.00 0.00 N ATOM 1045 CA ILE A 65 -5.974 6.951 -1.389 1.00 0.00 C ATOM 1046 C ILE A 65 -5.281 7.565 -0.178 1.00 0.00 C ATOM 1047 O ILE A 65 -4.069 7.431 -0.009 1.00 0.00 O ATOM 1048 CB ILE A 65 -5.947 5.416 -1.258 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.697 4.770 -2.424 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.552 4.988 0.071 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.653 3.258 -2.407 1.00 0.00 C ATOM 0 H ILE A 65 -4.336 7.282 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.010 7.287 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.910 5.081 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.737 5.095 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.271 5.127 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.526 3.901 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.979 5.425 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.585 5.331 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.205 2.868 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.617 2.924 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.105 2.891 -1.486 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.059 8.239 0.663 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.520 8.875 1.859 1.00 0.00 C ATOM 1065 C TYR A 66 -4.710 7.882 2.686 1.00 0.00 C ATOM 1066 O TYR A 66 -5.245 6.895 3.191 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.652 9.458 2.706 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.224 10.742 2.151 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.391 11.757 1.696 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.598 10.943 2.083 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.909 12.933 1.189 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.124 12.115 1.576 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.276 13.107 1.131 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.797 14.276 0.626 1.00 0.00 O ATOM 0 H TYR A 66 -7.064 8.359 0.538 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.858 9.682 1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.450 8.720 2.788 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.282 9.641 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.320 11.624 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.265 10.169 2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.247 13.712 0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.194 12.254 1.528 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.776 14.237 0.655 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.416 8.151 2.821 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.531 7.282 3.588 1.00 0.00 C ATOM 1086 C TRP A 67 -2.985 7.187 5.040 1.00 0.00 C ATOM 1087 O TRP A 67 -2.467 6.378 5.810 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.093 7.800 3.523 1.00 0.00 C ATOM 1089 CG TRP A 67 -0.965 9.246 3.894 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -1.983 10.118 4.159 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.250 9.990 4.038 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.474 11.358 4.460 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.107 11.306 4.393 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.604 9.672 3.905 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.843 12.300 4.614 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.545 10.660 4.124 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.161 11.961 4.476 1.00 0.00 C ATOM 0 H TRP A 67 -2.957 8.964 2.409 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.571 6.285 3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.470 7.205 4.190 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.708 7.656 2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.034 9.869 4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.025 12.184 4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.910 8.672 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.549 13.303 4.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.594 10.426 4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.921 12.711 4.642 1.00 0.00 H new ATOM 1108 N ASP A 68 -3.954 8.017 5.408 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.479 8.026 6.768 1.00 0.00 C ATOM 1110 C ASP A 68 -5.881 7.427 6.814 1.00 0.00 C ATOM 1111 O ASP A 68 -6.649 7.689 7.739 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.502 9.452 7.320 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.733 10.222 6.883 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -5.843 10.527 5.677 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.584 10.520 7.746 1.00 0.00 O ATOM 0 H ASP A 68 -4.392 8.693 4.783 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.822 7.416 7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.466 9.418 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.609 9.981 6.988 1.00 0.00 H new ATOM 1120 N SER A 69 -6.208 6.622 5.807 1.00 0.00 N ATOM 1121 CA SER A 69 -7.520 5.990 5.730 1.00 0.00 C ATOM 1122 C SER A 69 -7.553 4.704 6.550 1.00 0.00 C ATOM 1123 O SER A 69 -8.605 4.293 7.038 1.00 0.00 O ATOM 1124 CB SER A 69 -7.879 5.688 4.273 1.00 0.00 C ATOM 1125 OG SER A 69 -9.283 5.696 4.082 1.00 0.00 O ATOM 0 H SER A 69 -5.583 6.393 5.034 1.00 0.00 H new ATOM 0 HA SER A 69 -8.254 6.682 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.416 6.428 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.476 4.716 3.990 1.00 0.00 H new ATOM 0 HG SER A 69 -9.483 5.839 3.133 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.392 4.074 6.698 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.286 2.835 7.459 1.00 0.00 C ATOM 1133 C ASN A 70 -7.021 1.699 6.753 1.00 0.00 C ATOM 1134 O ASN A 70 -7.495 0.760 7.393 1.00 0.00 O ATOM 1135 CB ASN A 70 -6.853 3.026 8.867 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.400 4.327 9.501 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -7.053 5.361 9.357 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -5.276 4.282 10.206 1.00 0.00 N ATOM 0 H ASN A 70 -5.511 4.401 6.301 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.231 2.572 7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.942 3.006 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.544 2.191 9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.921 5.127 10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.767 3.403 10.299 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.110 1.791 5.430 1.00 0.00 N ATOM 1146 CA ARG A 71 -7.786 0.772 4.637 1.00 0.00 C ATOM 1147 C ARG A 71 -6.779 -0.066 3.855 1.00 0.00 C ATOM 1148 O ARG A 71 -7.132 -0.727 2.877 1.00 0.00 O ATOM 1149 CB ARG A 71 -8.782 1.422 3.675 1.00 0.00 C ATOM 1150 CG ARG A 71 -9.811 2.302 4.366 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.557 3.174 3.369 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.614 3.954 4.007 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.653 4.459 3.352 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.775 4.265 2.046 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.574 5.158 4.003 1.00 0.00 N ATOM 0 H ARG A 71 -6.722 2.561 4.885 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.326 0.115 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.234 2.021 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.300 0.641 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.521 1.677 4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.315 2.933 5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.854 3.848 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.990 2.546 2.591 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.551 4.120 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.070 3.727 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.574 4.654 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.485 5.308 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.371 5.545 3.498 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.525 -0.034 4.291 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.466 -0.789 3.632 1.00 0.00 C ATOM 1171 C LEU A 72 -3.833 -1.791 4.593 1.00 0.00 C ATOM 1172 O LEU A 72 -3.808 -1.574 5.804 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.396 0.160 3.090 1.00 0.00 C ATOM 1174 CG LEU A 72 -3.901 1.490 2.530 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -2.858 2.581 2.722 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.260 1.347 1.058 1.00 0.00 C ATOM 0 H LEU A 72 -5.217 0.507 5.099 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.909 -1.339 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.687 0.371 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.845 -0.357 2.304 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.800 1.774 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.235 3.520 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.649 2.702 3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.941 2.304 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.618 2.303 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.378 1.039 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.042 0.596 0.946 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.321 -2.888 4.043 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.687 -3.923 4.851 1.00 0.00 C ATOM 1190 C ARG A 73 -1.268 -4.200 4.363 1.00 0.00 C ATOM 1191 O ARG A 73 -0.938 -4.005 3.193 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.513 -5.210 4.809 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.014 -4.972 4.850 1.00 0.00 C ATOM 1194 CD ARG A 73 -5.750 -6.160 5.450 1.00 0.00 C ATOM 1195 NE ARG A 73 -5.613 -7.360 4.628 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.066 -8.555 4.991 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.682 -8.708 6.155 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -5.904 -9.599 4.188 1.00 0.00 N ATOM 0 H ARG A 73 -3.333 -3.083 3.042 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.636 -3.566 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.266 -5.761 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.230 -5.841 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.226 -4.078 5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.382 -4.787 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.363 -6.359 6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.806 -5.914 5.560 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.144 -7.276 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.809 -7.907 6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.029 -9.626 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.431 -9.484 3.291 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.252 -10.516 4.467 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.408 -4.666 5.280 1.00 0.00 N ATOM 1213 CA PRO A 74 0.989 -4.981 4.967 1.00 0.00 C ATOM 1214 C PRO A 74 1.121 -6.211 4.075 1.00 0.00 C ATOM 1215 O PRO A 74 1.178 -7.340 4.563 1.00 0.00 O ATOM 1216 CB PRO A 74 1.610 -5.247 6.341 1.00 0.00 C ATOM 1217 CG PRO A 74 0.468 -5.678 7.195 1.00 0.00 C ATOM 1218 CD PRO A 74 -0.732 -4.923 6.693 1.00 0.00 C ATOM 0 HA PRO A 74 1.474 -4.176 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.377 -6.019 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.087 -4.352 6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.311 -6.754 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.659 -5.454 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.646 -5.508 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.883 -3.996 7.246 1.00 0.00 H new ATOM 1226 N LEU A 75 1.170 -5.985 2.767 1.00 0.00 N ATOM 1227 CA LEU A 75 1.296 -7.076 1.807 1.00 0.00 C ATOM 1228 C LEU A 75 2.548 -7.902 2.082 1.00 0.00 C ATOM 1229 O LEU A 75 3.643 -7.359 2.223 1.00 0.00 O ATOM 1230 CB LEU A 75 1.339 -6.524 0.381 1.00 0.00 C ATOM 1231 CG LEU A 75 1.553 -7.551 -0.731 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.299 -8.387 -0.935 1.00 0.00 C ATOM 1233 CD2 LEU A 75 1.953 -6.860 -2.026 1.00 0.00 C ATOM 0 H LEU A 75 1.124 -5.057 2.347 1.00 0.00 H new ATOM 0 HA LEU A 75 0.426 -7.723 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.403 -5.999 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.137 -5.784 0.323 1.00 0.00 H new ATOM 0 HG LEU A 75 2.363 -8.217 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.471 -9.112 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.058 -8.912 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.531 -7.736 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.101 -7.607 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.165 -6.170 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.880 -6.307 -1.872 1.00 0.00 H new