USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.077 K(o=-0.077,f=0.48) USER MOD Single : A 24 THR OG1 : rot -91:sc= 1.32 USER MOD Single : A 25 SER OG : rot -7:sc= 0.985 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -3.38! K(o=-3.4!,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00705 USER MOD Single : A 40 TYR OH : rot 24:sc= -4.1! USER MOD Single : A 44 TYR OH : rot 180:sc= -3.17! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -18:sc= 0.296 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 56 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 60 THR OG1 : rot -35:sc= 1.11 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 63 SER OG : rot 35:sc= 0.0165 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0723 USER MOD Single : A 70 GLN : amide:sc=-0.00353 K(o=-0.0035,f=-2!) USER MOD Single : A 74 GLN : amide:sc= -0.839 K(o=-0.84,f=-0.061) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.679 USER MOD Single : A 76 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.42) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.818 K(o=-0.82,f=-9.9!) USER MOD Single : A 88 SER OG : rot 111:sc= 1.23 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 94 GLN : amide:sc= -3.57! C(o=-3.6!,f=-0.29!) USER MOD Single : A 95 GLN : amide:sc= -0.912 K(o=-0.91,f=-0.058) USER MOD Single : A 97 THR OG1 : rot -156:sc= 1.67 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00275 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 2.396 -12.098 4.169 1.00 0.00 N ATOM 142 CA ALA A 12 2.431 -10.718 3.700 1.00 0.00 C ATOM 143 C ALA A 12 3.806 -10.106 3.943 1.00 0.00 C ATOM 144 O ALA A 12 4.577 -10.613 4.763 1.00 0.00 O ATOM 145 CB ALA A 12 1.374 -9.904 4.423 1.00 0.00 C ATOM 0 HA ALA A 12 2.228 -10.708 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.404 -8.873 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.390 -10.328 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.569 -9.926 5.495 1.00 0.00 H new ATOM 151 N PRO A 13 4.141 -9.011 3.239 1.00 0.00 N ATOM 152 CA PRO A 13 5.384 -8.279 3.471 1.00 0.00 C ATOM 153 C PRO A 13 5.353 -7.535 4.802 1.00 0.00 C ATOM 154 O PRO A 13 4.359 -6.886 5.133 1.00 0.00 O ATOM 155 CB PRO A 13 5.439 -7.273 2.310 1.00 0.00 C ATOM 156 CG PRO A 13 4.416 -7.739 1.333 1.00 0.00 C ATOM 157 CD PRO A 13 3.357 -8.395 2.157 1.00 0.00 C ATOM 0 HA PRO A 13 6.248 -8.942 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.221 -6.262 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.431 -7.248 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.009 -6.905 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.846 -8.438 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.633 -7.675 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.798 -9.137 1.586 1.00 0.00 H new ATOM 165 N PRO A 14 6.425 -7.658 5.599 1.00 0.00 N ATOM 166 CA PRO A 14 6.594 -6.873 6.825 1.00 0.00 C ATOM 167 C PRO A 14 6.462 -5.383 6.550 1.00 0.00 C ATOM 168 O PRO A 14 6.633 -4.955 5.407 1.00 0.00 O ATOM 169 CB PRO A 14 8.017 -7.207 7.275 1.00 0.00 C ATOM 170 CG PRO A 14 8.318 -8.529 6.661 1.00 0.00 C ATOM 171 CD PRO A 14 7.540 -8.588 5.376 1.00 0.00 C ATOM 0 HA PRO A 14 5.839 -7.107 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.724 -6.447 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.086 -7.252 8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.386 -8.636 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.029 -9.342 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.150 -8.285 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.184 -9.597 5.170 1.00 0.00 H new ATOM 179 N ASP A 15 6.175 -4.616 7.607 1.00 0.00 N ATOM 180 CA ASP A 15 5.885 -3.180 7.501 1.00 0.00 C ATOM 181 C ASP A 15 6.780 -2.494 6.481 1.00 0.00 C ATOM 182 O ASP A 15 7.968 -2.283 6.725 1.00 0.00 O ATOM 183 CB ASP A 15 6.070 -2.491 8.855 1.00 0.00 C ATOM 184 CG ASP A 15 5.019 -2.879 9.873 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.144 -3.964 10.480 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.074 -2.089 10.086 1.00 0.00 O ATOM 0 H ASP A 15 6.137 -4.973 8.562 1.00 0.00 H new ATOM 0 HA ASP A 15 4.849 -3.093 7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.056 -2.738 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.046 -1.411 8.711 1.00 0.00 H new ATOM 191 N PRO A 16 6.213 -2.147 5.319 1.00 0.00 N ATOM 192 CA PRO A 16 6.937 -1.447 4.256 1.00 0.00 C ATOM 193 C PRO A 16 7.359 -0.053 4.681 1.00 0.00 C ATOM 194 O PRO A 16 6.650 0.632 5.419 1.00 0.00 O ATOM 195 CB PRO A 16 5.925 -1.386 3.100 1.00 0.00 C ATOM 196 CG PRO A 16 4.942 -2.451 3.425 1.00 0.00 C ATOM 197 CD PRO A 16 4.831 -2.434 4.922 1.00 0.00 C ATOM 0 HA PRO A 16 7.863 -1.956 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.448 -0.408 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.406 -1.567 2.139 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.978 -2.255 2.956 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.280 -3.423 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.137 -1.670 5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.481 -3.388 5.317 1.00 0.00 H new ATOM 205 N THR A 17 8.515 0.355 4.207 1.00 0.00 N ATOM 206 CA THR A 17 9.078 1.638 4.563 1.00 0.00 C ATOM 207 C THR A 17 8.786 2.663 3.494 1.00 0.00 C ATOM 208 O THR A 17 9.060 2.457 2.312 1.00 0.00 O ATOM 209 CB THR A 17 10.600 1.528 4.777 1.00 0.00 C ATOM 210 OG1 THR A 17 10.881 0.500 5.738 1.00 0.00 O ATOM 211 CG2 THR A 17 11.185 2.849 5.256 1.00 0.00 C ATOM 0 H THR A 17 9.090 -0.192 3.566 1.00 0.00 H new ATOM 0 HA THR A 17 8.615 1.958 5.496 1.00 0.00 H new ATOM 0 HB THR A 17 11.061 1.276 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.850 0.432 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.260 2.740 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.994 3.623 4.512 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.721 3.131 6.201 1.00 0.00 H new ATOM 219 N VAL A 18 8.179 3.742 3.927 1.00 0.00 N ATOM 220 CA VAL A 18 7.969 4.893 3.068 1.00 0.00 C ATOM 221 C VAL A 18 9.266 5.684 2.966 1.00 0.00 C ATOM 222 O VAL A 18 9.788 6.176 3.966 1.00 0.00 O ATOM 223 CB VAL A 18 6.836 5.806 3.581 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.731 7.062 2.725 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.507 5.061 3.605 1.00 0.00 C ATOM 0 H VAL A 18 7.818 3.851 4.875 1.00 0.00 H new ATOM 0 HA VAL A 18 7.669 4.528 2.086 1.00 0.00 H new ATOM 0 HB VAL A 18 7.076 6.104 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.927 7.693 3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.672 7.610 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.519 6.782 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.724 5.725 3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.259 4.727 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.586 4.197 4.264 1.00 0.00 H new ATOM 235 N ASP A 19 9.789 5.790 1.759 1.00 0.00 N ATOM 236 CA ASP A 19 11.089 6.409 1.546 1.00 0.00 C ATOM 237 C ASP A 19 10.956 7.906 1.312 1.00 0.00 C ATOM 238 O ASP A 19 11.768 8.691 1.796 1.00 0.00 O ATOM 239 CB ASP A 19 11.805 5.752 0.367 1.00 0.00 C ATOM 240 CG ASP A 19 13.152 6.383 0.080 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.948 6.566 1.027 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.431 6.683 -1.101 1.00 0.00 O ATOM 0 H ASP A 19 9.335 5.456 0.909 1.00 0.00 H new ATOM 0 HA ASP A 19 11.682 6.260 2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.942 4.691 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.177 5.824 -0.521 1.00 0.00 H new ATOM 247 N GLN A 20 9.907 8.304 0.610 1.00 0.00 N ATOM 248 CA GLN A 20 9.718 9.704 0.253 1.00 0.00 C ATOM 249 C GLN A 20 8.284 10.133 0.508 1.00 0.00 C ATOM 250 O GLN A 20 7.338 9.463 0.089 1.00 0.00 O ATOM 251 CB GLN A 20 10.081 9.938 -1.219 1.00 0.00 C ATOM 252 CG GLN A 20 11.574 9.867 -1.505 1.00 0.00 C ATOM 253 CD GLN A 20 12.344 11.013 -0.873 1.00 0.00 C ATOM 254 OE1 GLN A 20 12.789 10.927 0.270 1.00 0.00 O ATOM 255 NE2 GLN A 20 12.506 12.097 -1.613 1.00 0.00 N ATOM 0 H GLN A 20 9.173 7.679 0.276 1.00 0.00 H new ATOM 0 HA GLN A 20 10.379 10.305 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.568 9.197 -1.832 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.709 10.916 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.967 8.921 -1.133 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.735 9.877 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.122 12.132 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.015 12.898 -1.239 1.00 0.00 H new ATOM 264 N VAL A 21 8.139 11.245 1.212 1.00 0.00 N ATOM 265 CA VAL A 21 6.831 11.767 1.572 1.00 0.00 C ATOM 266 C VAL A 21 6.691 13.221 1.134 1.00 0.00 C ATOM 267 O VAL A 21 7.468 14.080 1.546 1.00 0.00 O ATOM 268 CB VAL A 21 6.586 11.680 3.098 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.228 12.251 3.468 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.708 10.248 3.590 1.00 0.00 C ATOM 0 H VAL A 21 8.920 11.808 1.548 1.00 0.00 H new ATOM 0 HA VAL A 21 6.091 11.154 1.058 1.00 0.00 H new ATOM 0 HB VAL A 21 7.354 12.278 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.083 12.177 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.179 13.297 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.446 11.689 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.531 10.216 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.971 9.625 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.709 9.874 3.376 1.00 0.00 H new ATOM 280 N ASP A 22 5.707 13.485 0.289 1.00 0.00 N ATOM 281 CA ASP A 22 5.407 14.842 -0.153 1.00 0.00 C ATOM 282 C ASP A 22 3.944 15.162 0.120 1.00 0.00 C ATOM 283 O ASP A 22 3.269 14.433 0.847 1.00 0.00 O ATOM 284 CB ASP A 22 5.698 15.014 -1.650 1.00 0.00 C ATOM 285 CG ASP A 22 7.178 15.014 -1.972 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.818 16.081 -1.850 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.711 13.951 -2.359 1.00 0.00 O ATOM 0 H ASP A 22 5.096 12.772 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 22 6.045 15.528 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.212 14.210 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.257 15.950 -1.994 1.00 0.00 H new ATOM 292 N ASP A 23 3.461 16.257 -0.449 1.00 0.00 N ATOM 293 CA ASP A 23 2.059 16.639 -0.329 1.00 0.00 C ATOM 294 C ASP A 23 1.153 15.656 -1.057 1.00 0.00 C ATOM 295 O ASP A 23 0.285 15.027 -0.457 1.00 0.00 O ATOM 296 CB ASP A 23 1.843 18.050 -0.894 1.00 0.00 C ATOM 297 CG ASP A 23 2.474 18.244 -2.258 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.709 18.397 -2.328 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.747 18.240 -3.266 1.00 0.00 O ATOM 0 H ASP A 23 4.024 16.902 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 23 1.802 16.626 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.773 18.248 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.258 18.781 -0.200 1.00 0.00 H new ATOM 304 N THR A 24 1.382 15.522 -2.348 1.00 0.00 N ATOM 305 CA THR A 24 0.519 14.742 -3.216 1.00 0.00 C ATOM 306 C THR A 24 1.277 13.560 -3.824 1.00 0.00 C ATOM 307 O THR A 24 1.046 13.180 -4.970 1.00 0.00 O ATOM 308 CB THR A 24 -0.040 15.652 -4.323 1.00 0.00 C ATOM 309 OG1 THR A 24 1.036 16.338 -4.982 1.00 0.00 O ATOM 310 CG2 THR A 24 -0.992 16.677 -3.727 1.00 0.00 C ATOM 0 H THR A 24 2.173 15.952 -2.827 1.00 0.00 H new ATOM 0 HA THR A 24 -0.305 14.338 -2.628 1.00 0.00 H new ATOM 0 HB THR A 24 -0.577 15.034 -5.043 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.200 17.195 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.382 17.316 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.818 16.163 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.459 17.288 -2.998 1.00 0.00 H new ATOM 318 N SER A 25 2.163 12.976 -3.024 1.00 0.00 N ATOM 319 CA SER A 25 3.038 11.884 -3.454 1.00 0.00 C ATOM 320 C SER A 25 3.726 11.255 -2.242 1.00 0.00 C ATOM 321 O SER A 25 4.289 11.961 -1.410 1.00 0.00 O ATOM 322 CB SER A 25 4.112 12.371 -4.440 1.00 0.00 C ATOM 323 OG SER A 25 3.549 12.860 -5.648 1.00 0.00 O ATOM 0 H SER A 25 2.297 13.248 -2.050 1.00 0.00 H new ATOM 0 HA SER A 25 2.414 11.146 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.703 13.158 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.795 11.552 -4.665 1.00 0.00 H new ATOM 0 HG SER A 25 2.586 12.679 -5.657 1.00 0.00 H new ATOM 329 N ILE A 26 3.671 9.936 -2.144 1.00 0.00 N ATOM 330 CA ILE A 26 4.346 9.201 -1.067 1.00 0.00 C ATOM 331 C ILE A 26 4.783 7.839 -1.593 1.00 0.00 C ATOM 332 O ILE A 26 4.024 7.184 -2.286 1.00 0.00 O ATOM 333 CB ILE A 26 3.429 9.015 0.178 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.301 10.320 0.966 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.953 7.918 1.088 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.399 10.213 2.178 1.00 0.00 C ATOM 0 H ILE A 26 3.163 9.342 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 26 5.211 9.783 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 26 2.444 8.725 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.292 10.638 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.916 11.097 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.292 7.812 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.989 6.977 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.955 8.177 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.357 11.176 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.396 9.926 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.794 9.460 2.860 1.00 0.00 H new ATOM 348 N VAL A 27 5.991 7.400 -1.280 1.00 0.00 N ATOM 349 CA VAL A 27 6.485 6.160 -1.852 1.00 0.00 C ATOM 350 C VAL A 27 6.728 5.134 -0.772 1.00 0.00 C ATOM 351 O VAL A 27 7.440 5.404 0.191 1.00 0.00 O ATOM 352 CB VAL A 27 7.792 6.352 -2.624 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.184 5.039 -3.284 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.660 7.462 -3.652 1.00 0.00 C ATOM 0 H VAL A 27 6.636 7.873 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 27 5.714 5.818 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 27 8.577 6.648 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.115 5.172 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.321 4.274 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.397 4.728 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.603 7.577 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.870 7.210 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.412 8.396 -3.149 1.00 0.00 H new ATOM 364 N VAL A 28 6.168 3.951 -0.941 1.00 0.00 N ATOM 365 CA VAL A 28 6.290 2.925 0.071 1.00 0.00 C ATOM 366 C VAL A 28 6.924 1.678 -0.532 1.00 0.00 C ATOM 367 O VAL A 28 6.668 1.351 -1.690 1.00 0.00 O ATOM 368 CB VAL A 28 4.923 2.590 0.719 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.912 3.692 0.494 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.390 1.260 0.244 1.00 0.00 C ATOM 0 H VAL A 28 5.629 3.680 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 28 6.934 3.306 0.864 1.00 0.00 H new ATOM 0 HB VAL A 28 5.093 2.512 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.967 3.420 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.281 4.619 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.759 3.832 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.430 1.061 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.259 1.286 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.095 0.471 0.505 1.00 0.00 H new ATOM 380 N ARG A 29 7.753 1.000 0.250 1.00 0.00 N ATOM 381 CA ARG A 29 8.504 -0.156 -0.236 1.00 0.00 C ATOM 382 C ARG A 29 8.344 -1.335 0.713 1.00 0.00 C ATOM 383 O ARG A 29 8.731 -1.265 1.879 1.00 0.00 O ATOM 384 CB ARG A 29 9.991 0.191 -0.374 1.00 0.00 C ATOM 385 CG ARG A 29 10.260 1.520 -1.066 1.00 0.00 C ATOM 386 CD ARG A 29 11.750 1.785 -1.207 1.00 0.00 C ATOM 387 NE ARG A 29 12.389 0.881 -2.164 1.00 0.00 N ATOM 388 CZ ARG A 29 13.704 0.688 -2.244 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.521 1.316 -1.408 1.00 0.00 N ATOM 390 NH2 ARG A 29 14.205 -0.129 -3.162 1.00 0.00 N ATOM 0 H ARG A 29 7.925 1.230 1.229 1.00 0.00 H new ATOM 0 HA ARG A 29 8.108 -0.430 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.441 0.213 0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.488 -0.603 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.795 1.518 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.798 2.327 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.904 2.816 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.229 1.677 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 29 11.790 0.367 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.142 1.948 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.528 1.167 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.582 -0.612 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.213 -0.274 -3.220 1.00 0.00 H new ATOM 404 N TRP A 30 7.827 -2.427 0.183 1.00 0.00 N ATOM 405 CA TRP A 30 7.483 -3.599 0.989 1.00 0.00 C ATOM 406 C TRP A 30 8.415 -4.772 0.697 1.00 0.00 C ATOM 407 O TRP A 30 8.813 -4.999 -0.447 1.00 0.00 O ATOM 408 CB TRP A 30 6.019 -4.008 0.742 1.00 0.00 C ATOM 409 CG TRP A 30 5.679 -4.193 -0.698 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.893 -5.299 -1.445 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.035 -3.249 -1.549 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.460 -5.096 -2.728 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.911 -3.847 -2.813 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.555 -1.957 -1.365 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.327 -3.195 -3.888 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.970 -1.313 -2.431 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.856 -1.930 -3.673 1.00 0.00 C ATOM 0 H TRP A 30 7.632 -2.534 -0.812 1.00 0.00 H new ATOM 0 HA TRP A 30 7.605 -3.328 2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.816 -4.937 1.275 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.363 -3.247 1.165 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.341 -6.212 -1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.535 -5.766 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.640 -1.469 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.247 -3.667 -4.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.592 -0.310 -2.301 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.385 -1.397 -4.486 1.00 0.00 H new ATOM 428 N SER A 31 8.770 -5.507 1.742 1.00 0.00 N ATOM 429 CA SER A 31 9.581 -6.702 1.594 1.00 0.00 C ATOM 430 C SER A 31 8.690 -7.888 1.234 1.00 0.00 C ATOM 431 O SER A 31 8.224 -8.620 2.106 1.00 0.00 O ATOM 432 CB SER A 31 10.356 -6.976 2.884 1.00 0.00 C ATOM 433 OG SER A 31 11.086 -5.827 3.285 1.00 0.00 O ATOM 0 H SER A 31 8.507 -5.293 2.704 1.00 0.00 H new ATOM 0 HA SER A 31 10.301 -6.551 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.664 -7.268 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.039 -7.812 2.733 1.00 0.00 H new ATOM 0 HG SER A 31 11.574 -6.022 4.113 1.00 0.00 H new ATOM 439 N ARG A 32 8.454 -8.035 -0.063 1.00 0.00 N ATOM 440 CA ARG A 32 7.560 -9.058 -0.624 1.00 0.00 C ATOM 441 C ARG A 32 7.819 -10.468 -0.060 1.00 0.00 C ATOM 442 O ARG A 32 8.921 -10.781 0.395 1.00 0.00 O ATOM 443 CB ARG A 32 7.712 -9.062 -2.146 1.00 0.00 C ATOM 444 CG ARG A 32 9.151 -8.925 -2.591 1.00 0.00 C ATOM 445 CD ARG A 32 9.457 -7.527 -3.096 1.00 0.00 C ATOM 446 NE ARG A 32 10.892 -7.332 -3.294 1.00 0.00 N ATOM 447 CZ ARG A 32 11.470 -7.112 -4.475 1.00 0.00 C ATOM 448 NH1 ARG A 32 10.745 -7.081 -5.586 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.783 -6.933 -4.541 1.00 0.00 N ATOM 0 H ARG A 32 8.882 -7.440 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 32 6.541 -8.800 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.299 -9.988 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.127 -8.245 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.813 -9.163 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.358 -9.649 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.932 -7.355 -4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.084 -6.792 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 32 11.493 -7.367 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.736 -7.226 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.196 -6.912 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.345 -6.964 -3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.230 -6.764 -5.442 1.00 0.00 H new ATOM 463 N PRO A 33 6.790 -11.344 -0.127 1.00 0.00 N ATOM 464 CA PRO A 33 6.787 -12.666 0.506 1.00 0.00 C ATOM 465 C PRO A 33 7.527 -13.726 -0.297 1.00 0.00 C ATOM 466 O PRO A 33 7.893 -13.516 -1.454 1.00 0.00 O ATOM 467 CB PRO A 33 5.296 -13.040 0.558 1.00 0.00 C ATOM 468 CG PRO A 33 4.550 -11.901 -0.048 1.00 0.00 C ATOM 469 CD PRO A 33 5.541 -11.129 -0.852 1.00 0.00 C ATOM 0 HA PRO A 33 7.289 -12.627 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.108 -13.962 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.975 -13.211 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.736 -12.261 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.104 -11.274 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.601 -11.494 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.282 -10.072 -0.905 1.00 0.00 H new ATOM 477 N GLN A 34 7.727 -14.875 0.337 1.00 0.00 N ATOM 478 CA GLN A 34 8.354 -16.021 -0.307 1.00 0.00 C ATOM 479 C GLN A 34 7.283 -16.905 -0.937 1.00 0.00 C ATOM 480 O GLN A 34 7.584 -17.875 -1.633 1.00 0.00 O ATOM 481 CB GLN A 34 9.177 -16.842 0.689 1.00 0.00 C ATOM 482 CG GLN A 34 10.221 -16.045 1.466 1.00 0.00 C ATOM 483 CD GLN A 34 9.621 -15.148 2.537 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.161 -14.087 2.842 1.00 0.00 O ATOM 485 NE2 GLN A 34 8.514 -15.575 3.128 1.00 0.00 N ATOM 0 H GLN A 34 7.460 -15.038 1.308 1.00 0.00 H new ATOM 0 HA GLN A 34 9.029 -15.648 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.497 -17.313 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.680 -17.644 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.922 -16.737 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.793 -15.433 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.095 -16.462 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.081 -15.017 3.864 1.00 0.00 H new ATOM 494 N ALA A 35 6.030 -16.567 -0.659 1.00 0.00 N ATOM 495 CA ALA A 35 4.894 -17.245 -1.262 1.00 0.00 C ATOM 496 C ALA A 35 4.810 -16.913 -2.742 1.00 0.00 C ATOM 497 O ALA A 35 5.137 -15.795 -3.143 1.00 0.00 O ATOM 498 CB ALA A 35 3.607 -16.815 -0.573 1.00 0.00 C ATOM 0 H ALA A 35 5.776 -15.820 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 35 5.027 -18.320 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.761 -17.327 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.658 -17.071 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.480 -15.738 -0.679 1.00 0.00 H new ATOM 504 N PRO A 36 4.400 -17.872 -3.587 1.00 0.00 N ATOM 505 CA PRO A 36 4.112 -17.572 -4.978 1.00 0.00 C ATOM 506 C PRO A 36 2.839 -16.747 -5.073 1.00 0.00 C ATOM 507 O PRO A 36 1.743 -17.235 -4.790 1.00 0.00 O ATOM 508 CB PRO A 36 3.915 -18.950 -5.629 1.00 0.00 C ATOM 509 CG PRO A 36 4.364 -19.949 -4.611 1.00 0.00 C ATOM 510 CD PRO A 36 4.203 -19.290 -3.271 1.00 0.00 C ATOM 0 HA PRO A 36 4.900 -16.996 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.871 -19.109 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.498 -19.036 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.767 -20.859 -4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.402 -20.237 -4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.218 -19.477 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.937 -19.651 -2.551 1.00 0.00 H new ATOM 518 N ILE A 37 2.992 -15.508 -5.500 1.00 0.00 N ATOM 519 CA ILE A 37 1.894 -14.561 -5.520 1.00 0.00 C ATOM 520 C ILE A 37 1.656 -14.091 -6.952 1.00 0.00 C ATOM 521 O ILE A 37 2.542 -14.203 -7.797 1.00 0.00 O ATOM 522 CB ILE A 37 2.197 -13.355 -4.591 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.470 -12.638 -5.035 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.310 -13.790 -3.124 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.053 -11.735 -3.975 1.00 0.00 C ATOM 0 H ILE A 37 3.876 -15.131 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 37 0.993 -15.050 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 37 1.360 -12.661 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.216 -13.381 -5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.253 -12.047 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.523 -12.920 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.371 -14.243 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.117 -14.516 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.955 -11.258 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.324 -10.970 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.301 -12.324 -3.092 1.00 0.00 H new ATOM 537 N THR A 38 0.455 -13.608 -7.231 1.00 0.00 N ATOM 538 CA THR A 38 0.088 -13.207 -8.584 1.00 0.00 C ATOM 539 C THR A 38 0.139 -11.698 -8.801 1.00 0.00 C ATOM 540 O THR A 38 0.261 -11.243 -9.935 1.00 0.00 O ATOM 541 CB THR A 38 -1.311 -13.711 -8.956 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.232 -13.441 -7.894 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.281 -15.190 -9.260 1.00 0.00 C ATOM 0 H THR A 38 -0.284 -13.483 -6.539 1.00 0.00 H new ATOM 0 HA THR A 38 0.836 -13.666 -9.231 1.00 0.00 H new ATOM 0 HB THR A 38 -1.641 -13.183 -9.851 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.123 -13.766 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.284 -15.528 -9.522 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.606 -15.376 -10.095 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.932 -15.735 -8.383 1.00 0.00 H new ATOM 551 N GLY A 39 0.036 -10.916 -7.738 1.00 0.00 N ATOM 552 CA GLY A 39 0.101 -9.484 -7.898 1.00 0.00 C ATOM 553 C GLY A 39 0.039 -8.759 -6.585 1.00 0.00 C ATOM 554 O GLY A 39 0.209 -9.372 -5.540 1.00 0.00 O ATOM 0 H GLY A 39 -0.090 -11.244 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.025 -9.220 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.722 -9.154 -8.532 1.00 0.00 H new ATOM 558 N TYR A 40 -0.207 -7.462 -6.643 1.00 0.00 N ATOM 559 CA TYR A 40 -0.432 -6.658 -5.453 1.00 0.00 C ATOM 560 C TYR A 40 -1.551 -5.665 -5.677 1.00 0.00 C ATOM 561 O TYR A 40 -1.611 -5.006 -6.718 1.00 0.00 O ATOM 562 CB TYR A 40 0.816 -5.871 -5.064 1.00 0.00 C ATOM 563 CG TYR A 40 1.783 -6.625 -4.189 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.300 -7.845 -4.577 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.198 -6.096 -2.980 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.201 -8.517 -3.791 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.094 -6.770 -2.183 1.00 0.00 C ATOM 568 CZ TYR A 40 3.591 -7.977 -2.593 1.00 0.00 C ATOM 569 OH TYR A 40 4.499 -8.637 -1.815 1.00 0.00 O ATOM 0 H TYR A 40 -0.257 -6.936 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.693 -7.353 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.333 -5.562 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.510 -4.962 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.989 -8.278 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.813 -5.140 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.601 -9.467 -4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.404 -6.348 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 40 5.040 -9.231 -2.376 1.00 0.00 H new ATOM 579 N ARG A 41 -2.443 -5.571 -4.713 1.00 0.00 N ATOM 580 CA ARG A 41 -3.374 -4.459 -4.669 1.00 0.00 C ATOM 581 C ARG A 41 -2.870 -3.472 -3.656 1.00 0.00 C ATOM 582 O ARG A 41 -2.220 -3.857 -2.708 1.00 0.00 O ATOM 583 CB ARG A 41 -4.755 -4.898 -4.254 1.00 0.00 C ATOM 584 CG ARG A 41 -5.117 -6.284 -4.744 1.00 0.00 C ATOM 585 CD ARG A 41 -5.352 -6.327 -6.244 1.00 0.00 C ATOM 586 NE ARG A 41 -6.415 -5.412 -6.659 1.00 0.00 N ATOM 587 CZ ARG A 41 -7.096 -5.527 -7.797 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.877 -6.555 -8.609 1.00 0.00 N ATOM 589 NH2 ARG A 41 -8.009 -4.620 -8.113 1.00 0.00 N ATOM 0 H ARG A 41 -2.544 -6.245 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.440 -4.025 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.824 -4.875 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.485 -4.184 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.318 -6.978 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.015 -6.625 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.429 -6.069 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.612 -7.343 -6.541 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.649 -4.638 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.184 -7.262 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.402 -6.638 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.188 -3.837 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.532 -4.705 -8.984 1.00 0.00 H new ATOM 603 N ILE A 42 -3.112 -2.209 -3.861 1.00 0.00 N ATOM 604 CA ILE A 42 -2.641 -1.215 -2.905 1.00 0.00 C ATOM 605 C ILE A 42 -3.669 -0.144 -2.639 1.00 0.00 C ATOM 606 O ILE A 42 -3.890 0.708 -3.481 1.00 0.00 O ATOM 607 CB ILE A 42 -1.347 -0.550 -3.397 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.349 -1.612 -3.829 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.753 0.326 -2.304 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.845 -1.061 -4.550 1.00 0.00 C ATOM 0 H ILE A 42 -3.622 -1.835 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.452 -1.751 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.579 0.082 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.010 -2.159 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.853 -2.330 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.164 0.790 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.469 1.101 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.528 -0.285 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.512 -1.878 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.518 -0.539 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.374 -0.365 -3.899 1.00 0.00 H new ATOM 622 N VAL A 43 -4.246 -0.148 -1.446 1.00 0.00 N ATOM 623 CA VAL A 43 -5.262 0.843 -1.117 1.00 0.00 C ATOM 624 C VAL A 43 -4.744 1.816 -0.083 1.00 0.00 C ATOM 625 O VAL A 43 -4.543 1.469 1.078 1.00 0.00 O ATOM 626 CB VAL A 43 -6.583 0.218 -0.617 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.523 1.290 -0.102 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.253 -0.568 -1.728 1.00 0.00 C ATOM 0 H VAL A 43 -4.034 -0.813 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.482 1.367 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.347 -0.461 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.447 0.828 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.051 1.822 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.748 1.993 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.182 -1.001 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.470 0.097 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.589 -1.365 -2.062 1.00 0.00 H new ATOM 638 N TYR A 44 -4.528 3.034 -0.518 1.00 0.00 N ATOM 639 CA TYR A 44 -4.094 4.091 0.357 1.00 0.00 C ATOM 640 C TYR A 44 -5.189 5.112 0.489 1.00 0.00 C ATOM 641 O TYR A 44 -5.704 5.638 -0.503 1.00 0.00 O ATOM 642 CB TYR A 44 -2.785 4.720 -0.135 1.00 0.00 C ATOM 643 CG TYR A 44 -2.659 4.796 -1.641 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.404 3.650 -2.385 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.779 6.001 -2.317 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.277 3.698 -3.753 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.654 6.060 -3.688 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.401 4.907 -4.400 1.00 0.00 C ATOM 649 OH TYR A 44 -2.281 4.966 -5.762 1.00 0.00 O ATOM 0 H TYR A 44 -4.649 3.318 -1.490 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.887 3.675 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.702 5.726 0.276 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.948 4.144 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.304 2.702 -1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.973 6.906 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.082 2.796 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.754 7.005 -4.202 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.396 5.892 -6.061 1.00 0.00 H new ATOM 659 N SER A 45 -5.554 5.351 1.728 1.00 0.00 N ATOM 660 CA SER A 45 -6.683 6.202 2.046 1.00 0.00 C ATOM 661 C SER A 45 -6.385 7.104 3.236 1.00 0.00 C ATOM 662 O SER A 45 -5.809 6.663 4.227 1.00 0.00 O ATOM 663 CB SER A 45 -7.907 5.333 2.344 1.00 0.00 C ATOM 664 OG SER A 45 -7.596 4.311 3.279 1.00 0.00 O ATOM 0 H SER A 45 -5.079 4.963 2.543 1.00 0.00 H new ATOM 0 HA SER A 45 -6.882 6.841 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.711 5.955 2.736 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.272 4.885 1.420 1.00 0.00 H new ATOM 0 HG SER A 45 -8.396 3.772 3.453 1.00 0.00 H new ATOM 670 N PRO A 46 -6.778 8.381 3.149 1.00 0.00 N ATOM 671 CA PRO A 46 -6.660 9.327 4.257 1.00 0.00 C ATOM 672 C PRO A 46 -7.631 8.976 5.373 1.00 0.00 C ATOM 673 O PRO A 46 -8.818 8.751 5.129 1.00 0.00 O ATOM 674 CB PRO A 46 -7.035 10.670 3.643 1.00 0.00 C ATOM 675 CG PRO A 46 -7.126 10.451 2.172 1.00 0.00 C ATOM 676 CD PRO A 46 -7.401 8.997 1.973 1.00 0.00 C ATOM 0 HA PRO A 46 -5.663 9.323 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.984 11.027 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.286 11.426 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.920 11.058 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.198 10.741 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.470 8.791 1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.966 8.627 1.045 1.00 0.00 H new ATOM 744 N SER A 52 -8.250 8.678 -2.018 1.00 0.00 N ATOM 745 CA SER A 52 -7.872 7.291 -1.784 1.00 0.00 C ATOM 746 C SER A 52 -7.765 6.551 -3.106 1.00 0.00 C ATOM 747 O SER A 52 -8.575 6.762 -4.011 1.00 0.00 O ATOM 748 CB SER A 52 -8.882 6.598 -0.866 1.00 0.00 C ATOM 749 OG SER A 52 -10.212 6.943 -1.216 1.00 0.00 O ATOM 0 HA SER A 52 -6.900 7.277 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.755 5.517 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.690 6.880 0.169 1.00 0.00 H new ATOM 0 HG SER A 52 -10.206 7.754 -1.766 1.00 0.00 H new ATOM 755 N THR A 53 -6.770 5.692 -3.228 1.00 0.00 N ATOM 756 CA THR A 53 -6.509 5.035 -4.496 1.00 0.00 C ATOM 757 C THR A 53 -5.987 3.611 -4.297 1.00 0.00 C ATOM 758 O THR A 53 -5.362 3.307 -3.281 1.00 0.00 O ATOM 759 CB THR A 53 -5.491 5.857 -5.314 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.931 7.219 -5.419 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.301 5.281 -6.708 1.00 0.00 C ATOM 0 H THR A 53 -6.135 5.434 -2.473 1.00 0.00 H new ATOM 0 HA THR A 53 -7.452 4.973 -5.040 1.00 0.00 H new ATOM 0 HB THR A 53 -4.535 5.814 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.279 7.734 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.578 5.885 -7.256 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.935 4.257 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.254 5.287 -7.237 1.00 0.00 H new ATOM 769 N GLU A 54 -6.288 2.745 -5.262 1.00 0.00 N ATOM 770 CA GLU A 54 -5.761 1.400 -5.311 1.00 0.00 C ATOM 771 C GLU A 54 -4.866 1.237 -6.533 1.00 0.00 C ATOM 772 O GLU A 54 -5.318 1.402 -7.668 1.00 0.00 O ATOM 773 CB GLU A 54 -6.897 0.375 -5.372 1.00 0.00 C ATOM 774 CG GLU A 54 -6.417 -1.064 -5.520 1.00 0.00 C ATOM 775 CD GLU A 54 -7.552 -2.043 -5.739 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.583 -1.645 -6.322 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.420 -3.219 -5.334 1.00 0.00 O ATOM 0 H GLU A 54 -6.913 2.968 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.179 1.227 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.497 0.457 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.550 0.619 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.723 -1.126 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.863 -1.351 -4.626 1.00 0.00 H new ATOM 784 N LEU A 55 -3.596 0.941 -6.307 1.00 0.00 N ATOM 785 CA LEU A 55 -2.703 0.624 -7.411 1.00 0.00 C ATOM 786 C LEU A 55 -2.533 -0.877 -7.522 1.00 0.00 C ATOM 787 O LEU A 55 -2.640 -1.599 -6.533 1.00 0.00 O ATOM 788 CB LEU A 55 -1.338 1.337 -7.296 1.00 0.00 C ATOM 789 CG LEU A 55 -1.408 2.847 -7.512 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.025 3.453 -7.655 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.264 3.193 -8.724 1.00 0.00 C ATOM 0 H LEU A 55 -3.164 0.913 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.163 0.999 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.918 1.140 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.652 0.907 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.877 3.276 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.113 4.529 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.552 3.261 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.482 3.006 -8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.294 4.275 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.835 2.735 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.276 2.817 -8.574 1.00 0.00 H new ATOM 803 N ASN A 56 -2.338 -1.345 -8.737 1.00 0.00 N ATOM 804 CA ASN A 56 -2.086 -2.750 -8.980 1.00 0.00 C ATOM 805 C ASN A 56 -0.645 -2.922 -9.410 1.00 0.00 C ATOM 806 O ASN A 56 -0.244 -2.443 -10.472 1.00 0.00 O ATOM 807 CB ASN A 56 -3.029 -3.291 -10.057 1.00 0.00 C ATOM 808 CG ASN A 56 -2.811 -4.767 -10.371 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.961 -5.191 -11.515 1.00 0.00 O ATOM 810 ND2 ASN A 56 -2.479 -5.565 -9.364 1.00 0.00 N ATOM 0 H ASN A 56 -2.349 -0.768 -9.578 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.267 -3.312 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.059 -3.145 -9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.897 -2.710 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.341 -6.562 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.362 -5.181 -8.426 1.00 0.00 H new ATOM 817 N LEU A 57 0.136 -3.591 -8.585 1.00 0.00 N ATOM 818 CA LEU A 57 1.540 -3.774 -8.867 1.00 0.00 C ATOM 819 C LEU A 57 1.789 -5.223 -9.205 1.00 0.00 C ATOM 820 O LEU A 57 1.036 -6.100 -8.788 1.00 0.00 O ATOM 821 CB LEU A 57 2.423 -3.334 -7.682 1.00 0.00 C ATOM 822 CG LEU A 57 2.544 -1.827 -7.454 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.929 -1.487 -6.945 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.249 -1.043 -8.710 1.00 0.00 C ATOM 0 H LEU A 57 -0.181 -4.016 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 57 1.809 -3.145 -9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.028 -3.787 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.424 -3.739 -7.831 1.00 0.00 H new ATOM 0 HG LEU A 57 1.802 -1.547 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.004 -0.411 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.108 -2.006 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.673 -1.798 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.346 0.023 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.954 -1.328 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.233 -1.257 -9.043 1.00 0.00 H new ATOM 836 N PRO A 58 2.817 -5.490 -10.004 1.00 0.00 N ATOM 837 CA PRO A 58 3.192 -6.849 -10.344 1.00 0.00 C ATOM 838 C PRO A 58 3.572 -7.647 -9.104 1.00 0.00 C ATOM 839 O PRO A 58 4.045 -7.098 -8.111 1.00 0.00 O ATOM 840 CB PRO A 58 4.399 -6.691 -11.278 1.00 0.00 C ATOM 841 CG PRO A 58 4.853 -5.277 -11.138 1.00 0.00 C ATOM 842 CD PRO A 58 3.676 -4.483 -10.644 1.00 0.00 C ATOM 0 HA PRO A 58 2.371 -7.394 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.195 -7.384 -11.006 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.124 -6.911 -12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.686 -5.207 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.206 -4.889 -12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.982 -3.711 -9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.161 -3.980 -11.462 1.00 0.00 H new ATOM 850 N GLU A 59 3.311 -8.944 -9.175 1.00 0.00 N ATOM 851 CA GLU A 59 3.664 -9.906 -8.120 1.00 0.00 C ATOM 852 C GLU A 59 5.100 -9.744 -7.619 1.00 0.00 C ATOM 853 O GLU A 59 5.429 -10.150 -6.506 1.00 0.00 O ATOM 854 CB GLU A 59 3.485 -11.328 -8.653 1.00 0.00 C ATOM 855 CG GLU A 59 4.264 -11.599 -9.932 1.00 0.00 C ATOM 856 CD GLU A 59 4.162 -13.039 -10.386 1.00 0.00 C ATOM 857 OE1 GLU A 59 4.971 -13.871 -9.922 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.276 -13.350 -11.213 1.00 0.00 O ATOM 0 H GLU A 59 2.842 -9.372 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 59 3.000 -9.712 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.801 -12.037 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.426 -11.508 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.894 -10.946 -10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.312 -11.346 -9.774 1.00 0.00 H new ATOM 865 N THR A 60 5.944 -9.154 -8.444 1.00 0.00 N ATOM 866 CA THR A 60 7.355 -9.007 -8.135 1.00 0.00 C ATOM 867 C THR A 60 7.697 -7.553 -7.792 1.00 0.00 C ATOM 868 O THR A 60 8.867 -7.168 -7.765 1.00 0.00 O ATOM 869 CB THR A 60 8.218 -9.498 -9.321 1.00 0.00 C ATOM 870 OG1 THR A 60 9.615 -9.363 -9.030 1.00 0.00 O ATOM 871 CG2 THR A 60 7.877 -8.730 -10.590 1.00 0.00 C ATOM 0 H THR A 60 5.672 -8.763 -9.346 1.00 0.00 H new ATOM 0 HA THR A 60 7.576 -9.620 -7.261 1.00 0.00 H new ATOM 0 HB THR A 60 7.996 -10.554 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.760 -8.560 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.496 -9.091 -11.411 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.825 -8.880 -10.835 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.065 -7.668 -10.434 1.00 0.00 H new ATOM 879 N ALA A 61 6.676 -6.756 -7.509 1.00 0.00 N ATOM 880 CA ALA A 61 6.878 -5.353 -7.176 1.00 0.00 C ATOM 881 C ALA A 61 7.255 -5.205 -5.715 1.00 0.00 C ATOM 882 O ALA A 61 7.067 -6.132 -4.922 1.00 0.00 O ATOM 883 CB ALA A 61 5.630 -4.546 -7.477 1.00 0.00 C ATOM 0 H ALA A 61 5.701 -7.056 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 61 7.694 -4.971 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.802 -3.501 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.392 -4.625 -8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.797 -4.931 -6.889 1.00 0.00 H new ATOM 889 N ASN A 62 7.775 -4.044 -5.352 1.00 0.00 N ATOM 890 CA ASN A 62 8.228 -3.821 -3.988 1.00 0.00 C ATOM 891 C ASN A 62 8.081 -2.372 -3.559 1.00 0.00 C ATOM 892 O ASN A 62 8.603 -1.989 -2.519 1.00 0.00 O ATOM 893 CB ASN A 62 9.688 -4.246 -3.836 1.00 0.00 C ATOM 894 CG ASN A 62 10.621 -3.484 -4.761 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.810 -3.863 -5.915 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.229 -2.422 -4.258 1.00 0.00 N ATOM 0 H ASN A 62 7.894 -3.247 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 62 7.593 -4.428 -3.343 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.001 -4.092 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.774 -5.313 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.880 -1.887 -4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.047 -2.138 -3.295 1.00 0.00 H new ATOM 903 N SER A 63 7.378 -1.564 -4.337 1.00 0.00 N ATOM 904 CA SER A 63 7.227 -0.160 -3.992 1.00 0.00 C ATOM 905 C SER A 63 6.169 0.529 -4.850 1.00 0.00 C ATOM 906 O SER A 63 6.144 0.370 -6.070 1.00 0.00 O ATOM 907 CB SER A 63 8.572 0.558 -4.148 1.00 0.00 C ATOM 908 OG SER A 63 9.151 0.292 -5.415 1.00 0.00 O ATOM 0 H SER A 63 6.910 -1.850 -5.197 1.00 0.00 H new ATOM 0 HA SER A 63 6.895 -0.107 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.430 1.632 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.252 0.237 -3.359 1.00 0.00 H new ATOM 0 HG SER A 63 8.443 0.215 -6.088 1.00 0.00 H new ATOM 914 N VAL A 64 5.304 1.299 -4.206 1.00 0.00 N ATOM 915 CA VAL A 64 4.292 2.072 -4.916 1.00 0.00 C ATOM 916 C VAL A 64 4.514 3.566 -4.693 1.00 0.00 C ATOM 917 O VAL A 64 4.831 3.996 -3.572 1.00 0.00 O ATOM 918 CB VAL A 64 2.846 1.709 -4.494 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.665 1.795 -3.004 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.857 2.592 -5.192 1.00 0.00 C ATOM 0 H VAL A 64 5.282 1.406 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 64 4.401 1.822 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 64 2.667 0.676 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.639 1.534 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.350 1.103 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.875 2.811 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.847 2.322 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.051 3.632 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.953 2.464 -6.270 1.00 0.00 H new ATOM 930 N THR A 65 4.391 4.338 -5.765 1.00 0.00 N ATOM 931 CA THR A 65 4.381 5.773 -5.682 1.00 0.00 C ATOM 932 C THR A 65 2.941 6.284 -5.725 1.00 0.00 C ATOM 933 O THR A 65 2.303 6.319 -6.779 1.00 0.00 O ATOM 934 CB THR A 65 5.186 6.354 -6.846 1.00 0.00 C ATOM 935 OG1 THR A 65 6.570 6.012 -6.695 1.00 0.00 O ATOM 936 CG2 THR A 65 5.029 7.867 -6.944 1.00 0.00 C ATOM 0 H THR A 65 4.296 3.975 -6.714 1.00 0.00 H new ATOM 0 HA THR A 65 4.835 6.088 -4.742 1.00 0.00 H new ATOM 0 HB THR A 65 4.799 5.923 -7.769 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.082 6.384 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.616 8.240 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.979 8.115 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.380 8.330 -6.021 1.00 0.00 H new ATOM 944 N LEU A 66 2.433 6.638 -4.565 1.00 0.00 N ATOM 945 CA LEU A 66 1.092 7.176 -4.429 1.00 0.00 C ATOM 946 C LEU A 66 1.102 8.640 -4.823 1.00 0.00 C ATOM 947 O LEU A 66 2.051 9.359 -4.502 1.00 0.00 O ATOM 948 CB LEU A 66 0.617 7.054 -2.987 1.00 0.00 C ATOM 949 CG LEU A 66 1.345 6.016 -2.142 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.112 6.281 -0.682 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.886 4.621 -2.511 1.00 0.00 C ATOM 0 H LEU A 66 2.939 6.561 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 66 0.417 6.615 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.720 8.026 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.446 6.812 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 66 2.414 6.089 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.637 5.533 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.485 7.273 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.044 6.230 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.415 3.890 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.186 4.533 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.099 4.435 -3.564 1.00 0.00 H new ATOM 963 N SER A 67 0.049 9.083 -5.485 1.00 0.00 N ATOM 964 CA SER A 67 -0.007 10.439 -5.993 1.00 0.00 C ATOM 965 C SER A 67 -1.374 11.055 -5.724 1.00 0.00 C ATOM 966 O SER A 67 -2.308 10.361 -5.310 1.00 0.00 O ATOM 967 CB SER A 67 0.297 10.449 -7.496 1.00 0.00 C ATOM 968 OG SER A 67 0.440 11.773 -7.986 1.00 0.00 O ATOM 0 H SER A 67 -0.779 8.522 -5.683 1.00 0.00 H new ATOM 0 HA SER A 67 0.745 11.036 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.211 9.888 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.505 9.945 -8.035 1.00 0.00 H new ATOM 0 HG SER A 67 0.635 11.747 -8.946 1.00 0.00 H new ATOM 974 N ASP A 68 -1.467 12.363 -5.953 1.00 0.00 N ATOM 975 CA ASP A 68 -2.697 13.127 -5.758 1.00 0.00 C ATOM 976 C ASP A 68 -3.195 13.032 -4.323 1.00 0.00 C ATOM 977 O ASP A 68 -4.397 13.057 -4.071 1.00 0.00 O ATOM 978 CB ASP A 68 -3.792 12.677 -6.731 1.00 0.00 C ATOM 979 CG ASP A 68 -3.446 12.973 -8.175 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.134 14.143 -8.490 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.476 12.036 -9.002 1.00 0.00 O ATOM 0 H ASP A 68 -0.684 12.927 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.460 14.170 -5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.959 11.606 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.727 13.176 -6.476 1.00 0.00 H new ATOM 986 N LEU A 69 -2.260 12.932 -3.384 1.00 0.00 N ATOM 987 CA LEU A 69 -2.599 12.918 -1.965 1.00 0.00 C ATOM 988 C LEU A 69 -3.046 14.312 -1.527 1.00 0.00 C ATOM 989 O LEU A 69 -3.168 15.219 -2.346 1.00 0.00 O ATOM 990 CB LEU A 69 -1.406 12.486 -1.104 1.00 0.00 C ATOM 991 CG LEU A 69 -0.551 11.345 -1.636 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.636 11.136 -0.728 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.377 10.079 -1.705 1.00 0.00 C ATOM 0 H LEU A 69 -1.262 12.859 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.406 12.199 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.762 13.353 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.782 12.199 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.196 11.594 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.247 10.319 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.232 12.048 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.288 10.890 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.762 9.264 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.738 9.826 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.226 10.235 -2.370 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.317 14.476 -0.246 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.648 15.782 0.289 1.00 0.00 C ATOM 1007 C GLN A 70 -2.702 16.122 1.439 1.00 0.00 C ATOM 1008 O GLN A 70 -2.543 15.329 2.368 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.105 15.812 0.746 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.551 17.160 1.284 1.00 0.00 C ATOM 1011 CD GLN A 70 -7.020 17.182 1.649 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -7.397 16.880 2.783 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.858 17.542 0.694 1.00 0.00 N ATOM 0 H GLN A 70 -3.314 13.723 0.442 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.527 16.534 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.745 15.536 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.249 15.057 1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.958 17.411 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.354 17.929 0.537 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.503 17.784 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.860 17.578 0.882 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.041 17.292 1.367 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.044 17.716 2.362 1.00 0.00 C ATOM 1024 C PRO A 71 -1.623 17.915 3.763 1.00 0.00 C ATOM 1025 O PRO A 71 -2.659 18.562 3.940 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.524 19.043 1.814 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.576 19.524 0.876 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.208 18.292 0.297 1.00 0.00 C ATOM 0 HA PRO A 71 -0.276 16.953 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.356 19.761 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.428 18.910 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.314 20.133 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.145 20.147 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.259 18.453 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.715 17.982 -0.624 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.938 17.351 4.754 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.346 17.509 6.135 1.00 0.00 C ATOM 1038 C GLY A 72 -2.341 16.454 6.564 1.00 0.00 C ATOM 1039 O GLY A 72 -3.082 16.644 7.532 1.00 0.00 O ATOM 0 H GLY A 72 -0.101 16.783 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.468 17.460 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.786 18.497 6.271 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.363 15.336 5.848 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.324 14.280 6.126 1.00 0.00 C ATOM 1045 C VAL A 73 -2.631 12.940 6.352 1.00 0.00 C ATOM 1046 O VAL A 73 -1.581 12.655 5.771 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.344 14.132 4.982 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.463 13.202 5.363 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.948 15.453 4.593 1.00 0.00 C ATOM 0 H VAL A 73 -1.728 15.139 5.074 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.849 14.568 7.037 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.790 13.724 4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.166 13.119 4.534 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.056 12.217 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.980 13.594 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.662 15.302 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.460 15.886 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.160 16.130 4.261 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.241 12.130 7.203 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.744 10.818 7.549 1.00 0.00 C ATOM 1061 C GLN A 74 -3.142 9.812 6.476 1.00 0.00 C ATOM 1062 O GLN A 74 -4.329 9.540 6.283 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.363 10.424 8.879 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.587 9.371 9.657 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.249 9.871 10.166 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -1.160 10.448 11.248 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.195 9.637 9.404 1.00 0.00 N ATOM 0 H GLN A 74 -4.110 12.375 7.678 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.657 10.831 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.458 11.316 9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.372 10.052 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.188 9.036 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.424 8.503 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.307 9.155 8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.731 9.938 9.708 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.161 9.273 5.774 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.433 8.336 4.700 1.00 0.00 C ATOM 1078 C TYR A 75 -2.121 6.906 5.100 1.00 0.00 C ATOM 1079 O TYR A 75 -0.976 6.554 5.366 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.656 8.721 3.445 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.477 9.564 2.506 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.645 10.926 2.719 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.110 8.986 1.417 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.424 11.687 1.869 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.883 9.738 0.562 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.041 11.086 0.792 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.820 11.833 -0.057 1.00 0.00 O ATOM 0 H TYR A 75 -1.172 9.468 5.928 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.500 8.388 4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.757 9.267 3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.330 7.817 2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.160 11.397 3.561 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.995 7.927 1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.549 12.745 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.364 9.273 -0.286 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.180 11.257 -0.763 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.162 6.092 5.150 1.00 0.00 N ATOM 1098 CA ASN A 76 -3.021 4.677 5.432 1.00 0.00 C ATOM 1099 C ASN A 76 -2.775 3.920 4.137 1.00 0.00 C ATOM 1100 O ASN A 76 -3.691 3.747 3.330 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.287 4.129 6.101 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.644 4.851 7.385 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -5.350 5.858 7.365 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -4.175 4.335 8.511 1.00 0.00 N ATOM 0 H ASN A 76 -4.124 6.394 4.997 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.177 4.543 6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.121 4.207 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.148 3.069 6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.396 4.774 9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.592 3.498 8.485 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.538 3.495 3.930 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.200 2.681 2.774 1.00 0.00 C ATOM 1113 C ILE A 77 -1.330 1.221 3.137 1.00 0.00 C ATOM 1114 O ILE A 77 -0.647 0.722 4.032 1.00 0.00 O ATOM 1115 CB ILE A 77 0.233 2.937 2.252 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.435 4.378 1.808 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.574 2.018 1.092 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.850 5.323 2.914 1.00 0.00 C ATOM 0 H ILE A 77 -0.752 3.700 4.547 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.893 2.956 1.979 1.00 0.00 H new ATOM 0 HB ILE A 77 0.898 2.731 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.193 4.401 1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.492 4.742 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.588 2.225 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.506 0.980 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.127 2.189 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.971 6.327 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.084 5.335 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.795 4.989 3.343 1.00 0.00 H new ATOM 1130 N THR A 78 -2.234 0.553 2.467 1.00 0.00 N ATOM 1131 CA THR A 78 -2.470 -0.837 2.705 1.00 0.00 C ATOM 1132 C THR A 78 -1.970 -1.679 1.535 1.00 0.00 C ATOM 1133 O THR A 78 -2.487 -1.567 0.411 1.00 0.00 O ATOM 1134 CB THR A 78 -3.960 -1.074 2.940 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.388 -0.302 4.070 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.254 -2.546 3.186 1.00 0.00 C ATOM 0 H THR A 78 -2.824 0.962 1.743 1.00 0.00 H new ATOM 0 HA THR A 78 -1.918 -1.140 3.595 1.00 0.00 H new ATOM 0 HB THR A 78 -4.503 -0.766 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.345 -0.450 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.323 -2.681 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.943 -3.129 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.707 -2.884 4.066 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.962 -2.512 1.805 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.383 -3.366 0.760 1.00 0.00 C ATOM 1146 C ILE A 79 -1.013 -4.751 0.814 1.00 0.00 C ATOM 1147 O ILE A 79 -0.937 -5.439 1.828 1.00 0.00 O ATOM 1148 CB ILE A 79 1.162 -3.566 0.845 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.963 -2.287 1.038 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.676 -4.212 -0.411 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.577 -1.149 0.135 1.00 0.00 C ATOM 0 H ILE A 79 -0.533 -2.615 2.725 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.594 -2.837 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 79 1.303 -4.190 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.855 -1.962 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.018 -2.511 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.755 -4.345 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.199 -5.183 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.447 -3.577 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.205 -0.285 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.714 -1.447 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.532 -0.889 0.304 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.623 -5.154 -0.274 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.212 -6.473 -0.389 1.00 0.00 C ATOM 1165 C TYR A 80 -1.375 -7.332 -1.326 1.00 0.00 C ATOM 1166 O TYR A 80 -1.352 -7.083 -2.539 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.628 -6.391 -0.976 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.580 -5.446 -0.277 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.692 -4.113 -0.671 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.397 -5.897 0.754 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.586 -3.266 -0.052 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.296 -5.053 1.370 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.387 -3.740 0.964 1.00 0.00 C ATOM 1174 OH TYR A 80 -7.285 -2.896 1.577 1.00 0.00 O ATOM 0 H TYR A 80 -1.727 -4.578 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.249 -6.907 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.550 -6.090 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.064 -7.390 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.070 -3.740 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.326 -6.925 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.658 -2.234 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.926 -5.419 2.167 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.773 -3.386 2.271 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.709 -8.340 -0.783 1.00 0.00 N ATOM 1185 CA ALA A 81 -0.064 -9.343 -1.613 1.00 0.00 C ATOM 1186 C ALA A 81 -1.132 -10.321 -2.062 1.00 0.00 C ATOM 1187 O ALA A 81 -1.859 -10.868 -1.231 1.00 0.00 O ATOM 1188 CB ALA A 81 1.060 -10.060 -0.858 1.00 0.00 C ATOM 0 H ALA A 81 -0.602 -8.484 0.221 1.00 0.00 H new ATOM 0 HA ALA A 81 0.402 -8.868 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.520 -10.803 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.812 -9.334 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.649 -10.554 0.023 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.276 -10.499 -3.363 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.337 -11.367 -3.870 1.00 0.00 C ATOM 1196 C VAL A 82 -1.755 -12.572 -4.584 1.00 0.00 C ATOM 1197 O VAL A 82 -0.830 -12.436 -5.379 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.336 -10.621 -4.798 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.677 -10.081 -6.042 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.494 -11.520 -5.188 1.00 0.00 C ATOM 0 H VAL A 82 -0.690 -10.068 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.900 -11.704 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.711 -9.774 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.420 -9.570 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.892 -9.379 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.243 -10.904 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.177 -10.972 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.114 -12.394 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.024 -11.840 -4.291 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.298 -13.747 -4.287 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.822 -14.987 -4.850 1.00 0.00 C ATOM 1212 C GLU A 83 -2.877 -15.564 -5.776 1.00 0.00 C ATOM 1213 O GLU A 83 -3.995 -15.051 -5.853 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.477 -16.025 -3.780 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.583 -15.552 -2.655 1.00 0.00 C ATOM 1216 CD GLU A 83 -1.205 -14.488 -1.772 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -2.344 -14.689 -1.310 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -0.554 -13.450 -1.543 1.00 0.00 O ATOM 0 H GLU A 83 -3.083 -13.858 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.908 -14.759 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.407 -16.393 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.995 -16.873 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.312 -16.408 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.341 -15.161 -3.080 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.493 -16.612 -6.489 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.318 -17.231 -7.523 1.00 0.00 C ATOM 1227 C GLU A 84 -4.792 -17.371 -7.131 1.00 0.00 C ATOM 1228 O GLU A 84 -5.676 -17.056 -7.929 1.00 0.00 O ATOM 1229 CB GLU A 84 -2.731 -18.595 -7.875 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.271 -18.519 -8.289 1.00 0.00 C ATOM 1231 CD GLU A 84 -0.701 -19.860 -8.692 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.156 -20.423 -9.707 1.00 0.00 O ATOM 1233 OE2 GLU A 84 0.211 -20.353 -7.995 1.00 0.00 O ATOM 0 H GLU A 84 -1.587 -17.065 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.303 -16.568 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.826 -19.259 -7.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.311 -19.037 -8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.171 -17.823 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.685 -18.115 -7.463 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.066 -17.824 -5.914 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.447 -18.057 -5.504 1.00 0.00 C ATOM 1242 C ASN A 85 -6.793 -17.315 -4.212 1.00 0.00 C ATOM 1243 O ASN A 85 -7.966 -17.177 -3.865 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.692 -19.562 -5.328 1.00 0.00 C ATOM 1245 CG ASN A 85 -8.168 -19.918 -5.261 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -8.812 -20.121 -6.291 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -8.709 -20.017 -4.057 1.00 0.00 N ATOM 0 H ASN A 85 -4.365 -18.035 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.096 -17.668 -6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.231 -20.099 -6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.200 -19.901 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.692 -20.269 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.142 -19.841 -3.227 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.785 -16.813 -3.513 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.989 -16.257 -2.197 1.00 0.00 C ATOM 1256 C GLN A 86 -5.395 -14.865 -2.087 1.00 0.00 C ATOM 1257 O GLN A 86 -4.778 -14.372 -3.025 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.376 -17.183 -1.150 1.00 0.00 C ATOM 1259 CG GLN A 86 -3.894 -17.485 -1.353 1.00 0.00 C ATOM 1260 CD GLN A 86 -3.643 -18.580 -2.382 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -3.494 -18.319 -3.577 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.598 -19.819 -1.921 1.00 0.00 N ATOM 0 H GLN A 86 -4.820 -16.783 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.061 -16.171 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.510 -16.734 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.927 -18.123 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.384 -16.575 -1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.456 -17.783 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.726 -19.997 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.436 -20.596 -2.562 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.646 -14.224 -0.957 1.00 0.00 N ATOM 1272 CA GLU A 87 -5.093 -12.917 -0.664 1.00 0.00 C ATOM 1273 C GLU A 87 -4.411 -12.947 0.704 1.00 0.00 C ATOM 1274 O GLU A 87 -5.023 -13.358 1.697 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.202 -11.860 -0.655 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.945 -11.682 -1.978 1.00 0.00 C ATOM 1277 CD GLU A 87 -7.837 -12.852 -2.363 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -8.566 -13.371 -1.487 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.830 -13.251 -3.549 1.00 0.00 O ATOM 0 H GLU A 87 -6.240 -14.598 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.366 -12.661 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.926 -12.123 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.766 -10.902 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.555 -10.781 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.215 -11.522 -2.771 1.00 0.00 H new ATOM 1286 N SER A 88 -3.156 -12.525 0.760 1.00 0.00 N ATOM 1287 CA SER A 88 -2.412 -12.503 2.013 1.00 0.00 C ATOM 1288 C SER A 88 -2.896 -11.389 2.941 1.00 0.00 C ATOM 1289 O SER A 88 -3.713 -10.548 2.550 1.00 0.00 O ATOM 1290 CB SER A 88 -0.916 -12.340 1.744 1.00 0.00 C ATOM 1291 OG SER A 88 -0.387 -13.481 1.098 1.00 0.00 O ATOM 0 H SER A 88 -2.630 -12.193 -0.048 1.00 0.00 H new ATOM 0 HA SER A 88 -2.588 -13.456 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.749 -11.458 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.390 -12.174 2.684 1.00 0.00 H new ATOM 0 HG SER A 88 -0.136 -13.250 0.179 1.00 0.00 H new ATOM 1297 N THR A 89 -2.394 -11.399 4.171 1.00 0.00 N ATOM 1298 CA THR A 89 -2.719 -10.374 5.151 1.00 0.00 C ATOM 1299 C THR A 89 -2.289 -8.987 4.669 1.00 0.00 C ATOM 1300 O THR A 89 -1.346 -8.849 3.891 1.00 0.00 O ATOM 1301 CB THR A 89 -2.059 -10.698 6.507 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.779 -11.310 6.299 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.944 -11.620 7.331 1.00 0.00 C ATOM 0 H THR A 89 -1.754 -12.115 4.514 1.00 0.00 H new ATOM 0 HA THR A 89 -3.802 -10.365 5.278 1.00 0.00 H new ATOM 0 HB THR A 89 -1.926 -9.765 7.054 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.367 -11.510 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.459 -11.835 8.283 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.903 -11.136 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.105 -12.551 6.787 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.003 -7.940 5.094 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.746 -6.581 4.635 1.00 0.00 C ATOM 1313 C PRO A 90 -1.652 -5.847 5.417 1.00 0.00 C ATOM 1314 O PRO A 90 -1.539 -5.969 6.638 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.097 -5.903 4.853 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.682 -6.596 6.038 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.143 -8.001 6.028 1.00 0.00 C ATOM 0 HA PRO A 90 -2.378 -6.571 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.979 -4.835 5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.738 -6.007 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.408 -6.083 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.771 -6.599 5.986 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.827 -8.314 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.896 -8.715 5.693 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.859 -5.086 4.680 1.00 0.00 N ATOM 1326 CA VAL A 91 0.063 -4.109 5.243 1.00 0.00 C ATOM 1327 C VAL A 91 -0.699 -2.840 5.533 1.00 0.00 C ATOM 1328 O VAL A 91 -1.378 -2.346 4.644 1.00 0.00 O ATOM 1329 CB VAL A 91 1.136 -3.711 4.227 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.747 -2.376 4.619 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.210 -4.771 4.090 1.00 0.00 C ATOM 0 H VAL A 91 -0.836 -5.129 3.661 1.00 0.00 H new ATOM 0 HA VAL A 91 0.515 -4.554 6.130 1.00 0.00 H new ATOM 0 HB VAL A 91 0.656 -3.616 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.510 -2.098 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.970 -1.612 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.200 -2.459 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.950 -4.446 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.695 -4.924 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.758 -5.706 3.758 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.584 -2.299 6.733 1.00 0.00 N ATOM 1342 CA VAL A 92 -1.151 -0.991 7.001 1.00 0.00 C ATOM 1343 C VAL A 92 -0.083 -0.065 7.569 1.00 0.00 C ATOM 1344 O VAL A 92 0.327 -0.205 8.720 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.347 -1.048 7.972 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -3.083 0.282 7.967 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.293 -2.185 7.612 1.00 0.00 C ATOM 0 H VAL A 92 -0.112 -2.736 7.524 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.519 -0.606 6.050 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.966 -1.238 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.927 0.234 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.404 1.075 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.447 0.493 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.127 -2.201 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.672 -2.036 6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.758 -3.133 7.663 1.00 0.00 H new ATOM 1357 N ILE A 93 0.369 0.870 6.749 1.00 0.00 N ATOM 1358 CA ILE A 93 1.358 1.852 7.168 1.00 0.00 C ATOM 1359 C ILE A 93 0.806 3.259 6.986 1.00 0.00 C ATOM 1360 O ILE A 93 0.581 3.707 5.863 1.00 0.00 O ATOM 1361 CB ILE A 93 2.690 1.703 6.387 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.428 1.450 4.905 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.529 0.582 6.979 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.642 1.685 4.045 1.00 0.00 C ATOM 0 H ILE A 93 0.064 0.970 5.781 1.00 0.00 H new ATOM 0 HA ILE A 93 1.570 1.674 8.222 1.00 0.00 H new ATOM 0 HB ILE A 93 3.244 2.637 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.088 0.423 4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.620 2.099 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.460 0.490 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.753 0.807 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.977 -0.356 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.393 1.489 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.969 2.719 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.444 1.017 4.358 1.00 0.00 H new ATOM 1376 N GLN A 94 0.554 3.943 8.090 1.00 0.00 N ATOM 1377 CA GLN A 94 0.001 5.285 8.026 1.00 0.00 C ATOM 1378 C GLN A 94 1.096 6.337 8.135 1.00 0.00 C ATOM 1379 O GLN A 94 1.784 6.448 9.149 1.00 0.00 O ATOM 1380 CB GLN A 94 -1.094 5.514 9.088 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.662 5.345 10.543 1.00 0.00 C ATOM 1382 CD GLN A 94 -0.489 3.896 10.952 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.444 3.236 11.356 1.00 0.00 O ATOM 1384 NE2 GLN A 94 0.735 3.402 10.883 1.00 0.00 N ATOM 0 H GLN A 94 0.722 3.594 9.034 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.473 5.387 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.489 6.522 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.914 4.823 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.278 5.874 10.700 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.403 5.812 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.501 3.983 10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.914 2.440 11.171 1.00 0.00 H new ATOM 1393 N GLN A 95 1.259 7.089 7.062 1.00 0.00 N ATOM 1394 CA GLN A 95 2.222 8.170 7.005 1.00 0.00 C ATOM 1395 C GLN A 95 1.506 9.470 6.668 1.00 0.00 C ATOM 1396 O GLN A 95 0.694 9.509 5.746 1.00 0.00 O ATOM 1397 CB GLN A 95 3.286 7.867 5.945 1.00 0.00 C ATOM 1398 CG GLN A 95 4.704 7.783 6.491 1.00 0.00 C ATOM 1399 CD GLN A 95 5.168 9.059 7.176 1.00 0.00 C ATOM 1400 OE1 GLN A 95 5.982 9.014 8.098 1.00 0.00 O ATOM 1401 NE2 GLN A 95 4.663 10.204 6.738 1.00 0.00 N ATOM 0 H GLN A 95 0.724 6.965 6.202 1.00 0.00 H new ATOM 0 HA GLN A 95 2.711 8.269 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.040 6.923 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.249 8.640 5.178 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.763 6.957 7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.386 7.550 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.990 10.205 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.947 11.084 7.168 1.00 0.00 H new ATOM 1410 N GLU A 96 1.785 10.522 7.420 1.00 0.00 N ATOM 1411 CA GLU A 96 1.169 11.813 7.164 1.00 0.00 C ATOM 1412 C GLU A 96 1.978 12.583 6.141 1.00 0.00 C ATOM 1413 O GLU A 96 3.206 12.641 6.211 1.00 0.00 O ATOM 1414 CB GLU A 96 1.034 12.632 8.451 1.00 0.00 C ATOM 1415 CG GLU A 96 0.505 14.043 8.228 1.00 0.00 C ATOM 1416 CD GLU A 96 0.534 14.891 9.482 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -0.344 14.710 10.353 1.00 0.00 O ATOM 1418 OE2 GLU A 96 1.436 15.745 9.609 1.00 0.00 O ATOM 0 H GLU A 96 2.431 10.508 8.209 1.00 0.00 H new ATOM 0 HA GLU A 96 0.168 11.635 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.368 12.108 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.008 12.691 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.098 14.529 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.519 13.987 7.858 1.00 0.00 H new ATOM 1425 N THR A 97 1.276 13.150 5.186 1.00 0.00 N ATOM 1426 CA THR A 97 1.888 13.950 4.155 1.00 0.00 C ATOM 1427 C THR A 97 2.489 15.220 4.752 1.00 0.00 C ATOM 1428 O THR A 97 1.787 16.025 5.369 1.00 0.00 O ATOM 1429 CB THR A 97 0.841 14.308 3.092 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.324 14.837 3.736 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.454 13.078 2.287 1.00 0.00 C ATOM 0 H THR A 97 0.263 13.068 5.104 1.00 0.00 H new ATOM 0 HA THR A 97 2.690 13.376 3.690 1.00 0.00 H new ATOM 0 HB THR A 97 1.266 15.050 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.103 14.717 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.289 13.352 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.337 12.675 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.036 12.323 2.954 1.00 0.00 H new ATOM 1439 N THR A 98 3.794 15.389 4.571 1.00 0.00 N ATOM 1440 CA THR A 98 4.511 16.521 5.136 1.00 0.00 C ATOM 1441 C THR A 98 4.078 17.812 4.455 1.00 0.00 C ATOM 1442 O THR A 98 4.070 18.883 5.060 1.00 0.00 O ATOM 1443 CB THR A 98 6.026 16.340 4.955 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.383 14.985 5.251 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.806 17.280 5.864 1.00 0.00 C ATOM 0 H THR A 98 4.379 14.750 4.033 1.00 0.00 H new ATOM 0 HA THR A 98 4.278 16.575 6.200 1.00 0.00 H new ATOM 0 HB THR A 98 6.278 16.577 3.921 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.349 14.868 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.875 17.128 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.549 18.312 5.627 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.553 17.073 6.904 1.00 0.00 H new