USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 13 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.055 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 65:sc= 0.0987 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 132:sc= 0.638 USER MOD Single : A 61 CYS SG : rot 180:sc= 0.0172 USER MOD Single : A 65 GLN : amide:sc=-0.00485 X(o=-0.0049,f=0) USER MOD Single : A 71 MET CE :methyl 144:sc= 0 (180deg=-0.328) USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 78 THR OG1 : rot -76:sc= 0.33 USER MOD Single : A 81 SER OG : rot 173:sc= 1.25 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.016) USER MOD Single : A 93 SER OG : rot 21:sc= -0.33 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -19:sc= 0.426 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.328 -12.002 -1.424 1.00 0.00 N ATOM 133 CA HIS A 13 13.173 -11.012 -0.371 1.00 0.00 C ATOM 134 C HIS A 13 12.170 -9.945 -0.814 1.00 0.00 C ATOM 135 O HIS A 13 11.834 -9.855 -1.993 1.00 0.00 O ATOM 136 CB HIS A 13 14.529 -10.424 0.025 1.00 0.00 C ATOM 137 CG HIS A 13 15.199 -9.632 -1.072 1.00 0.00 C ATOM 138 ND1 HIS A 13 15.744 -10.223 -2.198 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.406 -8.290 -1.204 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.253 -9.271 -2.966 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.043 -8.074 -2.348 1.00 0.00 N ATOM 0 HA HIS A 13 12.773 -11.487 0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.394 -9.780 0.894 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.190 -11.235 0.329 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.103 -7.532 -0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 13 16.747 -9.417 -3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.328 -7.163 -2.706 1.00 0.00 H new ATOM 149 N THR A 14 11.721 -9.162 0.157 1.00 0.00 N ATOM 150 CA THR A 14 10.763 -8.105 -0.118 1.00 0.00 C ATOM 151 C THR A 14 11.218 -6.793 0.526 1.00 0.00 C ATOM 152 O THR A 14 11.716 -6.790 1.650 1.00 0.00 O ATOM 153 CB THR A 14 9.389 -8.574 0.364 1.00 0.00 C ATOM 154 OG1 THR A 14 9.678 -9.389 1.497 1.00 0.00 O ATOM 155 CG2 THR A 14 8.718 -9.532 -0.623 1.00 0.00 C ATOM 0 H THR A 14 12.003 -9.239 1.134 1.00 0.00 H new ATOM 0 HA THR A 14 10.695 -7.901 -1.187 1.00 0.00 H new ATOM 0 HB THR A 14 8.746 -7.709 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.842 -9.734 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.746 -9.834 -0.233 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.584 -9.032 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.345 -10.413 -0.758 1.00 0.00 H new ATOM 163 N GLU A 15 11.029 -5.711 -0.215 1.00 0.00 N ATOM 164 CA GLU A 15 11.413 -4.396 0.270 1.00 0.00 C ATOM 165 C GLU A 15 10.170 -3.554 0.562 1.00 0.00 C ATOM 166 O GLU A 15 9.101 -3.805 0.007 1.00 0.00 O ATOM 167 CB GLU A 15 12.332 -3.690 -0.729 1.00 0.00 C ATOM 168 CG GLU A 15 13.795 -4.066 -0.490 1.00 0.00 C ATOM 169 CD GLU A 15 14.736 -3.066 -1.164 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.689 -2.995 -2.411 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.481 -2.395 -0.418 1.00 0.00 O ATOM 0 H GLU A 15 10.615 -5.718 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 15 11.969 -4.521 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.045 -3.960 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.211 -2.610 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.996 -4.095 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.985 -5.067 -0.877 1.00 0.00 H new ATOM 178 N THR A 16 10.351 -2.571 1.432 1.00 0.00 N ATOM 179 CA THR A 16 9.257 -1.690 1.804 1.00 0.00 C ATOM 180 C THR A 16 9.562 -0.252 1.380 1.00 0.00 C ATOM 181 O THR A 16 10.715 0.177 1.410 1.00 0.00 O ATOM 182 CB THR A 16 9.018 -1.842 3.308 1.00 0.00 C ATOM 183 OG1 THR A 16 10.307 -2.143 3.835 1.00 0.00 O ATOM 184 CG2 THR A 16 8.179 -3.076 3.646 1.00 0.00 C ATOM 0 H THR A 16 11.239 -2.365 1.890 1.00 0.00 H new ATOM 0 HA THR A 16 8.338 -1.961 1.285 1.00 0.00 H new ATOM 0 HB THR A 16 8.520 -0.950 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.245 -2.256 4.806 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.039 -3.137 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.207 -3.000 3.158 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.692 -3.972 3.296 1.00 0.00 H new ATOM 192 N THR A 17 8.509 0.453 0.993 1.00 0.00 N ATOM 193 CA THR A 17 8.650 1.834 0.563 1.00 0.00 C ATOM 194 C THR A 17 7.841 2.761 1.472 1.00 0.00 C ATOM 195 O THR A 17 6.853 2.340 2.073 1.00 0.00 O ATOM 196 CB THR A 17 8.238 1.915 -0.908 1.00 0.00 C ATOM 197 OG1 THR A 17 8.308 3.305 -1.212 1.00 0.00 O ATOM 198 CG2 THR A 17 6.766 1.559 -1.125 1.00 0.00 C ATOM 0 H THR A 17 7.555 0.094 0.968 1.00 0.00 H new ATOM 0 HA THR A 17 9.684 2.170 0.646 1.00 0.00 H new ATOM 0 HB THR A 17 8.863 1.244 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.058 3.448 -2.149 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.526 1.632 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.583 0.541 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.138 2.250 -0.563 1.00 0.00 H new ATOM 206 N GLU A 18 8.289 4.005 1.544 1.00 0.00 N ATOM 207 CA GLU A 18 7.619 4.995 2.370 1.00 0.00 C ATOM 208 C GLU A 18 7.035 6.107 1.497 1.00 0.00 C ATOM 209 O GLU A 18 7.776 6.868 0.876 1.00 0.00 O ATOM 210 CB GLU A 18 8.571 5.568 3.422 1.00 0.00 C ATOM 211 CG GLU A 18 8.061 6.909 3.952 1.00 0.00 C ATOM 212 CD GLU A 18 8.898 7.382 5.143 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.252 6.513 5.968 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.164 8.602 5.200 1.00 0.00 O ATOM 0 H GLU A 18 9.108 4.351 1.044 1.00 0.00 H new ATOM 0 HA GLU A 18 6.800 4.505 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.674 4.863 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.562 5.698 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.097 7.655 3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.017 6.813 4.252 1.00 0.00 H new ATOM 221 N VAL A 19 5.711 6.167 1.476 1.00 0.00 N ATOM 222 CA VAL A 19 5.019 7.173 0.689 1.00 0.00 C ATOM 223 C VAL A 19 4.546 8.299 1.611 1.00 0.00 C ATOM 224 O VAL A 19 3.874 8.046 2.610 1.00 0.00 O ATOM 225 CB VAL A 19 3.879 6.527 -0.100 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.343 7.481 -1.170 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.324 5.202 -0.721 1.00 0.00 C ATOM 0 H VAL A 19 5.099 5.535 1.992 1.00 0.00 H new ATOM 0 HA VAL A 19 5.693 7.615 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 19 3.068 6.315 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.533 6.997 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.969 8.388 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.145 7.739 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.495 4.764 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.160 5.380 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.635 4.517 0.068 1.00 0.00 H new ATOM 237 N VAL A 20 4.915 9.517 1.243 1.00 0.00 N ATOM 238 CA VAL A 20 4.536 10.682 2.025 1.00 0.00 C ATOM 239 C VAL A 20 3.581 11.552 1.205 1.00 0.00 C ATOM 240 O VAL A 20 3.993 12.192 0.239 1.00 0.00 O ATOM 241 CB VAL A 20 5.787 11.435 2.482 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.423 12.806 3.055 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.584 10.610 3.495 1.00 0.00 C ATOM 0 H VAL A 20 5.472 9.723 0.414 1.00 0.00 H new ATOM 0 HA VAL A 20 4.006 10.380 2.929 1.00 0.00 H new ATOM 0 HB VAL A 20 6.420 11.595 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.330 13.320 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.919 13.398 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.760 12.678 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.468 11.168 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.962 10.404 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.890 9.669 3.038 1.00 0.00 H new ATOM 253 N LEU A 21 2.323 11.547 1.621 1.00 0.00 N ATOM 254 CA LEU A 21 1.306 12.328 0.938 1.00 0.00 C ATOM 255 C LEU A 21 0.907 13.516 1.814 1.00 0.00 C ATOM 256 O LEU A 21 0.839 13.396 3.037 1.00 0.00 O ATOM 257 CB LEU A 21 0.128 11.438 0.535 1.00 0.00 C ATOM 258 CG LEU A 21 0.475 10.203 -0.299 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.647 9.165 -0.234 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.813 10.592 -1.740 1.00 0.00 C ATOM 0 H LEU A 21 1.985 11.014 2.423 1.00 0.00 H new ATOM 0 HA LEU A 21 1.701 12.736 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.380 11.109 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.583 12.043 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 21 1.366 9.742 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.375 8.297 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.798 8.857 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.568 9.600 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.056 9.696 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.044 11.090 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.668 11.267 -1.743 1.00 0.00 H new ATOM 272 N THR A 22 0.654 14.638 1.156 1.00 0.00 N ATOM 273 CA THR A 22 0.263 15.847 1.860 1.00 0.00 C ATOM 274 C THR A 22 -1.234 16.107 1.684 1.00 0.00 C ATOM 275 O THR A 22 -1.681 16.471 0.598 1.00 0.00 O ATOM 276 CB THR A 22 1.142 16.993 1.354 1.00 0.00 C ATOM 277 OG1 THR A 22 2.457 16.444 1.346 1.00 0.00 O ATOM 278 CG2 THR A 22 1.228 18.150 2.352 1.00 0.00 C ATOM 0 H THR A 22 0.712 14.735 0.142 1.00 0.00 H new ATOM 0 HA THR A 22 0.419 15.747 2.934 1.00 0.00 H new ATOM 0 HB THR A 22 0.749 17.360 0.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.092 17.120 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.863 18.936 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.230 18.548 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.652 17.791 3.290 1.00 0.00 H new ATOM 286 N ALA A 23 -1.968 15.909 2.769 1.00 0.00 N ATOM 287 CA ALA A 23 -3.406 16.118 2.749 1.00 0.00 C ATOM 288 C ALA A 23 -3.719 17.407 1.986 1.00 0.00 C ATOM 289 O ALA A 23 -3.636 18.499 2.546 1.00 0.00 O ATOM 290 CB ALA A 23 -3.938 16.145 4.183 1.00 0.00 C ATOM 0 H ALA A 23 -1.594 15.606 3.668 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.906 15.299 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.017 16.302 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.716 15.196 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.461 16.956 4.733 1.00 0.00 H new ATOM 296 N ASP A 24 -4.072 17.236 0.721 1.00 0.00 N ATOM 297 CA ASP A 24 -4.398 18.372 -0.125 1.00 0.00 C ATOM 298 C ASP A 24 -5.424 19.256 0.589 1.00 0.00 C ATOM 299 O ASP A 24 -5.974 18.867 1.618 1.00 0.00 O ATOM 300 CB ASP A 24 -5.010 17.915 -1.450 1.00 0.00 C ATOM 301 CG ASP A 24 -4.260 18.377 -2.702 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.014 18.432 -2.628 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.951 18.664 -3.703 1.00 0.00 O ATOM 0 H ASP A 24 -4.140 16.328 0.261 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.477 18.920 -0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.058 16.826 -1.454 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.036 18.279 -1.504 1.00 0.00 H new ATOM 308 N PRO A 25 -5.656 20.459 -0.001 1.00 0.00 N ATOM 309 CA PRO A 25 -6.605 21.400 0.567 1.00 0.00 C ATOM 310 C PRO A 25 -8.045 20.954 0.303 1.00 0.00 C ATOM 311 O PRO A 25 -8.981 21.478 0.905 1.00 0.00 O ATOM 312 CB PRO A 25 -6.269 22.735 -0.077 1.00 0.00 C ATOM 313 CG PRO A 25 -5.458 22.406 -1.320 1.00 0.00 C ATOM 314 CD PRO A 25 -5.023 20.953 -1.220 1.00 0.00 C ATOM 0 HA PRO A 25 -6.532 21.467 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.175 23.283 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.699 23.365 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.054 22.565 -2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.590 23.061 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.344 20.383 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.938 20.868 -1.165 1.00 0.00 H new ATOM 322 N VAL A 26 -8.176 19.992 -0.597 1.00 0.00 N ATOM 323 CA VAL A 26 -9.486 19.469 -0.948 1.00 0.00 C ATOM 324 C VAL A 26 -9.453 17.941 -0.890 1.00 0.00 C ATOM 325 O VAL A 26 -10.177 17.330 -0.106 1.00 0.00 O ATOM 326 CB VAL A 26 -9.914 20.006 -2.316 1.00 0.00 C ATOM 327 CG1 VAL A 26 -11.033 19.151 -2.914 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.337 21.473 -2.220 1.00 0.00 C ATOM 0 H VAL A 26 -7.397 19.560 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.236 19.805 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.054 19.948 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.319 19.554 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.683 18.126 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.896 19.163 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.636 21.831 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.176 21.565 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.501 22.070 -1.856 1.00 0.00 H new ATOM 338 N THR A 27 -8.604 17.366 -1.730 1.00 0.00 N ATOM 339 CA THR A 27 -8.467 15.921 -1.784 1.00 0.00 C ATOM 340 C THR A 27 -7.275 15.466 -0.940 1.00 0.00 C ATOM 341 O THR A 27 -6.265 15.015 -1.478 1.00 0.00 O ATOM 342 CB THR A 27 -8.362 15.511 -3.255 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.384 16.396 -3.793 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.632 15.833 -4.045 1.00 0.00 C ATOM 0 H THR A 27 -8.004 17.876 -2.379 1.00 0.00 H new ATOM 0 HA THR A 27 -9.337 15.425 -1.354 1.00 0.00 H new ATOM 0 HB THR A 27 -8.156 14.443 -3.320 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.518 16.225 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.504 15.522 -5.082 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.477 15.301 -3.608 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.821 16.906 -4.009 1.00 0.00 H new ATOM 352 N GLY A 28 -7.431 15.602 0.369 1.00 0.00 N ATOM 353 CA GLY A 28 -6.380 15.210 1.292 1.00 0.00 C ATOM 354 C GLY A 28 -5.450 14.175 0.658 1.00 0.00 C ATOM 355 O GLY A 28 -4.409 14.527 0.105 1.00 0.00 O ATOM 0 H GLY A 28 -8.269 15.978 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.805 16.088 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.823 14.799 2.199 1.00 0.00 H new ATOM 359 N PHE A 29 -5.859 12.919 0.759 1.00 0.00 N ATOM 360 CA PHE A 29 -5.075 11.830 0.202 1.00 0.00 C ATOM 361 C PHE A 29 -5.838 11.122 -0.920 1.00 0.00 C ATOM 362 O PHE A 29 -5.231 10.552 -1.825 1.00 0.00 O ATOM 363 CB PHE A 29 -4.821 10.835 1.336 1.00 0.00 C ATOM 364 CG PHE A 29 -4.418 11.489 2.659 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.320 12.291 2.715 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.157 11.270 3.779 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.946 12.898 3.942 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.783 11.877 5.007 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.686 12.679 5.063 1.00 0.00 C ATOM 0 H PHE A 29 -6.723 12.631 1.218 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.146 12.217 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.722 10.243 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.036 10.144 1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.733 12.466 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.029 10.634 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.074 13.534 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.370 11.702 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.402 13.142 5.997 1.00 0.00 H new ATOM 379 N GLY A 30 -7.158 11.182 -0.823 1.00 0.00 N ATOM 380 CA GLY A 30 -8.011 10.554 -1.818 1.00 0.00 C ATOM 381 C GLY A 30 -7.560 9.120 -2.100 1.00 0.00 C ATOM 382 O GLY A 30 -7.168 8.798 -3.221 1.00 0.00 O ATOM 0 H GLY A 30 -7.658 11.656 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.043 10.552 -1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.988 11.134 -2.740 1.00 0.00 H new ATOM 386 N ILE A 31 -7.629 8.297 -1.064 1.00 0.00 N ATOM 387 CA ILE A 31 -7.233 6.904 -1.187 1.00 0.00 C ATOM 388 C ILE A 31 -8.320 6.014 -0.582 1.00 0.00 C ATOM 389 O ILE A 31 -8.959 6.389 0.400 1.00 0.00 O ATOM 390 CB ILE A 31 -5.848 6.686 -0.575 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.862 7.754 -1.052 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.340 5.270 -0.858 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.422 7.362 -0.715 1.00 0.00 C ATOM 0 H ILE A 31 -7.953 8.568 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.140 6.625 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.934 6.788 0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.963 7.892 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.101 8.709 -0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.354 5.141 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.030 4.543 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.274 5.116 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.742 8.139 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.319 7.249 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.178 6.419 -1.204 1.00 0.00 H new ATOM 405 N GLN A 32 -8.496 4.852 -1.194 1.00 0.00 N ATOM 406 CA GLN A 32 -9.495 3.905 -0.728 1.00 0.00 C ATOM 407 C GLN A 32 -8.852 2.542 -0.462 1.00 0.00 C ATOM 408 O GLN A 32 -7.928 2.140 -1.167 1.00 0.00 O ATOM 409 CB GLN A 32 -10.645 3.783 -1.730 1.00 0.00 C ATOM 410 CG GLN A 32 -11.772 4.761 -1.394 1.00 0.00 C ATOM 411 CD GLN A 32 -12.762 4.139 -0.407 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.689 4.337 0.794 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.690 3.377 -0.980 1.00 0.00 N ATOM 0 H GLN A 32 -7.964 4.545 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.911 4.277 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.277 3.979 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.030 2.763 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.352 5.672 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.294 5.047 -2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.694 3.253 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.397 2.917 -0.407 1.00 0.00 H new ATOM 422 N LEU A 33 -9.366 1.869 0.557 1.00 0.00 N ATOM 423 CA LEU A 33 -8.853 0.561 0.924 1.00 0.00 C ATOM 424 C LEU A 33 -9.961 -0.481 0.758 1.00 0.00 C ATOM 425 O LEU A 33 -11.138 -0.133 0.670 1.00 0.00 O ATOM 426 CB LEU A 33 -8.249 0.597 2.329 1.00 0.00 C ATOM 427 CG LEU A 33 -7.206 1.687 2.583 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.414 2.337 3.953 1.00 0.00 C ATOM 429 CD2 LEU A 33 -5.788 1.138 2.418 1.00 0.00 C ATOM 0 H LEU A 33 -10.133 2.205 1.140 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.039 0.271 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.059 0.722 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.790 -0.371 2.531 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.338 2.467 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.659 3.108 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.406 2.786 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.325 1.580 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.066 1.933 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.627 0.328 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.659 0.761 1.403 1.00 0.00 H new ATOM 441 N GLN A 34 -9.546 -1.739 0.721 1.00 0.00 N ATOM 442 CA GLN A 34 -10.489 -2.834 0.567 1.00 0.00 C ATOM 443 C GLN A 34 -10.334 -3.833 1.715 1.00 0.00 C ATOM 444 O GLN A 34 -9.221 -4.243 2.041 1.00 0.00 O ATOM 445 CB GLN A 34 -10.312 -3.524 -0.787 1.00 0.00 C ATOM 446 CG GLN A 34 -8.898 -4.090 -0.933 1.00 0.00 C ATOM 447 CD GLN A 34 -8.937 -5.554 -1.377 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.202 -6.458 -0.602 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.657 -5.736 -2.665 1.00 0.00 N ATOM 0 H GLN A 34 -8.570 -2.024 0.795 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.499 -2.425 0.600 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.041 -4.328 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.508 -2.813 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.340 -3.500 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.370 -4.008 0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.444 -4.935 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.656 -6.677 -3.059 1.00 0.00 H new ATOM 620 N PRO A 47 -4.529 -4.902 3.745 1.00 0.00 N ATOM 621 CA PRO A 47 -5.329 -3.951 2.992 1.00 0.00 C ATOM 622 C PRO A 47 -4.633 -3.559 1.687 1.00 0.00 C ATOM 623 O PRO A 47 -3.405 -3.565 1.609 1.00 0.00 O ATOM 624 CB PRO A 47 -5.532 -2.775 3.933 1.00 0.00 C ATOM 625 CG PRO A 47 -4.457 -2.905 5.000 1.00 0.00 C ATOM 626 CD PRO A 47 -3.866 -4.302 4.899 1.00 0.00 C ATOM 0 HA PRO A 47 -6.288 -4.364 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.441 -1.828 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.527 -2.797 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.683 -2.152 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.881 -2.741 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.785 -4.266 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.052 -4.877 5.806 1.00 0.00 H new ATOM 634 N LEU A 48 -5.446 -3.228 0.695 1.00 0.00 N ATOM 635 CA LEU A 48 -4.924 -2.835 -0.602 1.00 0.00 C ATOM 636 C LEU A 48 -5.693 -1.613 -1.108 1.00 0.00 C ATOM 637 O LEU A 48 -6.920 -1.567 -1.020 1.00 0.00 O ATOM 638 CB LEU A 48 -4.945 -4.019 -1.570 1.00 0.00 C ATOM 639 CG LEU A 48 -4.359 -5.329 -1.040 1.00 0.00 C ATOM 640 CD1 LEU A 48 -4.838 -6.520 -1.872 1.00 0.00 C ATOM 641 CD2 LEU A 48 -2.832 -5.257 -0.968 1.00 0.00 C ATOM 0 H LEU A 48 -6.464 -3.224 0.764 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.878 -2.541 -0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.978 -4.200 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.398 -3.737 -2.470 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.723 -5.479 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.407 -7.439 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.925 -6.581 -1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.523 -6.390 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.441 -6.201 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.429 -5.072 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.537 -4.447 -0.301 1.00 0.00 H new ATOM 653 N ILE A 49 -4.942 -0.653 -1.626 1.00 0.00 N ATOM 654 CA ILE A 49 -5.538 0.566 -2.146 1.00 0.00 C ATOM 655 C ILE A 49 -6.598 0.206 -3.189 1.00 0.00 C ATOM 656 O ILE A 49 -6.272 -0.052 -4.347 1.00 0.00 O ATOM 657 CB ILE A 49 -4.455 1.511 -2.670 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.654 2.120 -1.518 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.058 2.585 -3.579 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.661 3.165 -2.032 1.00 0.00 C ATOM 0 H ILE A 49 -3.925 -0.694 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.046 1.111 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.758 0.930 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.334 2.581 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.117 1.333 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.267 3.244 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.548 2.109 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.789 3.168 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.105 3.582 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.967 2.696 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.203 3.963 -2.540 1.00 0.00 H new ATOM 672 N SER A 50 -7.845 0.199 -2.741 1.00 0.00 N ATOM 673 CA SER A 50 -8.954 -0.126 -3.622 1.00 0.00 C ATOM 674 C SER A 50 -8.983 0.842 -4.806 1.00 0.00 C ATOM 675 O SER A 50 -8.920 0.419 -5.960 1.00 0.00 O ATOM 676 CB SER A 50 -10.286 -0.083 -2.869 1.00 0.00 C ATOM 677 OG SER A 50 -11.401 -0.159 -3.753 1.00 0.00 O ATOM 0 H SER A 50 -8.112 0.413 -1.780 1.00 0.00 H new ATOM 0 HA SER A 50 -8.810 -1.140 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.328 -0.910 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.345 0.838 -2.289 1.00 0.00 H new ATOM 0 HG SER A 50 -12.232 -0.130 -3.235 1.00 0.00 H new ATOM 683 N TYR A 51 -9.078 2.123 -4.481 1.00 0.00 N ATOM 684 CA TYR A 51 -9.116 3.154 -5.504 1.00 0.00 C ATOM 685 C TYR A 51 -8.242 4.347 -5.111 1.00 0.00 C ATOM 686 O TYR A 51 -7.926 4.530 -3.937 1.00 0.00 O ATOM 687 CB TYR A 51 -10.574 3.610 -5.589 1.00 0.00 C ATOM 688 CG TYR A 51 -10.832 4.672 -6.660 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.843 4.317 -7.994 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.054 5.983 -6.293 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.086 5.316 -9.002 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.297 6.982 -7.301 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.301 6.599 -8.606 1.00 0.00 C ATOM 694 OH TYR A 51 -11.531 7.543 -9.559 1.00 0.00 O ATOM 0 H TYR A 51 -9.130 2.470 -3.523 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.743 2.768 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.204 2.744 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.878 4.005 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.669 3.291 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.046 6.260 -5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.097 5.052 -10.049 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.472 8.012 -7.027 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.669 8.414 -9.131 1.00 0.00 H new ATOM 704 N ILE A 52 -7.878 5.129 -6.117 1.00 0.00 N ATOM 705 CA ILE A 52 -7.047 6.300 -5.892 1.00 0.00 C ATOM 706 C ILE A 52 -7.704 7.519 -6.543 1.00 0.00 C ATOM 707 O ILE A 52 -7.743 7.628 -7.767 1.00 0.00 O ATOM 708 CB ILE A 52 -5.617 6.043 -6.372 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.036 4.788 -5.717 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.733 7.270 -6.144 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.743 4.356 -6.411 1.00 0.00 C ATOM 0 H ILE A 52 -8.143 4.975 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.968 6.511 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.645 5.862 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.840 4.982 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.765 3.979 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.722 7.060 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.139 8.118 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.707 7.507 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.351 3.462 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.948 4.140 -7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.008 5.158 -6.343 1.00 0.00 H new ATOM 723 N GLU A 53 -8.205 8.405 -5.694 1.00 0.00 N ATOM 724 CA GLU A 53 -8.858 9.612 -6.171 1.00 0.00 C ATOM 725 C GLU A 53 -7.975 10.323 -7.197 1.00 0.00 C ATOM 726 O GLU A 53 -6.749 10.247 -7.126 1.00 0.00 O ATOM 727 CB GLU A 53 -9.207 10.543 -5.008 1.00 0.00 C ATOM 728 CG GLU A 53 -10.674 10.971 -5.070 1.00 0.00 C ATOM 729 CD GLU A 53 -10.824 12.460 -4.751 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.912 12.777 -3.545 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.848 13.249 -5.721 1.00 0.00 O ATOM 0 H GLU A 53 -8.172 8.311 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.791 9.329 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.011 10.038 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.566 11.424 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.075 10.766 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.258 10.383 -4.362 1.00 0.00 H new ATOM 738 N ALA A 54 -8.632 11.000 -8.128 1.00 0.00 N ATOM 739 CA ALA A 54 -7.921 11.725 -9.168 1.00 0.00 C ATOM 740 C ALA A 54 -7.578 13.127 -8.662 1.00 0.00 C ATOM 741 O ALA A 54 -8.196 13.620 -7.720 1.00 0.00 O ATOM 742 CB ALA A 54 -8.770 11.756 -10.440 1.00 0.00 C ATOM 0 H ALA A 54 -9.649 11.062 -8.184 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.984 11.224 -9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.237 12.300 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.962 10.736 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.717 12.254 -10.233 1.00 0.00 H new ATOM 748 N ASP A 55 -6.593 13.731 -9.310 1.00 0.00 N ATOM 749 CA ASP A 55 -6.160 15.067 -8.938 1.00 0.00 C ATOM 750 C ASP A 55 -5.757 15.075 -7.462 1.00 0.00 C ATOM 751 O ASP A 55 -5.690 16.134 -6.839 1.00 0.00 O ATOM 752 CB ASP A 55 -7.287 16.084 -9.126 1.00 0.00 C ATOM 753 CG ASP A 55 -6.839 17.462 -9.617 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.620 17.615 -9.846 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.727 18.333 -9.750 1.00 0.00 O ATOM 0 H ASP A 55 -6.082 13.319 -10.091 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.319 15.339 -9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.007 15.678 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.809 16.205 -8.177 1.00 0.00 H new ATOM 760 N SER A 56 -5.500 13.883 -6.945 1.00 0.00 N ATOM 761 CA SER A 56 -5.106 13.739 -5.554 1.00 0.00 C ATOM 762 C SER A 56 -3.587 13.593 -5.453 1.00 0.00 C ATOM 763 O SER A 56 -2.914 13.357 -6.455 1.00 0.00 O ATOM 764 CB SER A 56 -5.799 12.538 -4.906 1.00 0.00 C ATOM 765 OG SER A 56 -4.903 11.449 -4.705 1.00 0.00 O ATOM 0 H SER A 56 -5.557 13.007 -7.465 1.00 0.00 H new ATOM 0 HA SER A 56 -5.415 14.636 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.225 12.838 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.627 12.214 -5.536 1.00 0.00 H new ATOM 0 HG SER A 56 -5.001 11.109 -3.791 1.00 0.00 H new ATOM 771 N PRO A 57 -3.077 13.743 -4.201 1.00 0.00 N ATOM 772 CA PRO A 57 -1.649 13.630 -3.956 1.00 0.00 C ATOM 773 C PRO A 57 -1.199 12.169 -4.001 1.00 0.00 C ATOM 774 O PRO A 57 -0.025 11.884 -4.234 1.00 0.00 O ATOM 775 CB PRO A 57 -1.431 14.277 -2.598 1.00 0.00 C ATOM 776 CG PRO A 57 -2.795 14.310 -1.928 1.00 0.00 C ATOM 777 CD PRO A 57 -3.843 14.023 -2.990 1.00 0.00 C ATOM 0 HA PRO A 57 -1.050 14.126 -4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.718 13.706 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.024 15.283 -2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.847 13.569 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.972 15.283 -1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.467 13.174 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.508 14.875 -3.130 1.00 0.00 H new ATOM 785 N ALA A 58 -2.155 11.281 -3.775 1.00 0.00 N ATOM 786 CA ALA A 58 -1.872 9.856 -3.787 1.00 0.00 C ATOM 787 C ALA A 58 -1.655 9.396 -5.230 1.00 0.00 C ATOM 788 O ALA A 58 -0.936 8.428 -5.475 1.00 0.00 O ATOM 789 CB ALA A 58 -3.013 9.102 -3.100 1.00 0.00 C ATOM 0 H ALA A 58 -3.128 11.521 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.959 9.642 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.800 8.033 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.107 9.444 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.946 9.291 -3.631 1.00 0.00 H new ATOM 795 N GLU A 59 -2.290 10.110 -6.147 1.00 0.00 N ATOM 796 CA GLU A 59 -2.175 9.787 -7.559 1.00 0.00 C ATOM 797 C GLU A 59 -1.101 10.656 -8.217 1.00 0.00 C ATOM 798 O GLU A 59 -0.691 10.393 -9.346 1.00 0.00 O ATOM 799 CB GLU A 59 -3.521 9.949 -8.270 1.00 0.00 C ATOM 800 CG GLU A 59 -3.491 9.299 -9.654 1.00 0.00 C ATOM 801 CD GLU A 59 -3.748 7.794 -9.559 1.00 0.00 C ATOM 802 OE1 GLU A 59 -4.901 7.434 -9.236 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.786 7.037 -9.813 1.00 0.00 O ATOM 0 H GLU A 59 -2.886 10.911 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.876 8.743 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.310 9.497 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.760 11.008 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.244 9.760 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.523 9.477 -10.122 1.00 0.00 H new ATOM 810 N ARG A 60 -0.675 11.672 -7.481 1.00 0.00 N ATOM 811 CA ARG A 60 0.345 12.580 -7.979 1.00 0.00 C ATOM 812 C ARG A 60 1.663 11.834 -8.190 1.00 0.00 C ATOM 813 O ARG A 60 2.172 11.769 -9.308 1.00 0.00 O ATOM 814 CB ARG A 60 0.572 13.739 -7.006 1.00 0.00 C ATOM 815 CG ARG A 60 -0.134 15.008 -7.490 1.00 0.00 C ATOM 816 CD ARG A 60 0.762 16.235 -7.312 1.00 0.00 C ATOM 817 NE ARG A 60 -0.044 17.389 -6.856 1.00 0.00 N ATOM 818 CZ ARG A 60 -1.008 17.968 -7.585 1.00 0.00 C ATOM 819 NH1 ARG A 60 -1.291 17.504 -8.810 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.688 19.010 -7.089 1.00 0.00 N ATOM 0 H ARG A 60 -1.017 11.887 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.004 12.982 -8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.201 13.467 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.640 13.929 -6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.404 14.900 -8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.062 15.147 -6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.547 16.020 -6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.255 16.475 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 60 0.146 17.768 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.773 16.710 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.025 17.944 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.472 19.363 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.422 19.451 -7.644 1.00 0.00 H new ATOM 834 N CYS A 61 2.179 11.289 -7.098 1.00 0.00 N ATOM 835 CA CYS A 61 3.429 10.550 -7.149 1.00 0.00 C ATOM 836 C CYS A 61 3.249 9.369 -8.105 1.00 0.00 C ATOM 837 O CYS A 61 4.126 9.086 -8.920 1.00 0.00 O ATOM 838 CB CYS A 61 3.875 10.096 -5.758 1.00 0.00 C ATOM 839 SG CYS A 61 3.886 11.520 -4.609 1.00 0.00 S ATOM 0 H CYS A 61 1.754 11.345 -6.172 1.00 0.00 H new ATOM 0 HA CYS A 61 4.223 11.198 -7.519 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.203 9.323 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.870 9.654 -5.812 1.00 0.00 H new ATOM 0 HG CYS A 61 4.264 11.123 -3.430 1.00 0.00 H new ATOM 845 N GLY A 62 2.107 8.710 -7.973 1.00 0.00 N ATOM 846 CA GLY A 62 1.802 7.566 -8.814 1.00 0.00 C ATOM 847 C GLY A 62 2.352 6.275 -8.205 1.00 0.00 C ATOM 848 O GLY A 62 1.877 5.184 -8.518 1.00 0.00 O ATOM 0 H GLY A 62 1.382 8.947 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.723 7.481 -8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.229 7.715 -9.806 1.00 0.00 H new ATOM 852 N VAL A 63 3.348 6.441 -7.346 1.00 0.00 N ATOM 853 CA VAL A 63 3.968 5.302 -6.691 1.00 0.00 C ATOM 854 C VAL A 63 2.879 4.397 -6.111 1.00 0.00 C ATOM 855 O VAL A 63 3.067 3.187 -5.999 1.00 0.00 O ATOM 856 CB VAL A 63 4.968 5.785 -5.638 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.143 6.515 -6.292 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.281 6.672 -4.597 1.00 0.00 C ATOM 0 H VAL A 63 3.740 7.347 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 63 4.534 4.709 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 63 5.363 4.909 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.839 6.848 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.656 5.839 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.773 7.379 -6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.013 7.002 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.845 7.541 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.495 6.105 -4.098 1.00 0.00 H new ATOM 868 N LEU A 64 1.764 5.019 -5.757 1.00 0.00 N ATOM 869 CA LEU A 64 0.645 4.285 -5.191 1.00 0.00 C ATOM 870 C LEU A 64 -0.237 3.756 -6.324 1.00 0.00 C ATOM 871 O LEU A 64 -1.047 4.494 -6.881 1.00 0.00 O ATOM 872 CB LEU A 64 -0.108 5.152 -4.180 1.00 0.00 C ATOM 873 CG LEU A 64 0.727 5.719 -3.030 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.049 6.794 -2.267 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.219 4.603 -2.106 1.00 0.00 C ATOM 0 H LEU A 64 1.612 6.023 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 64 1.001 3.420 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.566 5.984 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.919 4.560 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 64 1.610 6.198 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.567 7.180 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.307 7.607 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.961 6.362 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.810 5.034 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.363 4.073 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.835 3.906 -2.674 1.00 0.00 H new ATOM 887 N GLN A 65 -0.049 2.480 -6.630 1.00 0.00 N ATOM 888 CA GLN A 65 -0.817 1.843 -7.686 1.00 0.00 C ATOM 889 C GLN A 65 -2.045 1.143 -7.101 1.00 0.00 C ATOM 890 O GLN A 65 -1.993 0.616 -5.991 1.00 0.00 O ATOM 891 CB GLN A 65 0.049 0.861 -8.478 1.00 0.00 C ATOM 892 CG GLN A 65 1.161 1.594 -9.230 1.00 0.00 C ATOM 893 CD GLN A 65 1.437 0.933 -10.582 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.453 0.292 -10.794 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.477 1.123 -11.483 1.00 0.00 N ATOM 0 H GLN A 65 0.624 1.871 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.158 2.614 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.486 0.127 -7.800 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.572 0.311 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.877 2.635 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.071 1.596 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.349 1.670 -11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.567 0.721 -12.416 1.00 0.00 H new ATOM 904 N ILE A 66 -3.121 1.160 -7.874 1.00 0.00 N ATOM 905 CA ILE A 66 -4.360 0.534 -7.446 1.00 0.00 C ATOM 906 C ILE A 66 -4.071 -0.896 -6.984 1.00 0.00 C ATOM 907 O ILE A 66 -3.668 -1.741 -7.782 1.00 0.00 O ATOM 908 CB ILE A 66 -5.414 0.621 -8.552 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.787 2.077 -8.840 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.640 -0.228 -8.208 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.938 2.536 -7.942 1.00 0.00 C ATOM 0 H ILE A 66 -3.160 1.598 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.781 1.066 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.985 0.212 -9.467 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.919 2.717 -8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.073 2.183 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.374 -0.149 -9.010 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.340 -1.270 -8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.080 0.129 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.183 3.574 -8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.812 1.909 -8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.640 2.452 -6.897 1.00 0.00 H new ATOM 923 N GLY A 67 -4.287 -1.122 -5.696 1.00 0.00 N ATOM 924 CA GLY A 67 -4.054 -2.435 -5.118 1.00 0.00 C ATOM 925 C GLY A 67 -2.666 -2.514 -4.478 1.00 0.00 C ATOM 926 O GLY A 67 -2.059 -3.583 -4.434 1.00 0.00 O ATOM 0 H GLY A 67 -4.621 -0.419 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.817 -2.647 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.146 -3.198 -5.891 1.00 0.00 H new ATOM 930 N ASP A 68 -2.205 -1.369 -3.998 1.00 0.00 N ATOM 931 CA ASP A 68 -0.901 -1.295 -3.363 1.00 0.00 C ATOM 932 C ASP A 68 -0.815 -2.352 -2.260 1.00 0.00 C ATOM 933 O ASP A 68 -1.753 -3.122 -2.059 1.00 0.00 O ATOM 934 CB ASP A 68 -0.678 0.076 -2.721 1.00 0.00 C ATOM 935 CG ASP A 68 -0.270 1.186 -3.692 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.201 0.831 -4.794 1.00 0.00 O ATOM 937 OD2 ASP A 68 -0.438 2.364 -3.310 1.00 0.00 O ATOM 0 H ASP A 68 -2.712 -0.485 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.143 -1.463 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.595 0.376 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.093 -0.019 -1.956 1.00 0.00 H new ATOM 942 N ARG A 69 0.319 -2.356 -1.575 1.00 0.00 N ATOM 943 CA ARG A 69 0.540 -3.306 -0.498 1.00 0.00 C ATOM 944 C ARG A 69 0.741 -2.569 0.827 1.00 0.00 C ATOM 945 O ARG A 69 1.742 -2.778 1.512 1.00 0.00 O ATOM 946 CB ARG A 69 1.763 -4.181 -0.778 1.00 0.00 C ATOM 947 CG ARG A 69 1.404 -5.346 -1.702 1.00 0.00 C ATOM 948 CD ARG A 69 1.277 -4.877 -3.153 1.00 0.00 C ATOM 949 NE ARG A 69 2.612 -4.836 -3.790 1.00 0.00 N ATOM 950 CZ ARG A 69 3.298 -3.709 -4.026 1.00 0.00 C ATOM 951 NH1 ARG A 69 2.779 -2.524 -3.680 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.503 -3.768 -4.609 1.00 0.00 N ATOM 0 H ARG A 69 1.095 -1.716 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.341 -3.944 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.548 -3.579 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.162 -4.566 0.161 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.169 -6.119 -1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.465 -5.796 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.622 -5.550 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.819 -3.889 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 69 3.037 -5.721 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.861 -2.479 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.301 -1.666 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.898 -4.671 -4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.025 -2.910 -4.789 1.00 0.00 H new ATOM 966 N VAL A 70 -0.225 -1.722 1.150 1.00 0.00 N ATOM 967 CA VAL A 70 -0.166 -0.952 2.381 1.00 0.00 C ATOM 968 C VAL A 70 0.000 -1.906 3.565 1.00 0.00 C ATOM 969 O VAL A 70 -0.985 -2.391 4.120 1.00 0.00 O ATOM 970 CB VAL A 70 -1.404 -0.061 2.501 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.684 -0.865 2.264 1.00 0.00 C ATOM 972 CG2 VAL A 70 -1.442 0.645 3.858 1.00 0.00 C ATOM 0 H VAL A 70 -1.054 -1.552 0.580 1.00 0.00 H new ATOM 0 HA VAL A 70 0.697 -0.287 2.375 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.342 0.704 1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.549 -0.208 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.662 -1.298 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.755 -1.662 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.332 1.272 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.468 -0.099 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.553 1.266 3.970 1.00 0.00 H new ATOM 982 N MET A 71 1.255 -2.146 3.919 1.00 0.00 N ATOM 983 CA MET A 71 1.563 -3.033 5.028 1.00 0.00 C ATOM 984 C MET A 71 1.249 -2.366 6.368 1.00 0.00 C ATOM 985 O MET A 71 0.849 -3.034 7.320 1.00 0.00 O ATOM 986 CB MET A 71 3.044 -3.413 4.981 1.00 0.00 C ATOM 987 CG MET A 71 3.447 -3.879 3.581 1.00 0.00 C ATOM 988 SD MET A 71 2.298 -5.112 2.993 1.00 0.00 S ATOM 989 CE MET A 71 3.020 -6.577 3.715 1.00 0.00 C ATOM 0 H MET A 71 2.070 -1.742 3.457 1.00 0.00 H new ATOM 0 HA MET A 71 0.946 -3.927 4.936 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.652 -2.556 5.272 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.243 -4.205 5.703 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.464 -3.030 2.897 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.456 -4.291 3.602 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.228 -7.261 4.020 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.660 -7.067 2.981 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.614 -6.299 4.585 1.00 0.00 H new ATOM 999 N ALA A 72 1.441 -1.055 6.399 1.00 0.00 N ATOM 1000 CA ALA A 72 1.183 -0.289 7.607 1.00 0.00 C ATOM 1001 C ALA A 72 0.698 1.111 7.224 1.00 0.00 C ATOM 1002 O ALA A 72 0.616 1.441 6.042 1.00 0.00 O ATOM 1003 CB ALA A 72 2.447 -0.253 8.468 1.00 0.00 C ATOM 0 H ALA A 72 1.772 -0.504 5.607 1.00 0.00 H new ATOM 0 HA ALA A 72 0.398 -0.759 8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.254 0.321 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.733 -1.270 8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.256 0.215 7.907 1.00 0.00 H new ATOM 1009 N ILE A 73 0.390 1.895 8.246 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.085 3.252 8.032 1.00 0.00 C ATOM 1011 C ILE A 73 0.501 4.168 9.108 1.00 0.00 C ATOM 1012 O ILE A 73 -0.023 4.242 10.218 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.613 3.280 7.965 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.125 2.474 6.769 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.134 4.719 7.952 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.643 2.300 6.835 1.00 0.00 C ATOM 0 H ILE A 73 0.460 1.617 9.225 1.00 0.00 H new ATOM 0 HA ILE A 73 0.260 3.630 7.069 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.003 2.804 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.853 2.979 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.644 1.496 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.223 4.711 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.814 5.230 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.736 5.242 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.981 1.724 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.909 1.773 7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.122 3.279 6.827 1.00 0.00 H new ATOM 1028 N ASN A 74 1.580 4.844 8.741 1.00 0.00 N ATOM 1029 CA ASN A 74 2.243 5.752 9.661 1.00 0.00 C ATOM 1030 C ASN A 74 2.969 4.942 10.737 1.00 0.00 C ATOM 1031 O ASN A 74 3.457 5.502 11.717 1.00 0.00 O ATOM 1032 CB ASN A 74 1.232 6.665 10.358 1.00 0.00 C ATOM 1033 CG ASN A 74 1.525 8.136 10.061 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.675 8.695 9.205 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.461 8.726 10.576 1.00 0.00 N flip ATOM 0 H ASN A 74 2.011 4.781 7.819 1.00 0.00 H new ATOM 0 HA ASN A 74 2.943 6.360 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.224 6.417 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.264 6.494 11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.077 8.237 11.226 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.628 9.708 10.357 1.00 0.00 H new ATOM 1042 N GLY A 75 3.018 3.637 10.517 1.00 0.00 N ATOM 1043 CA GLY A 75 3.677 2.744 11.455 1.00 0.00 C ATOM 1044 C GLY A 75 2.671 1.789 12.101 1.00 0.00 C ATOM 1045 O GLY A 75 3.060 0.813 12.742 1.00 0.00 O ATOM 0 H GLY A 75 2.612 3.176 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.447 2.172 10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.178 3.327 12.227 1.00 0.00 H new ATOM 1049 N ILE A 76 1.398 2.102 11.910 1.00 0.00 N ATOM 1050 CA ILE A 76 0.334 1.284 12.466 1.00 0.00 C ATOM 1051 C ILE A 76 0.252 -0.033 11.692 1.00 0.00 C ATOM 1052 O ILE A 76 0.252 -0.036 10.462 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.982 2.064 12.494 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.957 3.144 13.577 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.175 1.119 12.654 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.207 2.540 14.960 1.00 0.00 C ATOM 0 H ILE A 76 1.079 2.912 11.378 1.00 0.00 H new ATOM 0 HA ILE A 76 0.550 1.031 13.504 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.099 2.572 11.537 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.008 3.652 13.567 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.716 3.897 13.362 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.098 1.698 12.671 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.200 0.420 11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.077 0.564 13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.184 3.329 15.711 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.183 2.054 14.974 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.433 1.805 15.182 1.00 0.00 H new ATOM 1068 N PRO A 77 0.184 -1.150 12.464 1.00 0.00 N ATOM 1069 CA PRO A 77 0.102 -2.471 11.864 1.00 0.00 C ATOM 1070 C PRO A 77 -1.297 -2.732 11.302 1.00 0.00 C ATOM 1071 O PRO A 77 -2.216 -3.070 12.046 1.00 0.00 O ATOM 1072 CB PRO A 77 0.483 -3.433 12.978 1.00 0.00 C ATOM 1073 CG PRO A 77 0.313 -2.659 14.274 1.00 0.00 C ATOM 1074 CD PRO A 77 0.182 -1.186 13.924 1.00 0.00 C ATOM 0 HA PRO A 77 0.769 -2.587 11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.154 -4.317 12.965 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.510 -3.778 12.861 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.571 -3.004 14.811 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.168 -2.821 14.930 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.737 -0.763 14.329 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.008 -0.606 14.336 1.00 0.00 H new ATOM 1082 N THR A 78 -1.414 -2.566 9.993 1.00 0.00 N ATOM 1083 CA THR A 78 -2.685 -2.779 9.322 1.00 0.00 C ATOM 1084 C THR A 78 -3.088 -4.253 9.400 1.00 0.00 C ATOM 1085 O THR A 78 -3.015 -4.973 8.405 1.00 0.00 O ATOM 1086 CB THR A 78 -2.557 -2.259 7.889 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.542 -3.076 7.313 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.975 -0.845 7.829 1.00 0.00 C ATOM 0 H THR A 78 -0.649 -2.286 9.379 1.00 0.00 H new ATOM 0 HA THR A 78 -3.488 -2.228 9.812 1.00 0.00 H new ATOM 0 HB THR A 78 -3.536 -2.269 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.665 -2.788 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.905 -0.524 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.623 -0.161 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.981 -0.841 8.277 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.505 -4.658 10.591 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.920 -6.033 10.811 1.00 0.00 C ATOM 1098 C GLU A 79 -4.551 -6.181 12.197 1.00 0.00 C ATOM 1099 O GLU A 79 -5.595 -6.814 12.342 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.742 -6.995 10.639 1.00 0.00 C ATOM 1101 CG GLU A 79 -3.197 -8.449 10.784 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.333 -9.193 11.805 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -2.191 -8.659 12.925 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -1.835 -10.280 11.440 1.00 0.00 O ATOM 0 H GLU A 79 -3.564 -4.058 11.414 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.669 -6.291 10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.288 -6.848 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.976 -6.774 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.241 -8.478 11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.138 -8.951 9.818 1.00 0.00 H new ATOM 1111 N ASP A 80 -3.891 -5.586 13.179 1.00 0.00 N ATOM 1112 CA ASP A 80 -4.375 -5.644 14.548 1.00 0.00 C ATOM 1113 C ASP A 80 -5.749 -4.978 14.628 1.00 0.00 C ATOM 1114 O ASP A 80 -6.677 -5.529 15.218 1.00 0.00 O ATOM 1115 CB ASP A 80 -3.433 -4.900 15.497 1.00 0.00 C ATOM 1116 CG ASP A 80 -3.177 -5.599 16.834 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -3.892 -6.589 17.103 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -2.272 -5.128 17.557 1.00 0.00 O ATOM 0 H ASP A 80 -3.025 -5.061 13.054 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.430 -6.692 14.842 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.478 -4.751 14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.847 -3.911 15.695 1.00 0.00 H new ATOM 1123 N SER A 81 -5.837 -3.802 14.024 1.00 0.00 N ATOM 1124 CA SER A 81 -7.083 -3.054 14.019 1.00 0.00 C ATOM 1125 C SER A 81 -8.030 -3.623 12.961 1.00 0.00 C ATOM 1126 O SER A 81 -7.904 -4.782 12.569 1.00 0.00 O ATOM 1127 CB SER A 81 -6.832 -1.567 13.762 1.00 0.00 C ATOM 1128 OG SER A 81 -5.732 -1.072 14.521 1.00 0.00 O ATOM 0 H SER A 81 -5.066 -3.349 13.534 1.00 0.00 H new ATOM 0 HA SER A 81 -7.545 -3.152 15.002 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.640 -1.410 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.729 -1.000 14.011 1.00 0.00 H new ATOM 0 HG SER A 81 -5.532 -0.153 14.246 1.00 0.00 H new ATOM 1134 N THR A 82 -8.958 -2.781 12.529 1.00 0.00 N ATOM 1135 CA THR A 82 -9.926 -3.186 11.524 1.00 0.00 C ATOM 1136 C THR A 82 -9.799 -2.308 10.277 1.00 0.00 C ATOM 1137 O THR A 82 -9.239 -1.215 10.338 1.00 0.00 O ATOM 1138 CB THR A 82 -11.316 -3.139 12.161 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.624 -1.749 12.222 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.304 -3.582 13.625 1.00 0.00 C ATOM 0 H THR A 82 -9.060 -1.820 12.857 1.00 0.00 H new ATOM 0 HA THR A 82 -9.742 -4.206 11.185 1.00 0.00 H new ATOM 0 HB THR A 82 -11.996 -3.775 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.511 -1.628 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.315 -3.530 14.029 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.939 -4.607 13.692 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.650 -2.925 14.198 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.329 -2.820 9.176 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.282 -2.096 7.917 1.00 0.00 C ATOM 1150 C PHE A 83 -10.726 -0.643 8.102 1.00 0.00 C ATOM 1151 O PHE A 83 -10.307 0.238 7.354 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.252 -2.795 6.963 1.00 0.00 C ATOM 1153 CG PHE A 83 -11.780 -1.896 5.843 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.750 -0.980 6.106 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.279 -2.013 4.584 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.240 -0.146 5.067 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -11.769 -1.179 3.544 1.00 0.00 C ATOM 1158 CZ PHE A 83 -12.739 -0.263 3.808 1.00 0.00 C ATOM 0 H PHE A 83 -10.793 -3.727 9.130 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.263 -2.090 7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.752 -3.656 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.096 -3.178 7.536 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.148 -0.887 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.508 -2.740 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.010 0.581 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.372 -1.272 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.112 0.372 3.018 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.568 -0.439 9.104 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.074 0.891 9.398 1.00 0.00 C ATOM 1170 C GLU A 84 -10.954 1.774 9.952 1.00 0.00 C ATOM 1171 O GLU A 84 -10.745 2.890 9.477 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.253 0.827 10.370 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.509 0.299 9.675 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.698 1.234 9.904 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.801 1.754 11.037 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.477 1.409 8.943 1.00 0.00 O ATOM 0 H GLU A 84 -11.913 -1.173 9.723 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.435 1.334 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.000 0.182 11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.448 1.819 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.322 0.198 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.746 -0.696 10.052 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.262 1.242 10.949 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.169 1.968 11.572 1.00 0.00 C ATOM 1185 C GLU A 85 -8.299 2.636 10.506 1.00 0.00 C ATOM 1186 O GLU A 85 -8.159 3.858 10.490 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.334 1.044 12.461 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.185 1.625 13.869 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.774 2.173 14.089 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.825 1.495 13.640 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.676 3.259 14.702 1.00 0.00 O ATOM 0 H GLU A 85 -10.437 0.317 11.341 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.591 2.746 12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.806 0.063 12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.349 0.899 12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.915 2.421 14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.399 0.854 14.609 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.737 1.805 9.640 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.885 2.300 8.572 1.00 0.00 C ATOM 1200 C ALA A 86 -7.491 3.580 7.993 1.00 0.00 C ATOM 1201 O ALA A 86 -6.805 4.592 7.863 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.705 1.209 7.515 1.00 0.00 C ATOM 0 H ALA A 86 -7.855 0.792 9.656 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.895 2.549 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.066 1.580 6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.243 0.333 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.677 0.935 7.106 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.771 3.492 7.661 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.478 4.630 7.098 1.00 0.00 C ATOM 1210 C ASN A 87 -9.379 5.814 8.063 1.00 0.00 C ATOM 1211 O ASN A 87 -9.027 6.921 7.659 1.00 0.00 O ATOM 1212 CB ASN A 87 -10.960 4.311 6.892 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.517 5.057 5.678 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.868 6.224 5.741 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.579 4.321 4.572 1.00 0.00 N ATOM 0 H ASN A 87 -9.337 2.650 7.771 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.023 4.867 6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.089 3.237 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.523 4.588 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.937 4.728 3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.269 3.349 4.588 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.696 5.540 9.320 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.647 6.568 10.345 1.00 0.00 C ATOM 1224 C GLN A 88 -8.247 7.181 10.416 1.00 0.00 C ATOM 1225 O GLN A 88 -8.104 8.398 10.526 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.070 6.007 11.705 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.430 6.564 12.129 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.532 6.111 11.169 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -13.280 6.904 10.623 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.589 4.793 10.995 1.00 0.00 N ATOM 0 H GLN A 88 -9.988 4.621 9.652 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.353 7.354 10.078 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.118 4.919 11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.320 6.258 12.455 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.664 6.231 13.140 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.389 7.653 12.154 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.931 4.185 11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.290 4.391 10.373 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.251 6.311 10.351 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.867 6.751 10.406 1.00 0.00 C ATOM 1241 C LEU A 89 -5.681 7.950 9.473 1.00 0.00 C ATOM 1242 O LEU A 89 -5.167 8.988 9.886 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.921 5.586 10.108 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.082 4.349 10.993 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.825 3.478 10.950 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.459 4.742 12.423 1.00 0.00 C ATOM 0 H LEU A 89 -7.374 5.303 10.261 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.613 7.086 11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.062 5.286 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.896 5.944 10.201 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.903 3.750 10.598 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.965 2.605 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.642 3.154 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.971 4.054 11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.567 3.844 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.677 5.374 12.845 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.402 5.289 12.413 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.108 7.765 8.233 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.994 8.818 7.238 1.00 0.00 C ATOM 1260 C LEU A 90 -6.758 10.054 7.720 1.00 0.00 C ATOM 1261 O LEU A 90 -6.176 11.127 7.872 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.447 8.311 5.867 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.460 7.406 5.127 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -5.887 7.204 3.672 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.033 7.947 5.236 1.00 0.00 C ATOM 0 H LEU A 90 -6.533 6.902 7.894 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.952 9.114 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.383 7.767 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.662 9.173 5.236 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.470 6.426 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.169 6.557 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.874 6.742 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.923 8.169 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.351 7.285 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.988 8.945 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.742 7.997 6.285 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.049 9.861 7.947 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.897 10.946 8.408 1.00 0.00 C ATOM 1279 C ARG A 91 -8.156 11.798 9.441 1.00 0.00 C ATOM 1280 O ARG A 91 -8.263 13.023 9.433 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.188 10.410 9.031 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.279 10.242 7.972 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.426 11.227 8.207 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.058 11.585 6.917 1.00 0.00 N ATOM 1285 CZ ARG A 91 -13.832 10.756 6.204 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -14.075 9.516 6.651 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -14.363 11.166 5.044 1.00 0.00 N ATOM 0 H ARG A 91 -8.528 8.969 7.820 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.151 11.558 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.993 9.452 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.532 11.093 9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.856 10.401 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.660 9.221 7.996 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.166 10.784 8.873 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.051 12.124 8.699 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.894 12.522 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.671 9.204 7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.664 8.885 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.178 12.110 4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.952 10.535 4.501 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.421 11.114 10.306 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.662 11.792 11.343 1.00 0.00 C ATOM 1303 C ASP A 92 -5.400 12.402 10.730 1.00 0.00 C ATOM 1304 O ASP A 92 -5.047 13.541 11.031 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.231 10.815 12.439 1.00 0.00 C ATOM 1306 CG ASP A 92 -5.962 11.451 13.804 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -6.957 11.729 14.507 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -4.766 11.646 14.113 1.00 0.00 O ATOM 0 H ASP A 92 -7.335 10.098 10.310 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.299 12.562 11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.006 10.057 12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.328 10.300 12.111 1.00 0.00 H new ATOM 1313 N SER A 93 -4.755 11.616 9.881 1.00 0.00 N ATOM 1314 CA SER A 93 -3.539 12.064 9.222 1.00 0.00 C ATOM 1315 C SER A 93 -3.720 13.493 8.706 1.00 0.00 C ATOM 1316 O SER A 93 -2.786 14.293 8.742 1.00 0.00 O ATOM 1317 CB SER A 93 -3.158 11.129 8.073 1.00 0.00 C ATOM 1318 OG SER A 93 -3.221 9.758 8.458 1.00 0.00 O ATOM 0 H SER A 93 -5.051 10.672 9.634 1.00 0.00 H new ATOM 0 HA SER A 93 -2.729 12.047 9.951 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.827 11.300 7.229 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.149 11.364 7.733 1.00 0.00 H new ATOM 0 HG SER A 93 -3.794 9.666 9.248 1.00 0.00 H new ATOM 1324 N SER A 94 -4.928 13.770 8.237 1.00 0.00 N ATOM 1325 CA SER A 94 -5.243 15.089 7.714 1.00 0.00 C ATOM 1326 C SER A 94 -4.769 16.166 8.691 1.00 0.00 C ATOM 1327 O SER A 94 -4.473 17.289 8.286 1.00 0.00 O ATOM 1328 CB SER A 94 -6.744 15.233 7.452 1.00 0.00 C ATOM 1329 OG SER A 94 -7.018 16.193 6.436 1.00 0.00 O ATOM 0 H SER A 94 -5.700 13.104 8.208 1.00 0.00 H new ATOM 0 HA SER A 94 -4.722 15.214 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.155 14.267 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.246 15.527 8.374 1.00 0.00 H new ATOM 0 HG SER A 94 -7.986 16.255 6.297 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.711 15.787 9.959 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.278 16.707 10.997 1.00 0.00 C ATOM 1337 C ILE A 95 -2.924 17.304 10.610 1.00 0.00 C ATOM 1338 O ILE A 95 -2.842 18.472 10.231 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.277 16.014 12.361 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.698 15.889 12.914 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.342 16.729 13.339 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.809 14.707 13.879 1.00 0.00 C ATOM 0 H ILE A 95 -4.957 14.855 10.291 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.979 17.537 11.087 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.893 15.002 12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.974 16.810 13.428 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.402 15.759 12.092 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.360 16.216 14.301 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.327 16.722 12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.672 17.759 13.471 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.829 14.641 14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.556 13.785 13.356 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.122 14.852 14.712 1.00 0.00 H new ATOM 1354 N THR A 96 -1.895 16.476 10.717 1.00 0.00 N ATOM 1355 CA THR A 96 -0.548 16.908 10.383 1.00 0.00 C ATOM 1356 C THR A 96 -0.446 17.228 8.891 1.00 0.00 C ATOM 1357 O THR A 96 0.535 17.821 8.445 1.00 0.00 O ATOM 1358 CB THR A 96 0.424 15.819 10.839 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.707 16.328 10.484 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.293 14.535 10.019 1.00 0.00 C ATOM 0 H THR A 96 -1.967 15.508 11.030 1.00 0.00 H new ATOM 0 HA THR A 96 -0.289 17.832 10.900 1.00 0.00 H new ATOM 0 HB THR A 96 0.250 15.596 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.604 17.034 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.006 13.796 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.719 14.143 10.117 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.499 14.750 8.971 1.00 0.00 H new ATOM 1368 N SER A 97 -1.472 16.820 8.159 1.00 0.00 N ATOM 1369 CA SER A 97 -1.510 17.056 6.726 1.00 0.00 C ATOM 1370 C SER A 97 -0.446 16.207 6.027 1.00 0.00 C ATOM 1371 O SER A 97 0.009 16.548 4.937 1.00 0.00 O ATOM 1372 CB SER A 97 -1.302 18.537 6.405 1.00 0.00 C ATOM 1373 OG SER A 97 -2.433 19.105 5.750 1.00 0.00 O ATOM 0 H SER A 97 -2.284 16.327 8.532 1.00 0.00 H new ATOM 0 HA SER A 97 -2.495 16.768 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.105 19.084 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.422 18.651 5.772 1.00 0.00 H new ATOM 0 HG SER A 97 -2.262 20.052 5.564 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.079 15.117 6.685 1.00 0.00 N ATOM 1380 CA LYS A 98 0.924 14.217 6.141 1.00 0.00 C ATOM 1381 C LYS A 98 0.622 12.788 6.598 1.00 0.00 C ATOM 1382 O LYS A 98 0.150 12.576 7.714 1.00 0.00 O ATOM 1383 CB LYS A 98 2.330 14.695 6.509 1.00 0.00 C ATOM 1384 CG LYS A 98 3.204 14.839 5.261 1.00 0.00 C ATOM 1385 CD LYS A 98 4.305 15.879 5.480 1.00 0.00 C ATOM 1386 CE LYS A 98 4.808 16.433 4.146 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.560 17.691 4.357 1.00 0.00 N ATOM 0 H LYS A 98 -0.458 14.837 7.590 1.00 0.00 H new ATOM 0 HA LYS A 98 0.886 14.219 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.269 15.652 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.789 13.988 7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.652 13.877 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.586 15.131 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.924 16.694 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.133 15.428 6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.448 15.698 3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.965 16.614 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.894 18.053 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.939 18.396 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.376 17.508 4.976 1.00 0.00 H new ATOM 1401 N VAL A 99 0.906 11.845 5.712 1.00 0.00 N ATOM 1402 CA VAL A 99 0.671 10.442 6.010 1.00 0.00 C ATOM 1403 C VAL A 99 1.809 9.604 5.426 1.00 0.00 C ATOM 1404 O VAL A 99 2.316 9.903 4.346 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.707 10.022 5.494 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.814 10.233 3.982 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.012 8.570 5.868 1.00 0.00 C ATOM 0 H VAL A 99 1.297 12.025 4.787 1.00 0.00 H new ATOM 0 HA VAL A 99 0.665 10.276 7.087 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.453 10.656 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.803 9.927 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.660 11.287 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.055 9.636 3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.997 8.296 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.260 7.915 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.997 8.463 6.953 1.00 0.00 H new ATOM 1417 N THR A 100 2.179 8.569 6.166 1.00 0.00 N ATOM 1418 CA THR A 100 3.248 7.684 5.736 1.00 0.00 C ATOM 1419 C THR A 100 2.701 6.283 5.457 1.00 0.00 C ATOM 1420 O THR A 100 2.520 5.488 6.378 1.00 0.00 O ATOM 1421 CB THR A 100 4.341 7.708 6.806 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.960 8.981 6.642 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.464 6.708 6.519 1.00 0.00 C ATOM 0 H THR A 100 1.757 8.323 7.062 1.00 0.00 H new ATOM 0 HA THR A 100 3.686 8.020 4.796 1.00 0.00 H new ATOM 0 HB THR A 100 3.901 7.490 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.681 9.081 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.213 6.766 7.309 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.052 5.699 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.927 6.946 5.561 1.00 0.00 H new ATOM 1431 N LEU A 101 2.454 6.022 4.182 1.00 0.00 N ATOM 1432 CA LEU A 101 1.931 4.730 3.770 1.00 0.00 C ATOM 1433 C LEU A 101 3.095 3.763 3.544 1.00 0.00 C ATOM 1434 O LEU A 101 3.952 4.005 2.695 1.00 0.00 O ATOM 1435 CB LEU A 101 1.015 4.886 2.554 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.356 5.508 2.822 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.137 4.691 3.853 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -0.221 6.975 3.237 1.00 0.00 C ATOM 0 H LEU A 101 2.606 6.683 3.420 1.00 0.00 H new ATOM 0 HA LEU A 101 1.308 4.302 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.530 5.496 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.865 3.902 2.109 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.928 5.487 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.108 5.155 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.281 3.677 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.580 4.658 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.210 7.393 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.377 7.042 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.267 7.535 2.439 1.00 0.00 H new ATOM 1450 N GLU A 102 3.087 2.688 4.318 1.00 0.00 N ATOM 1451 CA GLU A 102 4.131 1.683 4.213 1.00 0.00 C ATOM 1452 C GLU A 102 3.682 0.545 3.294 1.00 0.00 C ATOM 1453 O GLU A 102 2.692 -0.130 3.574 1.00 0.00 O ATOM 1454 CB GLU A 102 4.522 1.151 5.593 1.00 0.00 C ATOM 1455 CG GLU A 102 5.551 0.025 5.476 1.00 0.00 C ATOM 1456 CD GLU A 102 6.471 -0.006 6.699 1.00 0.00 C ATOM 1457 OE1 GLU A 102 5.922 0.006 7.822 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.701 -0.042 6.482 1.00 0.00 O ATOM 0 H GLU A 102 2.374 2.491 5.020 1.00 0.00 H new ATOM 0 HA GLU A 102 5.014 2.150 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.932 1.961 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.635 0.785 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.039 -0.932 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.145 0.163 4.573 1.00 0.00 H new ATOM 1465 N ILE A 103 4.432 0.366 2.216 1.00 0.00 N ATOM 1466 CA ILE A 103 4.123 -0.679 1.255 1.00 0.00 C ATOM 1467 C ILE A 103 5.254 -1.709 1.247 1.00 0.00 C ATOM 1468 O ILE A 103 6.325 -1.465 1.801 1.00 0.00 O ATOM 1469 CB ILE A 103 3.833 -0.074 -0.120 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.956 1.174 0.004 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.221 -1.114 -1.059 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.507 0.797 0.318 1.00 0.00 C ATOM 0 H ILE A 103 5.253 0.927 1.987 1.00 0.00 H new ATOM 0 HA ILE A 103 3.213 -1.205 1.544 1.00 0.00 H new ATOM 0 HB ILE A 103 4.779 0.240 -0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.346 1.820 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.994 1.743 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.025 -0.658 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.915 -1.945 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.286 -1.481 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.905 1.702 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.112 0.171 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.469 0.249 1.259 1.00 0.00 H new ATOM 1484 N GLU A 104 4.978 -2.840 0.613 1.00 0.00 N ATOM 1485 CA GLU A 104 5.958 -3.908 0.526 1.00 0.00 C ATOM 1486 C GLU A 104 5.898 -4.574 -0.850 1.00 0.00 C ATOM 1487 O GLU A 104 4.840 -5.038 -1.273 1.00 0.00 O ATOM 1488 CB GLU A 104 5.751 -4.935 1.642 1.00 0.00 C ATOM 1489 CG GLU A 104 6.434 -6.261 1.300 1.00 0.00 C ATOM 1490 CD GLU A 104 6.883 -6.989 2.568 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.995 -6.671 3.042 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.104 -7.848 3.036 1.00 0.00 O ATOM 0 H GLU A 104 4.089 -3.039 0.155 1.00 0.00 H new ATOM 0 HA GLU A 104 6.950 -3.475 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.152 -4.546 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.685 -5.100 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.747 -6.893 0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.295 -6.076 0.658 1.00 0.00 H new ATOM 1499 N PHE A 105 7.046 -4.599 -1.511 1.00 0.00 N ATOM 1500 CA PHE A 105 7.136 -5.200 -2.830 1.00 0.00 C ATOM 1501 C PHE A 105 8.159 -6.338 -2.846 1.00 0.00 C ATOM 1502 O PHE A 105 8.773 -6.640 -1.823 1.00 0.00 O ATOM 1503 CB PHE A 105 7.597 -4.103 -3.791 1.00 0.00 C ATOM 1504 CG PHE A 105 8.651 -3.162 -3.203 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.294 -2.241 -2.269 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.945 -3.249 -3.613 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.272 -1.368 -1.722 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.923 -2.377 -3.066 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.566 -1.454 -2.133 1.00 0.00 C ATOM 0 H PHE A 105 7.921 -4.213 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 105 6.169 -5.613 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.001 -4.568 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.731 -3.516 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.267 -2.173 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.229 -3.981 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.988 -0.636 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.951 -2.447 -3.391 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.310 -0.789 -1.719 1.00 0.00 H new ATOM 1519 N ASP A 106 8.312 -6.938 -4.017 1.00 0.00 N ATOM 1520 CA ASP A 106 9.251 -8.035 -4.179 1.00 0.00 C ATOM 1521 C ASP A 106 10.466 -7.549 -4.971 1.00 0.00 C ATOM 1522 O ASP A 106 10.354 -6.638 -5.790 1.00 0.00 O ATOM 1523 CB ASP A 106 8.616 -9.193 -4.952 1.00 0.00 C ATOM 1524 CG ASP A 106 7.901 -8.793 -6.244 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.325 -7.777 -6.837 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.946 -9.511 -6.610 1.00 0.00 O ATOM 0 H ASP A 106 7.801 -6.685 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 106 9.542 -8.379 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.393 -9.918 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.902 -9.697 -4.300 1.00 0.00 H new