USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 GLN : amide:sc= -5.83! C(o=-7.6!,f=-7.8!) USER MOD Set 1.2: A 96 GLN : amide:sc= -1.73! C(o=-7.6!,f=-10!) USER MOD Single : A 11 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.868 K(o=-0.87,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot -44:sc= 0.204! USER MOD Single : A 25 SER OG : rot -160:sc= -2.45 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.19) USER MOD Single : A 30 GLN : amide:sc= -0.347 K(o=-0.35,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -9.89! C(o=-9.9!,f=-7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.044) USER MOD Single : A 51 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.36) USER MOD Single : A 55 GLN : amide:sc= -8.07! C(o=-8.1!,f=-8.1!) USER MOD Single : A 57 GLN : amide:sc= -0.0087 K(o=-0.0087,f=-0.81) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 0.984 (180deg=0.775) USER MOD Single : A 77 SER OG : rot 180:sc= -0.445 USER MOD Single : A 79 GLN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : A 82 SER OG : rot 71:sc= -5.42! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 89 GLN : amide:sc= -10.7! C(o=-11!,f=-17!) USER MOD Single : A 92 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -4.569 -4.740 15.621 1.00 0.00 N ATOM 133 CA GLN A 11 -3.478 -3.771 15.591 1.00 0.00 C ATOM 134 C GLN A 11 -3.470 -3.040 14.256 1.00 0.00 C ATOM 135 O GLN A 11 -3.854 -3.604 13.231 1.00 0.00 O ATOM 136 CB GLN A 11 -2.132 -4.474 15.781 1.00 0.00 C ATOM 137 CG GLN A 11 -2.027 -5.021 17.202 1.00 0.00 C ATOM 138 CD GLN A 11 -0.603 -5.494 17.472 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.393 -6.637 17.879 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.394 -4.678 17.265 1.00 0.00 N ATOM 0 HA GLN A 11 -3.630 -3.059 16.402 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.031 -5.286 15.061 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.317 -3.776 15.590 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.305 -4.249 17.920 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.725 -5.847 17.336 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.217 -3.732 16.928 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.350 -4.986 17.440 1.00 0.00 H new ATOM 149 N PRO A 12 -3.039 -1.809 14.245 1.00 0.00 N ATOM 150 CA PRO A 12 -2.980 -1.002 13.000 1.00 0.00 C ATOM 151 C PRO A 12 -2.317 -1.788 11.872 1.00 0.00 C ATOM 152 O PRO A 12 -1.495 -2.670 12.121 1.00 0.00 O ATOM 153 CB PRO A 12 -2.146 0.233 13.372 1.00 0.00 C ATOM 154 CG PRO A 12 -1.748 0.085 14.811 1.00 0.00 C ATOM 155 CD PRO A 12 -2.568 -1.059 15.410 1.00 0.00 C ATOM 0 HA PRO A 12 -3.972 -0.733 12.638 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.265 0.308 12.735 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.724 1.146 13.225 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.682 -0.126 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.932 1.012 15.355 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.962 -1.683 16.067 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.400 -0.684 16.006 1.00 0.00 H new ATOM 163 N LEU A 13 -2.681 -1.472 10.637 1.00 0.00 N ATOM 164 CA LEU A 13 -2.114 -2.163 9.492 1.00 0.00 C ATOM 165 C LEU A 13 -0.708 -1.653 9.222 1.00 0.00 C ATOM 166 O LEU A 13 -0.484 -0.445 9.138 1.00 0.00 O ATOM 167 CB LEU A 13 -2.993 -1.916 8.261 1.00 0.00 C ATOM 168 CG LEU A 13 -2.655 -2.909 7.147 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.641 -2.712 5.998 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.236 -2.660 6.631 1.00 0.00 C ATOM 0 H LEU A 13 -3.361 -0.748 10.405 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.071 -3.231 9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.044 -2.011 8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.848 -0.897 7.903 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.720 -3.925 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.411 -3.414 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.656 -2.888 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.561 -1.692 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.007 -3.373 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.164 -1.646 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.525 -2.784 7.448 1.00 0.00 H new ATOM 182 N LEU A 14 0.235 -2.574 9.071 1.00 0.00 N ATOM 183 CA LEU A 14 1.600 -2.193 8.791 1.00 0.00 C ATOM 184 C LEU A 14 1.820 -2.234 7.287 1.00 0.00 C ATOM 185 O LEU A 14 1.740 -3.291 6.660 1.00 0.00 O ATOM 186 CB LEU A 14 2.545 -3.147 9.519 1.00 0.00 C ATOM 187 CG LEU A 14 2.214 -3.133 11.015 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.335 -3.812 11.802 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.056 -1.688 11.495 1.00 0.00 C ATOM 0 H LEU A 14 0.076 -3.579 9.138 1.00 0.00 H new ATOM 0 HA LEU A 14 1.801 -1.181 9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.442 -4.156 9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.580 -2.846 9.360 1.00 0.00 H new ATOM 0 HG LEU A 14 1.282 -3.674 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.093 -3.799 12.865 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.441 -4.844 11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.271 -3.278 11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.821 -1.682 12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.986 -1.145 11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.249 -1.207 10.942 1.00 0.00 H new ATOM 201 N LEU A 15 2.046 -1.061 6.712 1.00 0.00 N ATOM 202 CA LEU A 15 2.220 -0.941 5.275 1.00 0.00 C ATOM 203 C LEU A 15 3.519 -0.210 4.952 1.00 0.00 C ATOM 204 O LEU A 15 3.826 0.815 5.559 1.00 0.00 O ATOM 205 CB LEU A 15 1.014 -0.162 4.725 1.00 0.00 C ATOM 206 CG LEU A 15 0.860 -0.368 3.220 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.066 0.232 2.501 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.750 -1.866 2.912 1.00 0.00 C ATOM 0 H LEU A 15 2.113 -0.180 7.221 1.00 0.00 H new ATOM 0 HA LEU A 15 2.277 -1.928 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.106 -0.487 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.136 0.900 4.938 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.046 0.129 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.958 0.086 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.126 1.298 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.976 -0.260 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.640 -2.009 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.650 -2.375 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.119 -2.280 3.424 1.00 0.00 H new ATOM 220 N GLN A 16 4.278 -0.733 3.992 1.00 0.00 N ATOM 221 CA GLN A 16 5.535 -0.099 3.613 1.00 0.00 C ATOM 222 C GLN A 16 5.628 0.083 2.105 1.00 0.00 C ATOM 223 O GLN A 16 5.021 -0.665 1.338 1.00 0.00 O ATOM 224 CB GLN A 16 6.721 -0.932 4.098 1.00 0.00 C ATOM 225 CG GLN A 16 6.934 -0.695 5.592 1.00 0.00 C ATOM 226 CD GLN A 16 8.089 -1.554 6.094 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.562 -2.438 5.378 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.574 -1.346 7.287 1.00 0.00 N ATOM 0 H GLN A 16 4.049 -1.579 3.471 1.00 0.00 H new ATOM 0 HA GLN A 16 5.564 0.883 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.537 -1.990 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.620 -0.661 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.146 0.358 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.024 -0.937 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.180 -0.613 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.347 -1.916 7.630 1.00 0.00 H new ATOM 237 N LEU A 17 6.399 1.083 1.691 1.00 0.00 N ATOM 238 CA LEU A 17 6.581 1.369 0.275 1.00 0.00 C ATOM 239 C LEU A 17 8.055 1.629 -0.022 1.00 0.00 C ATOM 240 O LEU A 17 8.695 2.438 0.642 1.00 0.00 O ATOM 241 CB LEU A 17 5.740 2.588 -0.114 1.00 0.00 C ATOM 242 CG LEU A 17 5.799 2.800 -1.627 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.864 1.806 -2.321 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.351 4.226 -1.952 1.00 0.00 C ATOM 0 H LEU A 17 6.907 1.708 2.317 1.00 0.00 H new ATOM 0 HA LEU A 17 6.255 0.509 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.707 2.443 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.109 3.475 0.401 1.00 0.00 H new ATOM 0 HG LEU A 17 6.819 2.644 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.907 1.958 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.175 0.788 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.843 1.963 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.391 4.383 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.330 4.375 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.012 4.937 -1.457 1.00 0.00 H new ATOM 256 N PHE A 18 8.592 0.934 -1.017 1.00 0.00 N ATOM 257 CA PHE A 18 9.998 1.107 -1.371 1.00 0.00 C ATOM 258 C PHE A 18 10.143 2.052 -2.554 1.00 0.00 C ATOM 259 O PHE A 18 9.543 1.838 -3.607 1.00 0.00 O ATOM 260 CB PHE A 18 10.615 -0.249 -1.713 1.00 0.00 C ATOM 261 CG PHE A 18 10.917 -0.986 -0.434 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.885 -1.280 0.464 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.230 -1.368 -0.145 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.168 -1.953 1.656 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.515 -2.045 1.045 1.00 0.00 C ATOM 266 CZ PHE A 18 11.482 -2.337 1.947 1.00 0.00 C ATOM 0 H PHE A 18 8.086 0.255 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 18 10.520 1.539 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.929 -0.830 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.527 -0.112 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.871 -0.987 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.024 -1.140 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.373 -2.177 2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.529 -2.342 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.700 -2.859 2.867 1.00 0.00 H new ATOM 276 N VAL A 19 10.937 3.106 -2.373 1.00 0.00 N ATOM 277 CA VAL A 19 11.130 4.075 -3.448 1.00 0.00 C ATOM 278 C VAL A 19 12.600 4.433 -3.634 1.00 0.00 C ATOM 279 O VAL A 19 13.411 4.301 -2.716 1.00 0.00 O ATOM 280 CB VAL A 19 10.350 5.352 -3.143 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.938 4.992 -2.679 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.069 6.136 -2.043 1.00 0.00 C ATOM 0 H VAL A 19 11.446 3.308 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 19 10.767 3.615 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 19 10.287 5.964 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.383 5.904 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.428 4.435 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.996 4.380 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.514 7.048 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.133 5.525 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.074 6.395 -2.378 1.00 0.00 H new ATOM 292 N ASP A 20 12.920 4.919 -4.830 1.00 0.00 N ATOM 293 CA ASP A 20 14.277 5.338 -5.152 1.00 0.00 C ATOM 294 C ASP A 20 14.383 6.857 -5.030 1.00 0.00 C ATOM 295 O ASP A 20 15.306 7.474 -5.561 1.00 0.00 O ATOM 296 CB ASP A 20 14.646 4.894 -6.570 1.00 0.00 C ATOM 297 CG ASP A 20 13.732 5.574 -7.581 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.041 6.500 -7.193 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.733 5.154 -8.727 1.00 0.00 O ATOM 0 H ASP A 20 12.254 5.032 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 20 14.972 4.872 -4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.686 5.145 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.556 3.811 -6.656 1.00 0.00 H new ATOM 304 N THR A 21 13.417 7.444 -4.324 1.00 0.00 N ATOM 305 CA THR A 21 13.373 8.891 -4.114 1.00 0.00 C ATOM 306 C THR A 21 12.903 9.631 -5.368 1.00 0.00 C ATOM 307 O THR A 21 12.925 10.862 -5.407 1.00 0.00 O ATOM 308 CB THR A 21 14.752 9.409 -3.695 1.00 0.00 C ATOM 309 OG1 THR A 21 15.581 9.534 -4.841 1.00 0.00 O ATOM 310 CG2 THR A 21 15.387 8.433 -2.703 1.00 0.00 C ATOM 0 H THR A 21 12.649 6.936 -3.885 1.00 0.00 H new ATOM 0 HA THR A 21 12.654 9.084 -3.318 1.00 0.00 H new ATOM 0 HB THR A 21 14.644 10.384 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.473 8.744 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.368 8.803 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.751 8.344 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.495 7.455 -3.173 1.00 0.00 H new ATOM 318 N ARG A 22 12.459 8.889 -6.381 1.00 0.00 N ATOM 319 CA ARG A 22 11.968 9.517 -7.608 1.00 0.00 C ATOM 320 C ARG A 22 10.580 10.116 -7.368 1.00 0.00 C ATOM 321 O ARG A 22 9.774 9.549 -6.631 1.00 0.00 O ATOM 322 CB ARG A 22 11.909 8.492 -8.745 1.00 0.00 C ATOM 323 CG ARG A 22 10.778 7.491 -8.483 1.00 0.00 C ATOM 324 CD ARG A 22 11.039 6.187 -9.246 1.00 0.00 C ATOM 325 NE ARG A 22 10.002 5.969 -10.248 1.00 0.00 N ATOM 326 CZ ARG A 22 10.303 5.511 -11.460 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.487 5.732 -11.964 1.00 0.00 N ATOM 328 NH2 ARG A 22 9.418 4.838 -12.143 1.00 0.00 N ATOM 0 H ARG A 22 12.428 7.869 -6.379 1.00 0.00 H new ATOM 0 HA ARG A 22 12.655 10.314 -7.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.745 8.999 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.861 7.967 -8.823 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.703 7.287 -7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.825 7.918 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.016 6.229 -9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.063 5.349 -8.549 1.00 0.00 H new ATOM 0 HE ARG A 22 9.030 6.171 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.180 6.255 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.719 5.381 -12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.494 4.663 -11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.650 4.487 -13.072 1.00 0.00 H new ATOM 342 N PRO A 23 10.293 11.251 -7.956 1.00 0.00 N ATOM 343 CA PRO A 23 8.981 11.932 -7.775 1.00 0.00 C ATOM 344 C PRO A 23 7.796 11.016 -8.074 1.00 0.00 C ATOM 345 O PRO A 23 6.760 11.100 -7.416 1.00 0.00 O ATOM 346 CB PRO A 23 8.996 13.104 -8.761 1.00 0.00 C ATOM 347 CG PRO A 23 10.298 13.058 -9.498 1.00 0.00 C ATOM 348 CD PRO A 23 11.189 11.996 -8.846 1.00 0.00 C ATOM 0 HA PRO A 23 8.857 12.247 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.160 13.030 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.889 14.051 -8.232 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.130 12.819 -10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.785 14.032 -9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.637 11.342 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.008 12.453 -8.291 1.00 0.00 H new ATOM 356 N LEU A 24 7.944 10.148 -9.071 1.00 0.00 N ATOM 357 CA LEU A 24 6.859 9.242 -9.428 1.00 0.00 C ATOM 358 C LEU A 24 6.416 8.453 -8.199 1.00 0.00 C ATOM 359 O LEU A 24 5.221 8.310 -7.940 1.00 0.00 O ATOM 360 CB LEU A 24 7.315 8.274 -10.521 1.00 0.00 C ATOM 361 CG LEU A 24 6.143 7.389 -10.941 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.254 8.143 -11.930 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.683 6.124 -11.606 1.00 0.00 C ATOM 0 H LEU A 24 8.788 10.054 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 24 6.021 9.831 -9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.690 8.830 -11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.137 7.658 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 24 5.556 7.123 -10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.419 7.508 -12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.871 9.048 -11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.837 8.412 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.851 5.488 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.269 6.396 -12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.315 5.584 -10.901 1.00 0.00 H new ATOM 375 N SER A 25 7.388 7.961 -7.433 1.00 0.00 N ATOM 376 CA SER A 25 7.081 7.210 -6.222 1.00 0.00 C ATOM 377 C SER A 25 6.351 8.115 -5.240 1.00 0.00 C ATOM 378 O SER A 25 5.356 7.719 -4.632 1.00 0.00 O ATOM 379 CB SER A 25 8.369 6.691 -5.583 1.00 0.00 C ATOM 380 OG SER A 25 9.132 5.996 -6.560 1.00 0.00 O ATOM 0 H SER A 25 8.383 8.068 -7.628 1.00 0.00 H new ATOM 0 HA SER A 25 6.448 6.360 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.947 7.521 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.134 6.029 -4.750 1.00 0.00 H new ATOM 0 HG SER A 25 9.774 5.405 -6.114 1.00 0.00 H new ATOM 386 N GLN A 26 6.835 9.348 -5.123 1.00 0.00 N ATOM 387 CA GLN A 26 6.202 10.322 -4.248 1.00 0.00 C ATOM 388 C GLN A 26 4.808 10.602 -4.784 1.00 0.00 C ATOM 389 O GLN A 26 3.859 10.830 -4.035 1.00 0.00 O ATOM 390 CB GLN A 26 7.025 11.611 -4.222 1.00 0.00 C ATOM 391 CG GLN A 26 8.393 11.322 -3.601 1.00 0.00 C ATOM 392 CD GLN A 26 9.264 12.572 -3.644 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.933 13.540 -4.330 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.368 12.609 -2.950 1.00 0.00 N ATOM 0 H GLN A 26 7.657 9.692 -5.620 1.00 0.00 H new ATOM 0 HA GLN A 26 6.141 9.934 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.146 12.000 -5.233 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.505 12.377 -3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.270 10.991 -2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.882 10.511 -4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.641 11.807 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.958 13.440 -2.975 1.00 0.00 H new ATOM 403 N HIS A 27 4.715 10.552 -6.106 1.00 0.00 N ATOM 404 CA HIS A 27 3.463 10.767 -6.809 1.00 0.00 C ATOM 405 C HIS A 27 2.506 9.626 -6.465 1.00 0.00 C ATOM 406 O HIS A 27 1.379 9.836 -5.995 1.00 0.00 O ATOM 407 CB HIS A 27 3.770 10.751 -8.304 1.00 0.00 C ATOM 408 CG HIS A 27 2.877 11.693 -9.049 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.578 11.970 -8.661 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.107 12.441 -10.173 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.075 12.857 -9.542 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.969 13.178 -10.486 1.00 0.00 N ATOM 0 H HIS A 27 5.507 10.361 -6.719 1.00 0.00 H new ATOM 0 HA HIS A 27 3.005 11.715 -6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.812 11.027 -8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.643 9.741 -8.693 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.031 12.456 -10.732 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.074 13.260 -9.493 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.843 13.823 -11.266 1.00 0.00 H new ATOM 420 N ILE A 28 2.994 8.407 -6.678 1.00 0.00 N ATOM 421 CA ILE A 28 2.221 7.215 -6.373 1.00 0.00 C ATOM 422 C ILE A 28 1.946 7.153 -4.878 1.00 0.00 C ATOM 423 O ILE A 28 0.888 6.695 -4.447 1.00 0.00 O ATOM 424 CB ILE A 28 2.996 5.972 -6.808 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.181 5.997 -8.327 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.220 4.716 -6.411 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.079 4.833 -8.748 1.00 0.00 C ATOM 0 H ILE A 28 3.921 8.223 -7.061 1.00 0.00 H new ATOM 0 HA ILE A 28 1.274 7.252 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 28 3.970 5.963 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.214 5.923 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.625 6.944 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.775 3.831 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.086 4.698 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.245 4.722 -6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.212 4.849 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.050 4.928 -8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.616 3.891 -8.453 1.00 0.00 H new ATOM 439 N VAL A 29 2.905 7.634 -4.090 1.00 0.00 N ATOM 440 CA VAL A 29 2.752 7.642 -2.645 1.00 0.00 C ATOM 441 C VAL A 29 1.487 8.396 -2.261 1.00 0.00 C ATOM 442 O VAL A 29 0.720 7.945 -1.408 1.00 0.00 O ATOM 443 CB VAL A 29 3.968 8.299 -1.993 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.660 8.595 -0.526 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.166 7.351 -2.084 1.00 0.00 C ATOM 0 H VAL A 29 3.787 8.019 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 29 2.674 6.614 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 29 4.201 9.230 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.527 9.064 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.805 9.268 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.428 7.664 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.035 7.817 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.934 6.420 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.384 7.139 -3.131 1.00 0.00 H new ATOM 455 N GLN A 30 1.256 9.531 -2.912 1.00 0.00 N ATOM 456 CA GLN A 30 0.055 10.305 -2.634 1.00 0.00 C ATOM 457 C GLN A 30 -1.162 9.448 -2.917 1.00 0.00 C ATOM 458 O GLN A 30 -2.108 9.416 -2.131 1.00 0.00 O ATOM 459 CB GLN A 30 0.001 11.557 -3.509 1.00 0.00 C ATOM 460 CG GLN A 30 1.117 12.517 -3.108 1.00 0.00 C ATOM 461 CD GLN A 30 0.888 13.021 -1.686 1.00 0.00 C ATOM 462 OE1 GLN A 30 -0.247 13.304 -1.304 1.00 0.00 O ATOM 463 NE2 GLN A 30 1.904 13.159 -0.879 1.00 0.00 N ATOM 0 H GLN A 30 1.872 9.928 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 30 0.070 10.611 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.105 11.283 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.967 12.045 -3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.082 12.013 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.150 13.359 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.844 12.924 -1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.758 13.502 0.070 1.00 0.00 H new ATOM 472 N ARG A 31 -1.124 8.734 -4.038 1.00 0.00 N ATOM 473 CA ARG A 31 -2.240 7.867 -4.389 1.00 0.00 C ATOM 474 C ARG A 31 -2.422 6.800 -3.318 1.00 0.00 C ATOM 475 O ARG A 31 -3.541 6.495 -2.914 1.00 0.00 O ATOM 476 CB ARG A 31 -2.001 7.195 -5.733 1.00 0.00 C ATOM 477 CG ARG A 31 -1.955 8.257 -6.825 1.00 0.00 C ATOM 478 CD ARG A 31 -1.793 7.581 -8.180 1.00 0.00 C ATOM 479 NE ARG A 31 -2.982 7.792 -8.999 1.00 0.00 N ATOM 480 CZ ARG A 31 -3.808 6.789 -9.279 1.00 0.00 C ATOM 481 NH1 ARG A 31 -4.150 5.947 -8.343 1.00 0.00 N ATOM 482 NH2 ARG A 31 -4.274 6.645 -10.488 1.00 0.00 N ATOM 0 H ARG A 31 -0.351 8.738 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.139 8.479 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.065 6.637 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.795 6.478 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.869 8.851 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.126 8.942 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.917 7.980 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.623 6.513 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.182 8.724 -9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.784 6.059 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.784 5.177 -8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.005 7.302 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.908 5.875 -10.702 1.00 0.00 H new ATOM 496 N VAL A 32 -1.310 6.247 -2.850 1.00 0.00 N ATOM 497 CA VAL A 32 -1.362 5.228 -1.813 1.00 0.00 C ATOM 498 C VAL A 32 -1.955 5.823 -0.543 1.00 0.00 C ATOM 499 O VAL A 32 -2.895 5.276 0.034 1.00 0.00 O ATOM 500 CB VAL A 32 0.054 4.704 -1.548 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.036 3.654 -0.434 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.601 4.072 -2.831 1.00 0.00 C ATOM 0 H VAL A 32 -0.371 6.485 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.992 4.400 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 32 0.688 5.534 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.049 3.292 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.353 4.101 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.601 2.820 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.608 3.697 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.045 3.248 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.629 4.821 -3.622 1.00 0.00 H new ATOM 512 N LYS A 33 -1.410 6.960 -0.125 1.00 0.00 N ATOM 513 CA LYS A 33 -1.900 7.639 1.062 1.00 0.00 C ATOM 514 C LYS A 33 -3.350 8.068 0.877 1.00 0.00 C ATOM 515 O LYS A 33 -4.175 7.930 1.782 1.00 0.00 O ATOM 516 CB LYS A 33 -1.045 8.870 1.337 1.00 0.00 C ATOM 517 CG LYS A 33 0.378 8.437 1.685 1.00 0.00 C ATOM 518 CD LYS A 33 1.179 9.658 2.134 1.00 0.00 C ATOM 519 CE LYS A 33 2.646 9.271 2.338 1.00 0.00 C ATOM 520 NZ LYS A 33 3.052 9.589 3.736 1.00 0.00 N ATOM 0 H LYS A 33 -0.632 7.427 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.841 6.949 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.035 9.521 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.472 9.446 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.360 7.688 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.852 7.974 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.103 10.449 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.766 10.054 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.784 8.208 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.277 9.811 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.049 9.327 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.935 10.608 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.457 9.055 4.400 1.00 0.00 H new ATOM 534 N ASN A 34 -3.645 8.606 -0.302 1.00 0.00 N ATOM 535 CA ASN A 34 -4.986 9.077 -0.611 1.00 0.00 C ATOM 536 C ASN A 34 -6.000 7.937 -0.565 1.00 0.00 C ATOM 537 O ASN A 34 -7.083 8.084 0.001 1.00 0.00 O ATOM 538 CB ASN A 34 -4.985 9.709 -2.001 1.00 0.00 C ATOM 539 CG ASN A 34 -4.043 10.910 -2.021 1.00 0.00 C ATOM 540 OD1 ASN A 34 -4.012 11.689 -1.069 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.263 11.105 -3.051 1.00 0.00 N ATOM 0 H ASN A 34 -2.971 8.726 -1.058 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.276 9.814 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.671 8.976 -2.744 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.994 10.022 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.628 11.903 -3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.289 10.459 -3.840 1.00 0.00 H new ATOM 548 N ILE A 35 -5.644 6.803 -1.161 1.00 0.00 N ATOM 549 CA ILE A 35 -6.541 5.647 -1.174 1.00 0.00 C ATOM 550 C ILE A 35 -6.706 5.069 0.227 1.00 0.00 C ATOM 551 O ILE A 35 -7.828 4.879 0.700 1.00 0.00 O ATOM 552 CB ILE A 35 -5.990 4.567 -2.101 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.009 5.067 -3.549 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.849 3.304 -1.992 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.249 4.084 -4.441 1.00 0.00 C ATOM 0 H ILE A 35 -4.753 6.658 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.514 5.981 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.965 4.338 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.037 5.168 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.553 6.055 -3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.452 2.536 -2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.832 2.940 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.875 3.536 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.263 4.441 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.217 4.005 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.724 3.104 -4.390 1.00 0.00 H new ATOM 567 N LEU A 36 -5.588 4.795 0.892 1.00 0.00 N ATOM 568 CA LEU A 36 -5.642 4.246 2.241 1.00 0.00 C ATOM 569 C LEU A 36 -6.335 5.231 3.169 1.00 0.00 C ATOM 570 O LEU A 36 -7.124 4.846 4.032 1.00 0.00 O ATOM 571 CB LEU A 36 -4.230 3.960 2.754 1.00 0.00 C ATOM 572 CG LEU A 36 -3.570 2.905 1.868 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.199 2.544 2.441 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.452 1.654 1.829 1.00 0.00 C ATOM 0 H LEU A 36 -4.648 4.941 0.525 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.204 3.313 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.638 4.875 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.270 3.610 3.786 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.449 3.299 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.727 1.791 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.572 3.435 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.319 2.148 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.984 0.899 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.570 1.261 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.430 1.911 1.423 1.00 0.00 H new ATOM 586 N ALA A 37 -6.038 6.508 2.971 1.00 0.00 N ATOM 587 CA ALA A 37 -6.640 7.558 3.775 1.00 0.00 C ATOM 588 C ALA A 37 -8.115 7.697 3.431 1.00 0.00 C ATOM 589 O ALA A 37 -8.881 8.310 4.174 1.00 0.00 O ATOM 590 CB ALA A 37 -5.928 8.888 3.524 1.00 0.00 C ATOM 0 H ALA A 37 -5.385 6.840 2.261 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.540 7.292 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.388 9.667 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.875 8.793 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.013 9.153 2.470 1.00 0.00 H new ATOM 596 N ALA A 38 -8.504 7.137 2.289 1.00 0.00 N ATOM 597 CA ALA A 38 -9.890 7.224 1.855 1.00 0.00 C ATOM 598 C ALA A 38 -10.751 6.172 2.543 1.00 0.00 C ATOM 599 O ALA A 38 -11.966 6.331 2.654 1.00 0.00 O ATOM 600 CB ALA A 38 -9.975 7.038 0.339 1.00 0.00 C ATOM 0 H ALA A 38 -7.888 6.626 1.657 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.265 8.210 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.016 7.104 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.394 7.816 -0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.575 6.060 0.069 1.00 0.00 H new ATOM 606 N VAL A 39 -10.124 5.091 2.992 1.00 0.00 N ATOM 607 CA VAL A 39 -10.865 4.025 3.651 1.00 0.00 C ATOM 608 C VAL A 39 -10.883 4.199 5.168 1.00 0.00 C ATOM 609 O VAL A 39 -11.685 3.570 5.857 1.00 0.00 O ATOM 610 CB VAL A 39 -10.257 2.667 3.304 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.810 2.613 3.795 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.067 1.562 3.984 1.00 0.00 C ATOM 0 H VAL A 39 -9.120 4.931 2.913 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.893 4.074 3.291 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.278 2.524 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.378 1.644 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.233 3.402 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.787 2.755 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.636 0.591 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.044 1.706 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.099 1.600 3.635 1.00 0.00 H new ATOM 622 N GLU A 40 -9.997 5.042 5.689 1.00 0.00 N ATOM 623 CA GLU A 40 -9.941 5.260 7.132 1.00 0.00 C ATOM 624 C GLU A 40 -10.147 3.934 7.862 1.00 0.00 C ATOM 625 O GLU A 40 -9.264 3.077 7.871 1.00 0.00 O ATOM 626 CB GLU A 40 -11.023 6.254 7.558 1.00 0.00 C ATOM 627 CG GLU A 40 -10.794 7.596 6.857 1.00 0.00 C ATOM 628 CD GLU A 40 -11.830 8.612 7.329 1.00 0.00 C ATOM 629 OE1 GLU A 40 -12.747 8.214 8.029 1.00 0.00 O ATOM 630 OE2 GLU A 40 -11.691 9.775 6.983 1.00 0.00 O ATOM 0 H GLU A 40 -9.319 5.577 5.146 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.964 5.668 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.009 5.864 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.001 6.389 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.790 7.961 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.863 7.468 5.777 1.00 0.00 H new ATOM 637 N ALA A 41 -11.323 3.767 8.460 1.00 0.00 N ATOM 638 CA ALA A 41 -11.637 2.533 9.176 1.00 0.00 C ATOM 639 C ALA A 41 -11.234 2.624 10.643 1.00 0.00 C ATOM 640 O ALA A 41 -10.509 3.532 11.047 1.00 0.00 O ATOM 641 CB ALA A 41 -10.907 1.356 8.524 1.00 0.00 C ATOM 0 H ALA A 41 -12.069 4.463 8.464 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.715 2.380 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.144 0.438 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.225 1.261 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.832 1.530 8.560 1.00 0.00 H new ATOM 647 N THR A 42 -11.710 1.665 11.432 1.00 0.00 N ATOM 648 CA THR A 42 -11.398 1.625 12.856 1.00 0.00 C ATOM 649 C THR A 42 -9.959 1.171 13.071 1.00 0.00 C ATOM 650 O THR A 42 -9.442 1.218 14.186 1.00 0.00 O ATOM 651 CB THR A 42 -12.352 0.662 13.569 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.252 -0.625 12.973 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.788 1.177 13.448 1.00 0.00 C ATOM 0 H THR A 42 -12.312 0.907 11.110 1.00 0.00 H new ATOM 0 HA THR A 42 -11.518 2.627 13.268 1.00 0.00 H new ATOM 0 HB THR A 42 -12.084 0.596 14.623 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.860 -1.244 13.428 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.465 0.490 13.956 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.861 2.163 13.906 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.063 1.245 12.395 1.00 0.00 H new ATOM 661 N VAL A 43 -9.322 0.731 11.992 1.00 0.00 N ATOM 662 CA VAL A 43 -7.948 0.268 12.061 1.00 0.00 C ATOM 663 C VAL A 43 -7.076 1.038 11.073 1.00 0.00 C ATOM 664 O VAL A 43 -6.907 0.618 9.928 1.00 0.00 O ATOM 665 CB VAL A 43 -7.899 -1.222 11.738 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.280 -2.026 12.981 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.887 -1.532 10.610 1.00 0.00 C ATOM 0 H VAL A 43 -9.738 0.687 11.062 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.567 0.438 13.068 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.891 -1.492 11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.245 -3.091 12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.579 -1.806 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.288 -1.756 13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.853 -2.597 10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.895 -1.261 10.925 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.618 -0.959 9.723 1.00 0.00 H new ATOM 677 N PRO A 44 -6.535 2.157 11.486 1.00 0.00 N ATOM 678 CA PRO A 44 -5.681 2.995 10.605 1.00 0.00 C ATOM 679 C PRO A 44 -4.463 2.227 10.102 1.00 0.00 C ATOM 680 O PRO A 44 -3.992 1.297 10.756 1.00 0.00 O ATOM 681 CB PRO A 44 -5.256 4.191 11.466 1.00 0.00 C ATOM 682 CG PRO A 44 -5.879 4.025 12.817 1.00 0.00 C ATOM 683 CD PRO A 44 -6.683 2.723 12.835 1.00 0.00 C ATOM 0 HA PRO A 44 -6.223 3.307 9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.170 4.236 11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.580 5.126 11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.108 4.003 13.587 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.528 4.872 13.040 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.304 2.037 13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.731 2.911 13.070 1.00 0.00 H new ATOM 691 N ILE A 45 -3.966 2.616 8.933 1.00 0.00 N ATOM 692 CA ILE A 45 -2.809 1.947 8.352 1.00 0.00 C ATOM 693 C ILE A 45 -1.545 2.775 8.543 1.00 0.00 C ATOM 694 O ILE A 45 -1.576 4.002 8.468 1.00 0.00 O ATOM 695 CB ILE A 45 -3.021 1.717 6.856 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.379 1.050 6.627 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.902 0.814 6.318 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.447 2.125 6.393 1.00 0.00 C ATOM 0 H ILE A 45 -4.341 3.383 8.375 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.694 0.991 8.862 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.999 2.673 6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.327 0.382 5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.646 0.440 7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.050 0.648 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.937 1.295 6.480 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.923 -0.142 6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.414 1.648 6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.506 2.776 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.182 2.717 5.517 1.00 0.00 H new ATOM 710 N SER A 46 -0.431 2.090 8.769 1.00 0.00 N ATOM 711 CA SER A 46 0.844 2.769 8.943 1.00 0.00 C ATOM 712 C SER A 46 1.675 2.620 7.677 1.00 0.00 C ATOM 713 O SER A 46 2.134 1.524 7.349 1.00 0.00 O ATOM 714 CB SER A 46 1.600 2.171 10.130 1.00 0.00 C ATOM 715 OG SER A 46 2.795 2.910 10.345 1.00 0.00 O ATOM 0 H SER A 46 -0.385 1.073 8.835 1.00 0.00 H new ATOM 0 HA SER A 46 0.662 3.826 9.137 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.977 2.197 11.024 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.836 1.125 9.936 1.00 0.00 H new ATOM 0 HG SER A 46 3.282 2.531 11.106 1.00 0.00 H new ATOM 721 N LEU A 47 1.866 3.724 6.964 1.00 0.00 N ATOM 722 CA LEU A 47 2.640 3.692 5.733 1.00 0.00 C ATOM 723 C LEU A 47 4.062 4.156 6.007 1.00 0.00 C ATOM 724 O LEU A 47 4.283 5.259 6.504 1.00 0.00 O ATOM 725 CB LEU A 47 1.994 4.603 4.683 1.00 0.00 C ATOM 726 CG LEU A 47 2.310 4.093 3.270 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.979 5.185 2.253 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.795 3.739 3.150 1.00 0.00 C ATOM 0 H LEU A 47 1.499 4.642 7.215 1.00 0.00 H new ATOM 0 HA LEU A 47 2.660 2.670 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.915 4.634 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.362 5.622 4.800 1.00 0.00 H new ATOM 0 HG LEU A 47 1.712 3.202 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.202 4.826 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.921 5.437 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.578 6.071 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.003 3.379 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.398 4.625 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.043 2.961 3.872 1.00 0.00 H new ATOM 740 N GLN A 48 5.022 3.308 5.675 1.00 0.00 N ATOM 741 CA GLN A 48 6.422 3.639 5.885 1.00 0.00 C ATOM 742 C GLN A 48 7.199 3.472 4.587 1.00 0.00 C ATOM 743 O GLN A 48 7.080 2.454 3.907 1.00 0.00 O ATOM 744 CB GLN A 48 7.018 2.734 6.965 1.00 0.00 C ATOM 745 CG GLN A 48 7.127 3.506 8.281 1.00 0.00 C ATOM 746 CD GLN A 48 8.319 4.454 8.227 1.00 0.00 C ATOM 747 OE1 GLN A 48 9.463 4.022 8.365 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.120 5.728 8.025 1.00 0.00 N ATOM 0 H GLN A 48 4.859 2.390 5.261 1.00 0.00 H new ATOM 0 HA GLN A 48 6.492 4.677 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.392 1.852 7.100 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.002 2.382 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.211 4.069 8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.241 2.811 9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.171 6.084 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.913 6.367 7.981 1.00 0.00 H new ATOM 757 N VAL A 49 7.995 4.475 4.248 1.00 0.00 N ATOM 758 CA VAL A 49 8.782 4.410 3.026 1.00 0.00 C ATOM 759 C VAL A 49 10.208 4.006 3.335 1.00 0.00 C ATOM 760 O VAL A 49 10.832 4.539 4.251 1.00 0.00 O ATOM 761 CB VAL A 49 8.800 5.759 2.312 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.386 5.580 0.908 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.373 6.302 2.215 1.00 0.00 C ATOM 0 H VAL A 49 8.112 5.330 4.791 1.00 0.00 H new ATOM 0 HA VAL A 49 8.318 3.666 2.378 1.00 0.00 H new ATOM 0 HB VAL A 49 9.414 6.465 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.401 6.541 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.402 5.194 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.772 4.877 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.384 7.265 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.755 5.602 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.962 6.426 3.217 1.00 0.00 H new ATOM 773 N ILE A 50 10.728 3.075 2.555 1.00 0.00 N ATOM 774 CA ILE A 50 12.088 2.634 2.750 1.00 0.00 C ATOM 775 C ILE A 50 12.894 2.950 1.507 1.00 0.00 C ATOM 776 O ILE A 50 12.472 2.654 0.389 1.00 0.00 O ATOM 777 CB ILE A 50 12.123 1.136 3.032 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.092 0.820 4.119 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.521 0.754 3.521 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.182 -0.656 4.510 1.00 0.00 C ATOM 0 H ILE A 50 10.232 2.617 1.790 1.00 0.00 H new ATOM 0 HA ILE A 50 12.518 3.154 3.606 1.00 0.00 H new ATOM 0 HB ILE A 50 11.890 0.573 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.268 1.448 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.089 1.049 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.555 -0.316 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.255 1.001 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.751 1.305 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.446 -0.873 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.984 -1.277 3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.181 -0.872 4.889 1.00 0.00 H new ATOM 792 N ASN A 51 14.046 3.564 1.702 1.00 0.00 N ATOM 793 CA ASN A 51 14.884 3.926 0.579 1.00 0.00 C ATOM 794 C ASN A 51 15.652 2.701 0.095 1.00 0.00 C ATOM 795 O ASN A 51 16.545 2.204 0.784 1.00 0.00 O ATOM 796 CB ASN A 51 15.874 5.017 0.992 1.00 0.00 C ATOM 797 CG ASN A 51 15.448 6.361 0.413 1.00 0.00 C ATOM 798 OD1 ASN A 51 16.283 7.243 0.209 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.191 6.574 0.139 1.00 0.00 N ATOM 0 H ASN A 51 14.418 3.819 2.617 1.00 0.00 H new ATOM 0 HA ASN A 51 14.252 4.302 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.924 5.080 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.874 4.762 0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.898 7.472 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.501 5.842 0.309 1.00 0.00 H new ATOM 806 N VAL A 52 15.291 2.213 -1.083 1.00 0.00 N ATOM 807 CA VAL A 52 15.943 1.037 -1.647 1.00 0.00 C ATOM 808 C VAL A 52 17.445 1.261 -1.783 1.00 0.00 C ATOM 809 O VAL A 52 18.231 0.317 -1.697 1.00 0.00 O ATOM 810 CB VAL A 52 15.337 0.721 -3.012 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.837 0.461 -2.845 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.548 1.910 -3.957 1.00 0.00 C ATOM 0 H VAL A 52 14.554 2.610 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 52 15.784 0.195 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 52 15.820 -0.161 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.397 0.234 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.687 -0.384 -2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.358 1.347 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.115 1.682 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.064 2.794 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.615 2.100 -4.070 1.00 0.00 H new ATOM 822 N ALA A 53 17.837 2.511 -1.989 1.00 0.00 N ATOM 823 CA ALA A 53 19.246 2.845 -2.126 1.00 0.00 C ATOM 824 C ALA A 53 19.944 2.752 -0.778 1.00 0.00 C ATOM 825 O ALA A 53 21.171 2.794 -0.696 1.00 0.00 O ATOM 826 CB ALA A 53 19.392 4.264 -2.681 1.00 0.00 C ATOM 0 H ALA A 53 17.202 3.306 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 53 19.707 2.137 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.449 4.508 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.911 4.324 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.919 4.972 -2.000 1.00 0.00 H new ATOM 832 N ASP A 54 19.152 2.636 0.285 1.00 0.00 N ATOM 833 CA ASP A 54 19.710 2.551 1.622 1.00 0.00 C ATOM 834 C ASP A 54 19.874 1.099 2.056 1.00 0.00 C ATOM 835 O ASP A 54 20.842 0.753 2.734 1.00 0.00 O ATOM 836 CB ASP A 54 18.798 3.284 2.610 1.00 0.00 C ATOM 837 CG ASP A 54 18.805 4.780 2.312 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.643 5.204 1.532 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.971 5.479 2.864 1.00 0.00 O ATOM 0 H ASP A 54 18.134 2.599 0.243 1.00 0.00 H new ATOM 0 HA ASP A 54 20.694 3.020 1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.782 2.895 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.136 3.106 3.631 1.00 0.00 H new ATOM 844 N GLN A 55 18.922 0.254 1.672 1.00 0.00 N ATOM 845 CA GLN A 55 18.983 -1.150 2.047 1.00 0.00 C ATOM 846 C GLN A 55 18.466 -2.044 0.927 1.00 0.00 C ATOM 847 O GLN A 55 17.389 -2.631 1.032 1.00 0.00 O ATOM 848 CB GLN A 55 18.156 -1.364 3.310 1.00 0.00 C ATOM 849 CG GLN A 55 16.676 -1.128 3.001 1.00 0.00 C ATOM 850 CD GLN A 55 16.090 -0.153 4.014 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.267 1.059 3.886 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.401 -0.611 5.024 1.00 0.00 N ATOM 0 H GLN A 55 18.112 0.514 1.110 1.00 0.00 H new ATOM 0 HA GLN A 55 20.023 -1.418 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.302 -2.377 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.487 -0.683 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.564 -0.731 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.132 -2.072 3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.255 -1.615 5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.008 0.035 5.708 1.00 0.00 H new ATOM 861 N PRO A 56 19.219 -2.165 -0.131 1.00 0.00 N ATOM 862 CA PRO A 56 18.845 -3.015 -1.291 1.00 0.00 C ATOM 863 C PRO A 56 18.933 -4.497 -0.945 1.00 0.00 C ATOM 864 O PRO A 56 18.543 -5.358 -1.732 1.00 0.00 O ATOM 865 CB PRO A 56 19.852 -2.650 -2.388 1.00 0.00 C ATOM 866 CG PRO A 56 20.757 -1.592 -1.832 1.00 0.00 C ATOM 867 CD PRO A 56 20.512 -1.506 -0.327 1.00 0.00 C ATOM 0 HA PRO A 56 17.815 -2.842 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.426 -3.526 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.336 -2.286 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.800 -1.837 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.557 -0.631 -2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.302 -2.006 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.486 -0.471 0.013 1.00 0.00 H new ATOM 875 N GLN A 57 19.466 -4.780 0.239 1.00 0.00 N ATOM 876 CA GLN A 57 19.630 -6.157 0.697 1.00 0.00 C ATOM 877 C GLN A 57 18.295 -6.800 1.056 1.00 0.00 C ATOM 878 O GLN A 57 18.028 -7.937 0.665 1.00 0.00 O ATOM 879 CB GLN A 57 20.545 -6.177 1.920 1.00 0.00 C ATOM 880 CG GLN A 57 20.420 -7.524 2.634 1.00 0.00 C ATOM 881 CD GLN A 57 21.427 -7.603 3.776 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.558 -7.134 3.642 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.082 -8.167 4.901 1.00 0.00 N ATOM 0 H GLN A 57 19.792 -4.075 0.900 1.00 0.00 H new ATOM 0 HA GLN A 57 20.069 -6.731 -0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.578 -6.010 1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.278 -5.368 2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.408 -7.648 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.593 -8.337 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.145 -8.555 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.749 -8.220 5.671 1.00 0.00 H new ATOM 892 N LEU A 58 17.457 -6.085 1.797 1.00 0.00 N ATOM 893 CA LEU A 58 16.169 -6.636 2.174 1.00 0.00 C ATOM 894 C LEU A 58 15.268 -6.690 0.950 1.00 0.00 C ATOM 895 O LEU A 58 14.373 -7.530 0.852 1.00 0.00 O ATOM 896 CB LEU A 58 15.542 -5.796 3.293 1.00 0.00 C ATOM 897 CG LEU A 58 14.673 -4.684 2.705 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.370 -5.282 2.175 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.353 -3.664 3.801 1.00 0.00 C ATOM 0 H LEU A 58 17.643 -5.143 2.141 1.00 0.00 H new ATOM 0 HA LEU A 58 16.298 -7.649 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.939 -6.433 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.326 -5.363 3.914 1.00 0.00 H new ATOM 0 HG LEU A 58 15.206 -4.195 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.750 -4.490 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.595 -6.015 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.835 -5.768 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.733 -2.868 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.817 -4.157 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.281 -3.239 4.185 1.00 0.00 H new ATOM 911 N VAL A 59 15.529 -5.792 0.009 1.00 0.00 N ATOM 912 CA VAL A 59 14.760 -5.735 -1.224 1.00 0.00 C ATOM 913 C VAL A 59 14.940 -7.035 -2.011 1.00 0.00 C ATOM 914 O VAL A 59 13.968 -7.631 -2.474 1.00 0.00 O ATOM 915 CB VAL A 59 15.240 -4.539 -2.047 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.342 -4.362 -3.263 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.182 -3.276 -1.185 1.00 0.00 C ATOM 0 H VAL A 59 16.269 -5.093 0.078 1.00 0.00 H new ATOM 0 HA VAL A 59 13.700 -5.617 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 59 16.265 -4.713 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.686 -3.509 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.379 -5.262 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.317 -4.188 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.524 -2.421 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.156 -3.106 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.825 -3.400 -0.314 1.00 0.00 H new ATOM 927 N GLU A 60 16.186 -7.487 -2.136 1.00 0.00 N ATOM 928 CA GLU A 60 16.468 -8.732 -2.849 1.00 0.00 C ATOM 929 C GLU A 60 15.910 -9.921 -2.077 1.00 0.00 C ATOM 930 O GLU A 60 15.491 -10.915 -2.670 1.00 0.00 O ATOM 931 CB GLU A 60 17.979 -8.899 -3.035 1.00 0.00 C ATOM 932 CG GLU A 60 18.520 -7.755 -3.899 1.00 0.00 C ATOM 933 CD GLU A 60 20.006 -7.965 -4.171 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.567 -8.886 -3.601 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.559 -7.203 -4.946 1.00 0.00 O ATOM 0 H GLU A 60 17.008 -7.017 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 60 15.989 -8.689 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.477 -8.903 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.194 -9.858 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.972 -7.709 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.365 -6.802 -3.393 1.00 0.00 H new ATOM 942 N TYR A 61 15.891 -9.812 -0.751 1.00 0.00 N ATOM 943 CA TYR A 61 15.364 -10.889 0.079 1.00 0.00 C ATOM 944 C TYR A 61 13.943 -11.229 -0.352 1.00 0.00 C ATOM 945 O TYR A 61 13.571 -12.400 -0.442 1.00 0.00 O ATOM 946 CB TYR A 61 15.376 -10.474 1.550 1.00 0.00 C ATOM 947 CG TYR A 61 14.798 -11.586 2.390 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.597 -12.674 2.763 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.460 -11.529 2.795 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.055 -13.703 3.540 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.920 -12.558 3.572 1.00 0.00 C ATOM 952 CZ TYR A 61 13.716 -13.644 3.944 1.00 0.00 C ATOM 953 OH TYR A 61 13.183 -14.659 4.709 1.00 0.00 O ATOM 0 H TYR A 61 16.230 -9.000 -0.235 1.00 0.00 H new ATOM 0 HA TYR A 61 15.995 -11.769 -0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.395 -10.255 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.796 -9.561 1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.630 -12.718 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.844 -10.690 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.670 -14.543 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.887 -12.513 3.885 1.00 0.00 H new ATOM 0 HH TYR A 61 12.243 -14.463 4.904 1.00 0.00 H new ATOM 963 N TYR A 62 13.163 -10.197 -0.641 1.00 0.00 N ATOM 964 CA TYR A 62 11.793 -10.383 -1.091 1.00 0.00 C ATOM 965 C TYR A 62 11.778 -10.627 -2.589 1.00 0.00 C ATOM 966 O TYR A 62 10.743 -10.492 -3.241 1.00 0.00 O ATOM 967 CB TYR A 62 10.971 -9.132 -0.799 1.00 0.00 C ATOM 968 CG TYR A 62 10.719 -9.004 0.679 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.938 -9.956 1.341 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.258 -7.923 1.384 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.696 -9.828 2.713 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.015 -7.793 2.755 1.00 0.00 C ATOM 973 CZ TYR A 62 10.234 -8.747 3.420 1.00 0.00 C ATOM 974 OH TYR A 62 9.995 -8.621 4.774 1.00 0.00 O ATOM 0 H TYR A 62 13.457 -9.223 -0.572 1.00 0.00 H new ATOM 0 HA TYR A 62 11.367 -11.237 -0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.498 -8.250 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.022 -9.179 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.522 -10.789 0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.861 -7.189 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.094 -10.563 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.429 -6.958 3.301 1.00 0.00 H new ATOM 0 HH TYR A 62 10.442 -7.817 5.112 1.00 0.00 H new ATOM 984 N ARG A 63 12.945 -10.941 -3.138 1.00 0.00 N ATOM 985 CA ARG A 63 13.052 -11.146 -4.569 1.00 0.00 C ATOM 986 C ARG A 63 12.638 -9.863 -5.265 1.00 0.00 C ATOM 987 O ARG A 63 12.550 -9.795 -6.488 1.00 0.00 O ATOM 988 CB ARG A 63 12.158 -12.299 -5.018 1.00 0.00 C ATOM 989 CG ARG A 63 12.690 -13.610 -4.441 1.00 0.00 C ATOM 990 CD ARG A 63 11.922 -14.776 -5.053 1.00 0.00 C ATOM 991 NE ARG A 63 10.488 -14.596 -4.854 1.00 0.00 N ATOM 992 CZ ARG A 63 9.767 -15.486 -4.180 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.785 -15.487 -2.876 1.00 0.00 N ATOM 994 NH2 ARG A 63 9.042 -16.360 -4.821 1.00 0.00 N ATOM 0 H ARG A 63 13.816 -11.057 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 63 14.080 -11.401 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.134 -12.131 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.133 -12.352 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.755 -13.709 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.579 -13.615 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.142 -14.847 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.245 -15.712 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 63 10.030 -13.771 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.352 -14.805 -2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.232 -16.170 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.028 -16.361 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.489 -17.043 -4.302 1.00 0.00 H new ATOM 1008 N LEU A 64 12.390 -8.846 -4.447 1.00 0.00 N ATOM 1009 CA LEU A 64 11.994 -7.537 -4.937 1.00 0.00 C ATOM 1010 C LEU A 64 13.160 -6.907 -5.697 1.00 0.00 C ATOM 1011 O LEU A 64 14.279 -6.853 -5.193 1.00 0.00 O ATOM 1012 CB LEU A 64 11.602 -6.658 -3.736 1.00 0.00 C ATOM 1013 CG LEU A 64 10.724 -5.483 -4.172 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.505 -4.573 -5.113 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.479 -6.003 -4.883 1.00 0.00 C ATOM 0 H LEU A 64 12.458 -8.908 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 64 11.143 -7.627 -5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.069 -7.260 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.501 -6.282 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 64 10.426 -4.917 -3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.874 -3.739 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.388 -4.191 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.813 -5.138 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.858 -5.162 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.775 -6.577 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.913 -6.643 -4.205 1.00 0.00 H new ATOM 1027 N VAL A 65 12.901 -6.449 -6.912 1.00 0.00 N ATOM 1028 CA VAL A 65 13.949 -5.826 -7.717 1.00 0.00 C ATOM 1029 C VAL A 65 13.376 -4.700 -8.571 1.00 0.00 C ATOM 1030 O VAL A 65 14.113 -4.005 -9.274 1.00 0.00 O ATOM 1031 CB VAL A 65 14.622 -6.859 -8.625 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.939 -6.287 -9.146 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.907 -8.134 -7.832 1.00 0.00 C ATOM 0 H VAL A 65 11.986 -6.494 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 65 14.691 -5.414 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 65 13.962 -7.092 -9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.423 -7.019 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.742 -5.376 -9.712 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.594 -6.057 -8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.386 -8.867 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.568 -7.903 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.971 -8.543 -7.452 1.00 0.00 H new ATOM 1043 N VAL A 66 12.062 -4.521 -8.507 1.00 0.00 N ATOM 1044 CA VAL A 66 11.404 -3.483 -9.270 1.00 0.00 C ATOM 1045 C VAL A 66 10.940 -2.369 -8.347 1.00 0.00 C ATOM 1046 O VAL A 66 10.489 -2.624 -7.230 1.00 0.00 O ATOM 1047 CB VAL A 66 10.199 -4.074 -9.991 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.674 -5.037 -11.078 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.334 -4.836 -8.987 1.00 0.00 C ATOM 0 H VAL A 66 11.436 -5.085 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 66 12.107 -3.075 -9.996 1.00 0.00 H new ATOM 0 HB VAL A 66 9.618 -3.271 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.811 -5.459 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.296 -4.500 -11.794 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.254 -5.840 -10.624 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.470 -5.260 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.919 -5.638 -8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.994 -4.154 -8.208 1.00 0.00 H new ATOM 1059 N THR A 67 11.045 -1.137 -8.819 1.00 0.00 N ATOM 1060 CA THR A 67 10.624 0.002 -8.023 1.00 0.00 C ATOM 1061 C THR A 67 9.863 1.001 -8.892 1.00 0.00 C ATOM 1062 O THR A 67 10.137 1.125 -10.087 1.00 0.00 O ATOM 1063 CB THR A 67 11.844 0.672 -7.388 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.803 0.962 -8.395 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.458 -0.276 -6.353 1.00 0.00 C ATOM 0 H THR A 67 11.415 -0.902 -9.740 1.00 0.00 H new ATOM 0 HA THR A 67 9.960 -0.345 -7.231 1.00 0.00 H new ATOM 0 HB THR A 67 11.541 1.599 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.584 1.393 -7.989 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.328 0.197 -5.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.721 -0.499 -5.582 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.763 -1.201 -6.842 1.00 0.00 H new ATOM 1073 N PRO A 68 8.912 1.699 -8.328 1.00 0.00 N ATOM 1074 CA PRO A 68 8.548 1.580 -6.889 1.00 0.00 C ATOM 1075 C PRO A 68 7.781 0.294 -6.594 1.00 0.00 C ATOM 1076 O PRO A 68 7.232 -0.337 -7.498 1.00 0.00 O ATOM 1077 CB PRO A 68 7.673 2.811 -6.609 1.00 0.00 C ATOM 1078 CG PRO A 68 7.574 3.582 -7.892 1.00 0.00 C ATOM 1079 CD PRO A 68 8.075 2.679 -9.015 1.00 0.00 C ATOM 0 HA PRO A 68 9.435 1.539 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.684 2.510 -6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.112 3.425 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.544 3.887 -8.077 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.171 4.493 -7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.249 2.200 -9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.643 3.241 -9.756 1.00 0.00 H new ATOM 1087 N ALA A 69 7.757 -0.090 -5.324 1.00 0.00 N ATOM 1088 CA ALA A 69 7.064 -1.304 -4.917 1.00 0.00 C ATOM 1089 C ALA A 69 6.489 -1.138 -3.512 1.00 0.00 C ATOM 1090 O ALA A 69 7.081 -0.466 -2.667 1.00 0.00 O ATOM 1091 CB ALA A 69 8.033 -2.488 -4.936 1.00 0.00 C ATOM 0 H ALA A 69 8.207 0.419 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 69 6.249 -1.492 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.508 -3.393 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.427 -2.620 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.856 -2.296 -4.247 1.00 0.00 H new ATOM 1097 N LEU A 70 5.331 -1.748 -3.270 1.00 0.00 N ATOM 1098 CA LEU A 70 4.682 -1.654 -1.968 1.00 0.00 C ATOM 1099 C LEU A 70 4.523 -3.041 -1.361 1.00 0.00 C ATOM 1100 O LEU A 70 4.070 -3.969 -2.029 1.00 0.00 O ATOM 1101 CB LEU A 70 3.313 -0.991 -2.125 1.00 0.00 C ATOM 1102 CG LEU A 70 2.833 -0.472 -0.770 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.716 0.556 -0.983 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.303 -1.634 0.072 1.00 0.00 C ATOM 0 H LEU A 70 4.826 -2.310 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 70 5.300 -1.050 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.376 -0.169 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.595 -1.707 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 70 3.667 -0.002 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.373 0.926 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.095 1.388 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.884 0.086 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.962 -1.258 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.471 -2.109 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.098 -2.363 0.227 1.00 0.00 H new ATOM 1116 N VAL A 71 4.920 -3.187 -0.097 1.00 0.00 N ATOM 1117 CA VAL A 71 4.831 -4.486 0.557 1.00 0.00 C ATOM 1118 C VAL A 71 4.084 -4.414 1.890 1.00 0.00 C ATOM 1119 O VAL A 71 4.439 -3.634 2.775 1.00 0.00 O ATOM 1120 CB VAL A 71 6.241 -5.039 0.794 1.00 0.00 C ATOM 1121 CG1 VAL A 71 6.146 -6.484 1.289 1.00 0.00 C ATOM 1122 CG2 VAL A 71 7.046 -4.997 -0.515 1.00 0.00 C ATOM 0 H VAL A 71 5.298 -2.437 0.482 1.00 0.00 H new ATOM 0 HA VAL A 71 4.268 -5.146 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 71 6.744 -4.428 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.148 -6.877 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.583 -6.513 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.639 -7.092 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.047 -5.391 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.545 -5.603 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.118 -3.967 -0.865 1.00 0.00 H new ATOM 1132 N LYS A 72 3.067 -5.264 2.030 1.00 0.00 N ATOM 1133 CA LYS A 72 2.289 -5.330 3.263 1.00 0.00 C ATOM 1134 C LYS A 72 2.879 -6.391 4.181 1.00 0.00 C ATOM 1135 O LYS A 72 3.217 -7.487 3.735 1.00 0.00 O ATOM 1136 CB LYS A 72 0.830 -5.682 2.965 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.008 -5.466 4.229 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.254 -6.349 4.172 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.276 -5.862 5.200 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.470 -6.754 5.176 1.00 0.00 N ATOM 0 H LYS A 72 2.764 -5.915 1.305 1.00 0.00 H new ATOM 0 HA LYS A 72 2.325 -4.354 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.452 -5.061 2.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.753 -6.718 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.581 -5.707 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.296 -4.418 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.687 -6.320 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.986 -7.386 4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.832 -5.858 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.571 -4.836 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.035 -6.601 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.048 -6.538 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.161 -7.746 5.137 1.00 0.00 H new ATOM 1154 N ILE A 73 3.003 -6.069 5.460 1.00 0.00 N ATOM 1155 CA ILE A 73 3.557 -7.025 6.409 1.00 0.00 C ATOM 1156 C ILE A 73 2.481 -7.592 7.332 1.00 0.00 C ATOM 1157 O ILE A 73 2.678 -8.645 7.941 1.00 0.00 O ATOM 1158 CB ILE A 73 4.682 -6.379 7.224 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.449 -4.867 7.324 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.025 -6.651 6.544 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.152 -4.157 6.161 1.00 0.00 C ATOM 0 H ILE A 73 2.733 -5.170 5.860 1.00 0.00 H new ATOM 0 HA ILE A 73 3.970 -7.857 5.838 1.00 0.00 H new ATOM 0 HB ILE A 73 4.691 -6.805 8.227 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.381 -4.652 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.830 -4.493 8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.826 -6.192 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.191 -7.727 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.016 -6.229 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.984 -3.083 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.222 -4.361 6.204 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.751 -4.522 5.216 1.00 0.00 H new ATOM 1173 N GLY A 74 1.338 -6.915 7.430 1.00 0.00 N ATOM 1174 CA GLY A 74 0.261 -7.413 8.280 1.00 0.00 C ATOM 1175 C GLY A 74 -0.516 -6.275 8.933 1.00 0.00 C ATOM 1176 O GLY A 74 -0.301 -5.104 8.621 1.00 0.00 O ATOM 0 H GLY A 74 1.137 -6.041 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.419 -8.023 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.677 -8.060 9.053 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.422 -6.605 9.820 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.693 -8.018 10.208 1.00 0.00 C ATOM 1182 C PRO A 75 -2.208 -8.851 9.040 1.00 0.00 C ATOM 1183 O PRO A 75 -2.633 -8.310 8.019 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.750 -7.938 11.315 1.00 0.00 C ATOM 1185 CG PRO A 75 -3.055 -6.491 11.550 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.284 -5.655 10.529 1.00 0.00 C ATOM 0 HA PRO A 75 -0.778 -8.509 10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.652 -8.476 11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.383 -8.405 12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.126 -6.310 11.455 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.772 -6.205 12.563 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.963 -5.151 9.841 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.695 -4.880 11.020 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.166 -10.170 9.200 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.630 -11.072 8.155 1.00 0.00 C ATOM 1196 C GLY A 76 -1.466 -11.597 7.320 1.00 0.00 C ATOM 1197 O GLY A 76 -0.330 -11.669 7.790 1.00 0.00 O ATOM 0 H GLY A 76 -1.817 -10.635 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.165 -11.909 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.338 -10.551 7.510 1.00 0.00 H new ATOM 1201 N SER A 77 -1.765 -11.981 6.082 1.00 0.00 N ATOM 1202 CA SER A 77 -0.748 -12.516 5.184 1.00 0.00 C ATOM 1203 C SER A 77 0.121 -11.411 4.598 1.00 0.00 C ATOM 1204 O SER A 77 -0.245 -10.237 4.606 1.00 0.00 O ATOM 1205 CB SER A 77 -1.408 -13.287 4.044 1.00 0.00 C ATOM 1206 OG SER A 77 -0.467 -13.468 2.994 1.00 0.00 O ATOM 0 H SER A 77 -2.701 -11.932 5.679 1.00 0.00 H new ATOM 0 HA SER A 77 -0.114 -13.182 5.769 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.763 -14.254 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.279 -12.743 3.678 1.00 0.00 H new ATOM 0 HG SER A 77 -0.887 -13.964 2.261 1.00 0.00 H new ATOM 1212 N ARG A 78 1.272 -11.815 4.078 1.00 0.00 N ATOM 1213 CA ARG A 78 2.206 -10.878 3.467 1.00 0.00 C ATOM 1214 C ARG A 78 1.863 -10.691 1.991 1.00 0.00 C ATOM 1215 O ARG A 78 1.542 -11.655 1.296 1.00 0.00 O ATOM 1216 CB ARG A 78 3.630 -11.421 3.605 1.00 0.00 C ATOM 1217 CG ARG A 78 4.632 -10.398 3.069 1.00 0.00 C ATOM 1218 CD ARG A 78 6.054 -10.931 3.260 1.00 0.00 C ATOM 1219 NE ARG A 78 6.276 -12.094 2.409 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.011 -12.006 1.305 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.572 -11.325 0.284 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.167 -12.607 1.239 1.00 0.00 N ATOM 0 H ARG A 78 1.582 -12.787 4.067 1.00 0.00 H new ATOM 0 HA ARG A 78 2.134 -9.914 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.845 -11.640 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.726 -12.358 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.443 -10.206 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.514 -9.449 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.777 -10.152 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.212 -11.200 4.304 1.00 0.00 H new ATOM 0 HE ARG A 78 5.861 -12.990 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.665 -10.860 0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.135 -11.257 -0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.508 -13.145 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.730 -12.538 0.391 1.00 0.00 H new ATOM 1236 N GLN A 79 1.931 -9.451 1.518 1.00 0.00 N ATOM 1237 CA GLN A 79 1.621 -9.165 0.121 1.00 0.00 C ATOM 1238 C GLN A 79 2.671 -8.238 -0.480 1.00 0.00 C ATOM 1239 O GLN A 79 3.248 -7.406 0.219 1.00 0.00 O ATOM 1240 CB GLN A 79 0.244 -8.504 0.015 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.818 -9.424 0.614 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.160 -10.541 -0.367 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -0.266 -11.211 -0.884 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.409 -10.779 -0.660 1.00 0.00 N ATOM 0 H GLN A 79 2.195 -8.637 2.073 1.00 0.00 H new ATOM 0 HA GLN A 79 1.619 -10.106 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.248 -7.548 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.010 -8.294 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.455 -9.850 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.714 -8.851 0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.148 -10.223 -0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.646 -11.521 -1.318 1.00 0.00 H new ATOM 1253 N VAL A 80 2.912 -8.387 -1.779 1.00 0.00 N ATOM 1254 CA VAL A 80 3.896 -7.551 -2.457 1.00 0.00 C ATOM 1255 C VAL A 80 3.303 -6.937 -3.722 1.00 0.00 C ATOM 1256 O VAL A 80 2.868 -7.652 -4.626 1.00 0.00 O ATOM 1257 CB VAL A 80 5.122 -8.393 -2.823 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.197 -7.492 -3.437 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.677 -9.062 -1.561 1.00 0.00 C ATOM 0 H VAL A 80 2.446 -9.070 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 80 4.190 -6.746 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 80 4.834 -9.158 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.069 -8.092 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.803 -7.016 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.485 -6.726 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.550 -9.661 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.964 -8.297 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.913 -9.704 -1.124 1.00 0.00 H new ATOM 1269 N LEU A 81 3.295 -5.610 -3.780 1.00 0.00 N ATOM 1270 CA LEU A 81 2.761 -4.910 -4.942 1.00 0.00 C ATOM 1271 C LEU A 81 3.855 -4.077 -5.596 1.00 0.00 C ATOM 1272 O LEU A 81 4.575 -3.350 -4.914 1.00 0.00 O ATOM 1273 CB LEU A 81 1.615 -3.994 -4.518 1.00 0.00 C ATOM 1274 CG LEU A 81 0.747 -4.688 -3.465 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.277 -3.690 -2.932 1.00 0.00 C ATOM 1276 CD2 LEU A 81 0.004 -5.876 -4.086 1.00 0.00 C ATOM 0 H LEU A 81 3.649 -5.001 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 81 2.391 -5.647 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.014 -3.063 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.009 -3.732 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 81 1.386 -5.048 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.901 -4.175 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.241 -2.843 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.903 -3.339 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.609 -6.360 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.634 -5.523 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.726 -6.592 -4.479 1.00 0.00 H new ATOM 1288 N SER A 82 3.984 -4.174 -6.915 1.00 0.00 N ATOM 1289 CA SER A 82 5.006 -3.402 -7.610 1.00 0.00 C ATOM 1290 C SER A 82 4.686 -3.228 -9.086 1.00 0.00 C ATOM 1291 O SER A 82 3.797 -3.880 -9.633 1.00 0.00 O ATOM 1292 CB SER A 82 6.370 -4.071 -7.472 1.00 0.00 C ATOM 1293 OG SER A 82 7.316 -3.363 -8.260 1.00 0.00 O ATOM 0 H SER A 82 3.407 -4.766 -7.513 1.00 0.00 H new ATOM 0 HA SER A 82 5.026 -2.417 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.681 -4.079 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.314 -5.110 -7.796 1.00 0.00 H new ATOM 0 HG SER A 82 7.501 -2.494 -7.847 1.00 0.00 H new ATOM 1299 N GLY A 83 5.445 -2.341 -9.719 1.00 0.00 N ATOM 1300 CA GLY A 83 5.276 -2.067 -11.145 1.00 0.00 C ATOM 1301 C GLY A 83 4.286 -0.930 -11.384 1.00 0.00 C ATOM 1302 O GLY A 83 3.325 -1.080 -12.140 1.00 0.00 O ATOM 0 H GLY A 83 6.183 -1.799 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.240 -1.809 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.926 -2.967 -11.650 1.00 0.00 H new ATOM 1306 N ILE A 84 4.535 0.202 -10.734 1.00 0.00 N ATOM 1307 CA ILE A 84 3.674 1.381 -10.861 1.00 0.00 C ATOM 1308 C ILE A 84 2.190 1.002 -10.847 1.00 0.00 C ATOM 1309 O ILE A 84 1.324 1.859 -11.027 1.00 0.00 O ATOM 1310 CB ILE A 84 4.007 2.159 -12.147 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.453 1.429 -13.376 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.526 2.300 -12.288 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.636 2.313 -14.612 1.00 0.00 C ATOM 0 H ILE A 84 5.331 0.332 -10.109 1.00 0.00 H new ATOM 0 HA ILE A 84 3.867 2.019 -9.998 1.00 0.00 H new ATOM 0 HB ILE A 84 3.548 3.146 -12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.970 0.479 -13.514 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.397 1.199 -13.232 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.757 2.851 -13.199 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.923 2.839 -11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.980 1.310 -12.337 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.243 1.798 -15.489 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.099 3.251 -14.471 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.696 2.520 -14.757 1.00 0.00 H new ATOM 1325 N ASP A 85 1.900 -0.277 -10.624 1.00 0.00 N ATOM 1326 CA ASP A 85 0.515 -0.740 -10.578 1.00 0.00 C ATOM 1327 C ASP A 85 0.062 -0.920 -9.132 1.00 0.00 C ATOM 1328 O ASP A 85 -1.041 -1.401 -8.866 1.00 0.00 O ATOM 1329 CB ASP A 85 0.375 -2.060 -11.341 1.00 0.00 C ATOM 1330 CG ASP A 85 1.230 -3.140 -10.688 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.619 -2.953 -9.547 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.484 -4.141 -11.340 1.00 0.00 O ATOM 0 H ASP A 85 2.598 -1.006 -10.474 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.118 0.011 -11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.669 -2.372 -11.354 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.680 -1.923 -12.378 1.00 0.00 H new ATOM 1337 N LEU A 86 0.927 -0.521 -8.208 1.00 0.00 N ATOM 1338 CA LEU A 86 0.634 -0.625 -6.783 1.00 0.00 C ATOM 1339 C LEU A 86 -0.740 -0.043 -6.473 1.00 0.00 C ATOM 1340 O LEU A 86 -1.460 -0.557 -5.622 1.00 0.00 O ATOM 1341 CB LEU A 86 1.686 0.149 -5.986 1.00 0.00 C ATOM 1342 CG LEU A 86 3.070 -0.085 -6.591 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.365 0.972 -7.656 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.123 0.009 -5.492 1.00 0.00 C ATOM 0 H LEU A 86 1.841 -0.121 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 86 0.648 -1.679 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.451 1.213 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.675 -0.172 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 86 3.094 -1.074 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.353 0.795 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.616 0.912 -8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.336 1.963 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.112 -0.157 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.087 0.999 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.925 -0.747 -4.732 1.00 0.00 H new ATOM 1356 N THR A 87 -1.093 1.042 -7.156 1.00 0.00 N ATOM 1357 CA THR A 87 -2.382 1.685 -6.923 1.00 0.00 C ATOM 1358 C THR A 87 -3.524 0.766 -7.342 1.00 0.00 C ATOM 1359 O THR A 87 -4.518 0.635 -6.627 1.00 0.00 O ATOM 1360 CB THR A 87 -2.461 3.007 -7.696 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.282 2.752 -9.082 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.367 3.961 -7.207 1.00 0.00 C ATOM 0 H THR A 87 -0.513 1.490 -7.866 1.00 0.00 H new ATOM 0 HA THR A 87 -2.476 1.891 -5.857 1.00 0.00 H new ATOM 0 HB THR A 87 -3.436 3.465 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.334 3.595 -9.579 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.428 4.898 -7.760 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.504 4.157 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.389 3.507 -7.369 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.369 0.111 -8.486 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.387 -0.812 -8.958 1.00 0.00 C ATOM 1372 C ASP A 88 -4.348 -2.064 -8.099 1.00 0.00 C ATOM 1373 O ASP A 88 -5.380 -2.597 -7.688 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.114 -1.179 -10.417 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.278 0.048 -11.306 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.839 1.024 -10.837 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.836 -0.006 -12.442 1.00 0.00 O ATOM 0 H ASP A 88 -2.557 0.202 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.370 -0.346 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.104 -1.578 -10.517 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.800 -1.964 -10.737 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.131 -2.506 -7.822 1.00 0.00 N ATOM 1383 CA GLN A 89 -2.907 -3.680 -6.998 1.00 0.00 C ATOM 1384 C GLN A 89 -3.361 -3.430 -5.565 1.00 0.00 C ATOM 1385 O GLN A 89 -4.108 -4.222 -4.995 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.414 -4.007 -7.016 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.032 -4.587 -8.379 1.00 0.00 C ATOM 1388 CD GLN A 89 0.428 -5.021 -8.365 1.00 0.00 C ATOM 1389 OE1 GLN A 89 1.058 -5.055 -7.309 1.00 0.00 O ATOM 1390 NE2 GLN A 89 1.011 -5.353 -9.484 1.00 0.00 N ATOM 0 H GLN A 89 -2.277 -2.063 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.484 -4.515 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.832 -3.107 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.178 -4.721 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.671 -5.438 -8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.192 -3.843 -9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.488 -5.325 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.990 -5.641 -9.483 1.00 0.00 H new ATOM 1399 N LEU A 90 -2.920 -2.316 -4.991 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.300 -1.980 -3.627 1.00 0.00 C ATOM 1401 C LEU A 90 -4.815 -1.941 -3.493 1.00 0.00 C ATOM 1402 O LEU A 90 -5.384 -2.517 -2.567 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.717 -0.623 -3.244 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.151 -0.267 -1.825 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.506 -1.238 -0.835 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.705 1.159 -1.507 1.00 0.00 C ATOM 0 H LEU A 90 -2.306 -1.639 -5.444 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.906 -2.745 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.629 -0.651 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.057 0.141 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.236 -0.338 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.816 -0.984 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.821 -2.256 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.421 -1.168 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.012 1.419 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.620 1.227 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.164 1.850 -2.214 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.461 -1.262 -4.432 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.911 -1.158 -4.420 1.00 0.00 C ATOM 1420 C ALA A 91 -7.536 -2.547 -4.475 1.00 0.00 C ATOM 1421 O ALA A 91 -8.625 -2.771 -3.948 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.387 -0.331 -5.614 1.00 0.00 C ATOM 0 H ALA A 91 -5.006 -0.778 -5.206 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.219 -0.665 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.474 -0.259 -5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.956 0.669 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.070 -0.812 -6.539 1.00 0.00 H new ATOM 1428 N ASN A 92 -6.836 -3.476 -5.123 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.320 -4.841 -5.248 1.00 0.00 C ATOM 1430 C ASN A 92 -7.078 -5.622 -3.967 1.00 0.00 C ATOM 1431 O ASN A 92 -7.927 -6.395 -3.527 1.00 0.00 O ATOM 1432 CB ASN A 92 -6.592 -5.537 -6.395 1.00 0.00 C ATOM 1433 CG ASN A 92 -6.959 -4.883 -7.722 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.971 -4.186 -7.812 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -6.196 -5.063 -8.766 1.00 0.00 N ATOM 0 H ASN A 92 -5.934 -3.305 -5.567 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.392 -4.807 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.515 -5.482 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.857 -6.594 -6.416 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.438 -4.627 -9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.358 -5.640 -8.692 1.00 0.00 H new ATOM 1442 N GLN A 93 -5.898 -5.439 -3.390 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.544 -6.152 -2.180 1.00 0.00 C ATOM 1444 C GLN A 93 -6.191 -5.527 -0.950 1.00 0.00 C ATOM 1445 O GLN A 93 -6.518 -6.225 0.009 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.031 -6.156 -2.009 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.371 -6.650 -3.298 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.315 -7.546 -4.091 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.656 -7.232 -5.231 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.766 -8.642 -3.556 1.00 0.00 N ATOM 0 H GLN A 93 -5.178 -4.807 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.913 -7.173 -2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.679 -5.153 -1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.751 -6.799 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.076 -5.797 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.461 -7.199 -3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.483 -8.902 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.402 -9.242 -4.081 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.364 -4.211 -0.977 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.962 -3.518 0.155 1.00 0.00 C ATOM 1461 C LEU A 94 -8.296 -4.159 0.547 1.00 0.00 C ATOM 1462 O LEU A 94 -8.463 -4.578 1.692 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.142 -2.032 -0.167 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.061 -1.389 0.872 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.507 -1.654 2.274 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.125 0.122 0.627 1.00 0.00 C ATOM 0 H LEU A 94 -6.103 -3.610 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.289 -3.606 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.174 -1.531 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.566 -1.915 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.061 -1.815 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.161 -1.196 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.457 -2.729 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.508 -1.226 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.780 0.583 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.125 0.547 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.516 0.312 -0.373 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.240 -4.270 -0.360 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.551 -4.905 -0.053 1.00 0.00 C ATOM 1480 C PRO A 95 -10.363 -6.248 0.648 1.00 0.00 C ATOM 1481 O PRO A 95 -10.996 -6.524 1.667 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.221 -5.113 -1.418 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.269 -4.608 -2.460 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.181 -3.804 -1.750 1.00 0.00 C ATOM 0 HA PRO A 95 -11.148 -4.286 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.445 -6.167 -1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.167 -4.575 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.831 -5.440 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.792 -3.985 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.200 -3.985 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.368 -2.732 -1.819 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.482 -7.079 0.094 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.212 -8.389 0.674 1.00 0.00 C ATOM 1494 C GLN A 96 -8.668 -8.234 2.089 1.00 0.00 C ATOM 1495 O GLN A 96 -8.948 -9.051 2.967 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.201 -9.150 -0.186 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.803 -9.409 -1.568 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.817 -10.185 -2.434 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.615 -9.920 -2.396 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.255 -11.141 -3.207 1.00 0.00 N ATOM 0 H GLN A 96 -8.948 -6.869 -0.749 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.145 -8.952 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.281 -8.574 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.939 -10.094 0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.732 -9.971 -1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.053 -8.462 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.251 -11.358 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.601 -11.672 -3.782 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.893 -7.177 2.301 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.318 -6.920 3.617 1.00 0.00 C ATOM 1511 C TRP A 97 -8.423 -6.636 4.625 1.00 0.00 C ATOM 1512 O TRP A 97 -8.333 -7.022 5.790 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.372 -5.722 3.552 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.287 -5.996 2.566 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.118 -7.158 1.890 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.217 -5.109 2.133 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.012 -7.038 1.066 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.422 -5.793 1.182 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.864 -3.792 2.469 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.314 -5.188 0.587 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.751 -3.180 1.873 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.977 -3.877 0.934 1.00 0.00 C ATOM 0 H TRP A 97 -7.650 -6.490 1.587 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.761 -7.803 3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.922 -4.826 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.944 -5.530 4.536 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.743 -8.034 1.979 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.674 -7.777 0.449 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.453 -3.246 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.722 -5.729 -0.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.489 -2.167 2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.121 -3.401 0.479 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.466 -5.957 4.164 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.593 -5.628 5.019 1.00 0.00 C ATOM 1535 C LEU A 98 -11.563 -6.802 5.108 1.00 0.00 C ATOM 1536 O LEU A 98 -12.113 -7.092 6.170 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.324 -4.414 4.452 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.379 -3.212 4.410 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.137 -1.983 3.901 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.845 -2.937 5.819 1.00 0.00 C ATOM 0 H LEU A 98 -9.552 -5.625 3.203 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.218 -5.406 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.691 -4.635 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.194 -4.183 5.066 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.546 -3.426 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.463 -1.127 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.518 -2.180 2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.970 -1.766 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.171 -2.081 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.678 -2.722 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.305 -3.812 6.181 1.00 0.00 H new