USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 94 MET CE :methyl -111:sc= -0.482 (180deg=-3.17!) USER MOD Set 1.2: A 105 CYS SG : rot -130:sc= -1.8! USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0.212 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -0.457 (180deg=-1.65!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.15 (180deg=-0.545) USER MOD Single : A 18 THR OG1 : rot -34:sc= 1.03 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 25 ASN : amide:sc= -4.55! C(o=-4.5!,f=-12!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 109:sc= -0.833 USER MOD Single : A 34 TYR OH : rot 103:sc= 0.883 USER MOD Single : A 35 SER OG : rot 180:sc= -0.614 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.0098) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.763 F(o=-3.1!,f=-0.76) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= -0.226 (180deg=-1.02) USER MOD Single : A 45 THR OG1 : rot -11:sc= -3.57! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0337 F(o=-0.69,f=-0.034) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 53 SER OG : rot 180:sc= -2.42! USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.365 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -156:sc= 0 (180deg=-0.0601) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.873 F(o=-4!,f=-0.87) USER MOD Single : A 104 CYS SG : rot -115:sc= -1.87 USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.100 8.141 -8.660 1.00 0.00 N ATOM 113 CA LYS A 9 -2.955 7.257 -8.461 1.00 0.00 C ATOM 114 C LYS A 9 -2.696 6.992 -6.979 1.00 0.00 C ATOM 115 O LYS A 9 -2.251 7.875 -6.239 1.00 0.00 O ATOM 116 CB LYS A 9 -1.704 7.845 -9.114 1.00 0.00 C ATOM 117 CG LYS A 9 -0.934 6.838 -9.955 1.00 0.00 C ATOM 118 CD LYS A 9 0.554 7.144 -9.973 1.00 0.00 C ATOM 119 CE LYS A 9 1.375 5.927 -9.579 1.00 0.00 C ATOM 120 NZ LYS A 9 2.775 6.292 -9.229 1.00 0.00 N ATOM 0 HA LYS A 9 -3.193 6.305 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.993 8.688 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.047 8.237 -8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.095 5.835 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.320 6.845 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.847 7.475 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.766 7.965 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.905 5.432 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.381 5.211 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.107 5.687 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.387 6.156 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.810 7.288 -8.932 1.00 0.00 H new ATOM 134 N ALA A 10 -2.981 5.770 -6.549 1.00 0.00 N ATOM 135 CA ALA A 10 -2.780 5.388 -5.162 1.00 0.00 C ATOM 136 C ALA A 10 -1.300 5.169 -4.865 1.00 0.00 C ATOM 137 O ALA A 10 -0.798 4.056 -4.971 1.00 0.00 O ATOM 138 CB ALA A 10 -3.580 4.138 -4.834 1.00 0.00 C ATOM 0 H ALA A 10 -3.352 5.028 -7.142 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.134 6.203 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.418 3.866 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.640 4.331 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.256 3.320 -5.477 1.00 0.00 H new ATOM 144 N ILE A 11 -0.605 6.242 -4.493 1.00 0.00 N ATOM 145 CA ILE A 11 0.818 6.162 -4.188 1.00 0.00 C ATOM 146 C ILE A 11 1.081 6.203 -2.686 1.00 0.00 C ATOM 147 O ILE A 11 0.837 7.216 -2.030 1.00 0.00 O ATOM 148 CB ILE A 11 1.601 7.311 -4.855 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.355 7.320 -6.364 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.089 7.185 -4.556 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.295 8.711 -6.956 1.00 0.00 C ATOM 0 H ILE A 11 -1.005 7.175 -4.396 1.00 0.00 H new ATOM 0 HA ILE A 11 1.160 5.206 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 11 1.246 8.256 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.148 6.758 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.419 6.803 -6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.627 8.004 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.248 7.226 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.458 6.234 -4.941 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.118 8.642 -8.029 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.484 9.270 -6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.240 9.224 -6.776 1.00 0.00 H new ATOM 163 N PHE A 12 1.603 5.101 -2.152 1.00 0.00 N ATOM 164 CA PHE A 12 1.930 5.011 -0.734 1.00 0.00 C ATOM 165 C PHE A 12 3.425 4.772 -0.562 1.00 0.00 C ATOM 166 O PHE A 12 3.927 3.691 -0.876 1.00 0.00 O ATOM 167 CB PHE A 12 1.154 3.870 -0.071 1.00 0.00 C ATOM 168 CG PHE A 12 -0.209 4.259 0.433 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.310 4.218 -0.404 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.388 4.656 1.751 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.566 4.565 0.060 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.640 5.006 2.222 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.731 4.960 1.373 1.00 0.00 C ATOM 0 H PHE A 12 1.809 4.255 -2.684 1.00 0.00 H new ATOM 0 HA PHE A 12 1.651 5.950 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.045 3.056 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.740 3.484 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.187 3.911 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.461 4.692 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.417 4.527 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.766 5.314 3.249 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.711 5.233 1.736 1.00 0.00 H new ATOM 183 N THR A 13 4.138 5.781 -0.073 1.00 0.00 N ATOM 184 CA THR A 13 5.579 5.663 0.125 1.00 0.00 C ATOM 185 C THR A 13 5.912 5.247 1.551 1.00 0.00 C ATOM 186 O THR A 13 5.527 5.916 2.508 1.00 0.00 O ATOM 187 CB THR A 13 6.306 6.981 -0.196 1.00 0.00 C ATOM 188 OG1 THR A 13 5.678 7.632 -1.306 1.00 0.00 O ATOM 189 CG2 THR A 13 7.767 6.718 -0.516 1.00 0.00 C ATOM 0 H THR A 13 3.745 6.684 0.192 1.00 0.00 H new ATOM 0 HA THR A 13 5.923 4.891 -0.564 1.00 0.00 H new ATOM 0 HB THR A 13 6.248 7.628 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.147 8.470 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.266 7.661 -0.741 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.248 6.248 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.837 6.056 -1.379 1.00 0.00 H new ATOM 197 N VAL A 14 6.622 4.129 1.681 1.00 0.00 N ATOM 198 CA VAL A 14 7.007 3.606 2.990 1.00 0.00 C ATOM 199 C VAL A 14 8.432 3.058 2.967 1.00 0.00 C ATOM 200 O VAL A 14 9.067 3.001 1.916 1.00 0.00 O ATOM 201 CB VAL A 14 6.048 2.483 3.454 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.634 2.746 2.967 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.525 1.120 2.969 1.00 0.00 C ATOM 0 H VAL A 14 6.943 3.566 0.893 1.00 0.00 H new ATOM 0 HA VAL A 14 6.949 4.439 3.691 1.00 0.00 H new ATOM 0 HB VAL A 14 6.046 2.478 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.978 1.944 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.282 3.696 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.626 2.787 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.833 0.350 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.566 1.115 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.518 0.918 3.370 1.00 0.00 H new ATOM 213 N ASP A 15 8.915 2.639 4.131 1.00 0.00 N ATOM 214 CA ASP A 15 10.251 2.066 4.252 1.00 0.00 C ATOM 215 C ASP A 15 10.176 0.556 4.027 1.00 0.00 C ATOM 216 O ASP A 15 9.131 -0.050 4.246 1.00 0.00 O ATOM 217 CB ASP A 15 10.834 2.371 5.635 1.00 0.00 C ATOM 218 CG ASP A 15 12.049 1.523 5.961 1.00 0.00 C ATOM 219 OD1 ASP A 15 12.912 1.350 5.074 1.00 0.00 O ATOM 220 OD2 ASP A 15 12.139 1.035 7.105 1.00 0.00 O ATOM 0 H ASP A 15 8.398 2.686 5.009 1.00 0.00 H new ATOM 0 HA ASP A 15 10.904 2.509 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.108 3.425 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.067 2.205 6.392 1.00 0.00 H new ATOM 225 N ALA A 16 11.265 -0.050 3.572 1.00 0.00 N ATOM 226 CA ALA A 16 11.268 -1.485 3.313 1.00 0.00 C ATOM 227 C ALA A 16 11.654 -2.285 4.548 1.00 0.00 C ATOM 228 O ALA A 16 11.298 -3.457 4.666 1.00 0.00 O ATOM 229 CB ALA A 16 12.197 -1.810 2.154 1.00 0.00 C ATOM 0 H ALA A 16 12.148 0.422 3.376 1.00 0.00 H new ATOM 0 HA ALA A 16 10.251 -1.773 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.189 -2.885 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.859 -1.288 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.210 -1.491 2.399 1.00 0.00 H new ATOM 235 N LYS A 17 12.371 -1.658 5.466 1.00 0.00 N ATOM 236 CA LYS A 17 12.778 -2.344 6.682 1.00 0.00 C ATOM 237 C LYS A 17 11.558 -2.650 7.546 1.00 0.00 C ATOM 238 O LYS A 17 11.204 -3.810 7.755 1.00 0.00 O ATOM 239 CB LYS A 17 13.778 -1.492 7.464 1.00 0.00 C ATOM 240 CG LYS A 17 14.696 -2.302 8.366 1.00 0.00 C ATOM 241 CD LYS A 17 14.552 -1.888 9.822 1.00 0.00 C ATOM 242 CE LYS A 17 13.344 -2.543 10.471 1.00 0.00 C ATOM 243 NZ LYS A 17 13.486 -4.025 10.538 1.00 0.00 N ATOM 0 H LYS A 17 12.680 -0.689 5.395 1.00 0.00 H new ATOM 0 HA LYS A 17 13.260 -3.283 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.385 -0.922 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.231 -0.770 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.466 -3.362 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.730 -2.168 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.454 -2.162 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.457 -0.804 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.212 -2.145 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.446 -2.289 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.892 -4.396 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.185 -4.444 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.480 -4.271 10.719 1.00 0.00 H new ATOM 257 N THR A 18 10.943 -1.595 8.071 1.00 0.00 N ATOM 258 CA THR A 18 9.786 -1.765 8.944 1.00 0.00 C ATOM 259 C THR A 18 8.482 -1.253 8.346 1.00 0.00 C ATOM 260 O THR A 18 7.438 -1.332 8.995 1.00 0.00 O ATOM 261 CB THR A 18 10.010 -1.109 10.319 1.00 0.00 C ATOM 262 OG1 THR A 18 8.917 -1.418 11.192 1.00 0.00 O ATOM 263 CG2 THR A 18 10.150 0.400 10.187 1.00 0.00 C ATOM 0 H THR A 18 11.221 -0.627 7.911 1.00 0.00 H new ATOM 0 HA THR A 18 9.685 -2.844 9.064 1.00 0.00 H new ATOM 0 HB THR A 18 10.935 -1.506 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.089 -1.475 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.307 0.838 11.172 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.001 0.632 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.242 0.813 9.747 1.00 0.00 H new ATOM 271 N THR A 19 8.546 -0.713 7.136 1.00 0.00 N ATOM 272 CA THR A 19 7.363 -0.168 6.466 1.00 0.00 C ATOM 273 C THR A 19 7.077 1.247 6.962 1.00 0.00 C ATOM 274 O THR A 19 7.835 2.168 6.664 1.00 0.00 O ATOM 275 CB THR A 19 6.113 -1.060 6.655 1.00 0.00 C ATOM 276 OG1 THR A 19 6.494 -2.441 6.700 1.00 0.00 O ATOM 277 CG2 THR A 19 5.113 -0.848 5.529 1.00 0.00 C ATOM 0 H THR A 19 9.406 -0.639 6.593 1.00 0.00 H new ATOM 0 HA THR A 19 7.584 -0.143 5.399 1.00 0.00 H new ATOM 0 HB THR A 19 5.641 -0.779 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.696 -2.997 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.245 -1.488 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.797 0.195 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.579 -1.099 4.576 1.00 0.00 H new ATOM 285 N GLU A 20 5.996 1.424 7.723 1.00 0.00 N ATOM 286 CA GLU A 20 5.641 2.743 8.244 1.00 0.00 C ATOM 287 C GLU A 20 5.533 3.751 7.104 1.00 0.00 C ATOM 288 O GLU A 20 6.535 4.313 6.660 1.00 0.00 O ATOM 289 CB GLU A 20 6.681 3.212 9.265 1.00 0.00 C ATOM 290 CG GLU A 20 6.104 4.094 10.361 1.00 0.00 C ATOM 291 CD GLU A 20 6.526 5.544 10.221 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.293 6.129 9.144 1.00 0.00 O ATOM 293 OE2 GLU A 20 7.090 6.093 11.192 1.00 0.00 O ATOM 0 H GLU A 20 5.356 0.676 7.990 1.00 0.00 H new ATOM 0 HA GLU A 20 4.673 2.669 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.149 2.340 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.467 3.760 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.016 4.032 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.425 3.718 11.332 1.00 0.00 H new ATOM 300 N ILE A 21 4.314 3.960 6.621 1.00 0.00 N ATOM 301 CA ILE A 21 4.077 4.878 5.511 1.00 0.00 C ATOM 302 C ILE A 21 4.634 6.268 5.786 1.00 0.00 C ATOM 303 O ILE A 21 4.121 6.998 6.636 1.00 0.00 O ATOM 304 CB ILE A 21 2.580 5.020 5.181 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.811 3.752 5.558 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.401 5.329 3.704 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.536 4.029 6.324 1.00 0.00 C ATOM 0 H ILE A 21 3.474 3.507 6.980 1.00 0.00 H new ATOM 0 HA ILE A 21 4.597 4.437 4.660 1.00 0.00 H new ATOM 0 HB ILE A 21 2.176 5.844 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.568 3.200 4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.455 3.110 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.339 5.428 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.911 6.261 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.824 4.520 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.041 3.087 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.774 4.555 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.127 4.645 5.717 1.00 0.00 H new ATOM 319 N LEU A 22 5.668 6.636 5.039 1.00 0.00 N ATOM 320 CA LEU A 22 6.276 7.949 5.177 1.00 0.00 C ATOM 321 C LEU A 22 5.231 9.022 4.888 1.00 0.00 C ATOM 322 O LEU A 22 4.868 9.799 5.769 1.00 0.00 O ATOM 323 CB LEU A 22 7.473 8.100 4.231 1.00 0.00 C ATOM 324 CG LEU A 22 8.269 6.818 3.969 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.353 7.067 2.934 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.876 6.291 5.261 1.00 0.00 C ATOM 0 H LEU A 22 6.101 6.042 4.332 1.00 0.00 H new ATOM 0 HA LEU A 22 6.641 8.064 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.114 8.486 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.149 8.849 4.644 1.00 0.00 H new ATOM 0 HG LEU A 22 7.586 6.064 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.909 6.146 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.896 7.397 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.033 7.838 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.438 5.380 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.545 7.042 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.081 6.073 5.974 1.00 0.00 H new ATOM 338 N VAL A 23 4.740 9.051 3.647 1.00 0.00 N ATOM 339 CA VAL A 23 3.724 10.011 3.242 1.00 0.00 C ATOM 340 C VAL A 23 2.857 9.442 2.121 1.00 0.00 C ATOM 341 O VAL A 23 3.217 8.452 1.484 1.00 0.00 O ATOM 342 CB VAL A 23 4.340 11.341 2.754 1.00 0.00 C ATOM 343 CG1 VAL A 23 5.523 11.759 3.615 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.744 11.253 1.287 1.00 0.00 C ATOM 0 H VAL A 23 5.035 8.415 2.906 1.00 0.00 H new ATOM 0 HA VAL A 23 3.118 10.207 4.126 1.00 0.00 H new ATOM 0 HB VAL A 23 3.572 12.109 2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.931 12.699 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.194 11.890 4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.293 10.988 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.174 12.203 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.481 10.460 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.866 11.033 0.680 1.00 0.00 H new ATOM 354 N ALA A 24 1.727 10.093 1.872 1.00 0.00 N ATOM 355 CA ALA A 24 0.818 9.679 0.810 1.00 0.00 C ATOM 356 C ALA A 24 0.292 10.904 0.073 1.00 0.00 C ATOM 357 O ALA A 24 0.188 11.986 0.651 1.00 0.00 O ATOM 358 CB ALA A 24 -0.331 8.852 1.361 1.00 0.00 C ATOM 0 H ALA A 24 1.417 10.913 2.394 1.00 0.00 H new ATOM 0 HA ALA A 24 1.369 9.052 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.992 8.558 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.063 7.960 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.890 9.444 2.086 1.00 0.00 H new ATOM 364 N ASN A 25 -0.006 10.744 -1.207 1.00 0.00 N ATOM 365 CA ASN A 25 -0.480 11.859 -2.012 1.00 0.00 C ATOM 366 C ASN A 25 -1.999 12.031 -1.947 1.00 0.00 C ATOM 367 O ASN A 25 -2.712 11.227 -1.347 1.00 0.00 O ATOM 368 CB ASN A 25 -0.035 11.695 -3.467 1.00 0.00 C ATOM 369 CG ASN A 25 -0.525 10.399 -4.084 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.521 9.348 -3.442 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.946 10.467 -5.340 1.00 0.00 N ATOM 0 H ASN A 25 0.071 9.859 -1.708 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.035 12.761 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.406 12.535 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.053 11.728 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.284 9.628 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.932 11.359 -5.835 1.00 0.00 H new ATOM 378 N ASP A 26 -2.464 13.110 -2.572 1.00 0.00 N ATOM 379 CA ASP A 26 -3.884 13.456 -2.609 1.00 0.00 C ATOM 380 C ASP A 26 -4.689 12.478 -3.456 1.00 0.00 C ATOM 381 O ASP A 26 -5.918 12.549 -3.490 1.00 0.00 O ATOM 382 CB ASP A 26 -4.070 14.879 -3.135 1.00 0.00 C ATOM 383 CG ASP A 26 -3.470 15.920 -2.210 1.00 0.00 C ATOM 384 OD1 ASP A 26 -4.146 16.306 -1.232 1.00 0.00 O ATOM 385 OD2 ASP A 26 -2.324 16.348 -2.459 1.00 0.00 O ATOM 0 H ASP A 26 -1.866 13.771 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.259 13.395 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.609 14.963 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.134 15.080 -3.263 1.00 0.00 H new ATOM 390 N LYS A 27 -4.009 11.549 -4.113 1.00 0.00 N ATOM 391 CA LYS A 27 -4.691 10.549 -4.920 1.00 0.00 C ATOM 392 C LYS A 27 -4.906 9.294 -4.084 1.00 0.00 C ATOM 393 O LYS A 27 -6.040 8.921 -3.788 1.00 0.00 O ATOM 394 CB LYS A 27 -3.888 10.233 -6.182 1.00 0.00 C ATOM 395 CG LYS A 27 -3.493 11.468 -6.978 1.00 0.00 C ATOM 396 CD LYS A 27 -4.511 11.783 -8.062 1.00 0.00 C ATOM 397 CE LYS A 27 -5.696 12.559 -7.507 1.00 0.00 C ATOM 398 NZ LYS A 27 -5.557 14.024 -7.739 1.00 0.00 N ATOM 0 H LYS A 27 -2.992 11.467 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.659 10.939 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.987 9.688 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.475 9.572 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.401 12.321 -6.306 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.514 11.312 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.034 12.362 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.862 10.855 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.614 12.203 -7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.787 12.368 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.384 14.518 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.694 14.369 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.496 14.209 -8.760 1.00 0.00 H new ATOM 412 N ALA A 28 -3.802 8.663 -3.683 1.00 0.00 N ATOM 413 CA ALA A 28 -3.859 7.467 -2.848 1.00 0.00 C ATOM 414 C ALA A 28 -4.796 7.676 -1.667 1.00 0.00 C ATOM 415 O ALA A 28 -5.683 6.862 -1.407 1.00 0.00 O ATOM 416 CB ALA A 28 -2.470 7.112 -2.343 1.00 0.00 C ATOM 0 H ALA A 28 -2.857 8.962 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.241 6.647 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.526 6.218 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.812 6.923 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.075 7.939 -1.754 1.00 0.00 H new ATOM 422 N CYS A 29 -4.591 8.780 -0.957 1.00 0.00 N ATOM 423 CA CYS A 29 -5.417 9.114 0.191 1.00 0.00 C ATOM 424 C CYS A 29 -6.884 9.126 -0.207 1.00 0.00 C ATOM 425 O CYS A 29 -7.742 8.628 0.520 1.00 0.00 O ATOM 426 CB CYS A 29 -4.998 10.472 0.755 1.00 0.00 C ATOM 427 SG CYS A 29 -6.104 11.838 0.322 1.00 0.00 S ATOM 0 H CYS A 29 -3.857 9.459 -1.159 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.278 8.359 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.940 10.398 1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.995 10.706 0.398 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.758 12.219 1.379 1.00 0.00 H new ATOM 433 N GLY A 30 -7.160 9.684 -1.382 1.00 0.00 N ATOM 434 CA GLY A 30 -8.523 9.733 -1.875 1.00 0.00 C ATOM 435 C GLY A 30 -9.106 8.342 -2.019 1.00 0.00 C ATOM 436 O GLY A 30 -10.282 8.116 -1.728 1.00 0.00 O ATOM 0 H GLY A 30 -6.465 10.102 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.138 10.319 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.545 10.241 -2.839 1.00 0.00 H new ATOM 440 N LEU A 31 -8.267 7.409 -2.463 1.00 0.00 N ATOM 441 CA LEU A 31 -8.675 6.021 -2.646 1.00 0.00 C ATOM 442 C LEU A 31 -9.356 5.498 -1.377 1.00 0.00 C ATOM 443 O LEU A 31 -10.500 5.048 -1.423 1.00 0.00 O ATOM 444 CB LEU A 31 -7.454 5.167 -3.029 1.00 0.00 C ATOM 445 CG LEU A 31 -7.634 3.639 -3.021 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.245 3.078 -1.663 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.058 3.237 -3.391 1.00 0.00 C ATOM 0 H LEU A 31 -7.293 7.593 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.400 5.957 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.134 5.464 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.641 5.415 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.975 3.216 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.375 1.996 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.202 3.317 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.878 3.518 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.145 2.151 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.756 3.668 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.292 3.604 -4.390 1.00 0.00 H new ATOM 459 N LEU A 32 -8.661 5.580 -0.242 1.00 0.00 N ATOM 460 CA LEU A 32 -9.247 5.127 1.021 1.00 0.00 C ATOM 461 C LEU A 32 -9.955 6.274 1.731 1.00 0.00 C ATOM 462 O LEU A 32 -11.185 6.327 1.772 1.00 0.00 O ATOM 463 CB LEU A 32 -8.212 4.508 1.967 1.00 0.00 C ATOM 464 CG LEU A 32 -6.752 4.542 1.513 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.206 5.961 1.560 1.00 0.00 C ATOM 466 CD2 LEU A 32 -5.928 3.622 2.400 1.00 0.00 C ATOM 0 H LEU A 32 -7.712 5.947 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.967 4.351 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.281 5.020 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.489 3.468 2.140 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.691 4.196 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.166 5.962 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.794 6.599 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.266 6.340 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.887 3.644 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.996 3.958 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.310 2.604 2.323 1.00 0.00 H new ATOM 478 N GLY A 33 -9.172 7.189 2.295 1.00 0.00 N ATOM 479 CA GLY A 33 -9.740 8.322 3.000 1.00 0.00 C ATOM 480 C GLY A 33 -8.768 8.916 3.998 1.00 0.00 C ATOM 481 O GLY A 33 -9.173 9.541 4.979 1.00 0.00 O ATOM 0 H GLY A 33 -8.152 7.165 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.033 9.087 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.646 8.009 3.519 1.00 0.00 H new ATOM 485 N TYR A 34 -7.481 8.713 3.744 1.00 0.00 N ATOM 486 CA TYR A 34 -6.432 9.222 4.617 1.00 0.00 C ATOM 487 C TYR A 34 -5.703 10.389 3.954 1.00 0.00 C ATOM 488 O TYR A 34 -6.316 11.201 3.261 1.00 0.00 O ATOM 489 CB TYR A 34 -5.428 8.110 4.939 1.00 0.00 C ATOM 490 CG TYR A 34 -5.991 6.968 5.753 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.983 6.143 5.238 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.522 6.712 7.033 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.492 5.098 5.980 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.026 5.664 7.781 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.011 4.862 7.250 1.00 0.00 C ATOM 496 OH TYR A 34 -7.517 3.817 7.991 1.00 0.00 O ATOM 0 H TYR A 34 -7.138 8.196 2.935 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.894 9.571 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.035 7.712 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.587 8.544 5.480 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.361 6.323 4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.751 7.341 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.265 4.467 5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.649 5.476 8.776 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.878 3.074 7.988 1.00 0.00 H new ATOM 506 N SER A 35 -4.386 10.443 4.165 1.00 0.00 N ATOM 507 CA SER A 35 -3.526 11.476 3.591 1.00 0.00 C ATOM 508 C SER A 35 -2.142 11.396 4.215 1.00 0.00 C ATOM 509 O SER A 35 -1.948 10.708 5.214 1.00 0.00 O ATOM 510 CB SER A 35 -4.104 12.873 3.787 1.00 0.00 C ATOM 511 OG SER A 35 -4.298 13.165 5.159 1.00 0.00 O ATOM 0 H SER A 35 -3.885 9.767 4.742 1.00 0.00 H new ATOM 0 HA SER A 35 -3.460 11.295 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.433 13.611 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.054 12.953 3.259 1.00 0.00 H new ATOM 0 HG SER A 35 -4.668 14.068 5.252 1.00 0.00 H new ATOM 517 N SER A 36 -1.185 12.095 3.627 1.00 0.00 N ATOM 518 CA SER A 36 0.183 12.087 4.134 1.00 0.00 C ATOM 519 C SER A 36 0.222 12.390 5.631 1.00 0.00 C ATOM 520 O SER A 36 1.089 11.893 6.347 1.00 0.00 O ATOM 521 CB SER A 36 1.036 13.107 3.377 1.00 0.00 C ATOM 522 OG SER A 36 0.761 14.427 3.814 1.00 0.00 O ATOM 0 H SER A 36 -1.327 12.675 2.800 1.00 0.00 H new ATOM 0 HA SER A 36 0.590 11.088 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.093 12.884 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.841 13.027 2.308 1.00 0.00 H new ATOM 0 HG SER A 36 1.320 15.060 3.316 1.00 0.00 H new ATOM 528 N GLN A 37 -0.708 13.218 6.094 1.00 0.00 N ATOM 529 CA GLN A 37 -0.766 13.598 7.506 1.00 0.00 C ATOM 530 C GLN A 37 -1.823 12.810 8.283 1.00 0.00 C ATOM 531 O GLN A 37 -1.975 13.004 9.491 1.00 0.00 O ATOM 532 CB GLN A 37 -1.044 15.096 7.633 1.00 0.00 C ATOM 533 CG GLN A 37 -2.247 15.563 6.830 1.00 0.00 C ATOM 534 CD GLN A 37 -3.205 16.407 7.649 1.00 0.00 C ATOM 535 OE1 GLN A 37 -4.418 16.199 7.615 1.00 0.00 O ATOM 536 NE2 GLN A 37 -2.663 17.365 8.391 1.00 0.00 N ATOM 0 H GLN A 37 -1.433 13.640 5.514 1.00 0.00 H new ATOM 0 HA GLN A 37 0.204 13.359 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.202 15.340 8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.163 15.649 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.904 16.140 5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.777 14.695 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.652 17.502 8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.257 17.964 8.964 1.00 0.00 H new ATOM 545 N ASP A 38 -2.570 11.947 7.600 1.00 0.00 N ATOM 546 CA ASP A 38 -3.623 11.173 8.260 1.00 0.00 C ATOM 547 C ASP A 38 -3.317 9.676 8.300 1.00 0.00 C ATOM 548 O ASP A 38 -3.982 8.925 9.013 1.00 0.00 O ATOM 549 CB ASP A 38 -4.963 11.403 7.561 1.00 0.00 C ATOM 550 CG ASP A 38 -5.517 12.792 7.811 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.010 13.481 8.721 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.459 13.193 7.094 1.00 0.00 O ATOM 0 H ASP A 38 -2.470 11.765 6.601 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.673 11.524 9.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.840 11.252 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.682 10.661 7.907 1.00 0.00 H new ATOM 557 N LEU A 39 -2.324 9.242 7.536 1.00 0.00 N ATOM 558 CA LEU A 39 -1.963 7.827 7.498 1.00 0.00 C ATOM 559 C LEU A 39 -0.497 7.625 7.868 1.00 0.00 C ATOM 560 O LEU A 39 -0.023 6.495 7.977 1.00 0.00 O ATOM 561 CB LEU A 39 -2.248 7.246 6.111 1.00 0.00 C ATOM 562 CG LEU A 39 -1.469 7.888 4.964 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.227 7.076 4.642 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.353 8.028 3.738 1.00 0.00 C ATOM 0 H LEU A 39 -1.756 9.842 6.938 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.572 7.300 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.024 6.179 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.314 7.345 5.905 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.152 8.884 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.315 7.549 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.415 7.029 5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.518 6.067 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.784 8.487 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.699 7.043 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.212 8.655 3.978 1.00 0.00 H new ATOM 576 N ILE A 40 0.214 8.730 8.068 1.00 0.00 N ATOM 577 CA ILE A 40 1.623 8.680 8.431 1.00 0.00 C ATOM 578 C ILE A 40 1.812 8.084 9.823 1.00 0.00 C ATOM 579 O ILE A 40 0.988 8.294 10.717 1.00 0.00 O ATOM 580 CB ILE A 40 2.259 10.086 8.381 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.789 9.996 8.449 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.704 10.971 9.490 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.359 9.990 9.853 1.00 0.00 C ATOM 0 H ILE A 40 -0.165 9.673 7.984 1.00 0.00 H new ATOM 0 HA ILE A 40 2.122 8.040 7.703 1.00 0.00 H new ATOM 0 HB ILE A 40 1.997 10.546 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.110 9.089 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.214 10.838 7.902 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.167 11.956 9.435 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.625 11.069 9.371 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.923 10.521 10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.446 9.924 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.074 10.909 10.365 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.968 9.133 10.401 1.00 0.00 H new ATOM 595 N GLY A 41 2.900 7.342 10.003 1.00 0.00 N ATOM 596 CA GLY A 41 3.178 6.730 11.288 1.00 0.00 C ATOM 597 C GLY A 41 2.643 5.317 11.384 1.00 0.00 C ATOM 598 O GLY A 41 3.128 4.515 12.183 1.00 0.00 O ATOM 0 H GLY A 41 3.595 7.154 9.280 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.255 6.720 11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.737 7.337 12.079 1.00 0.00 H new ATOM 602 N GLN A 42 1.641 5.008 10.565 1.00 0.00 N ATOM 603 CA GLN A 42 1.043 3.679 10.558 1.00 0.00 C ATOM 604 C GLN A 42 1.532 2.872 9.361 1.00 0.00 C ATOM 605 O GLN A 42 2.523 3.230 8.723 1.00 0.00 O ATOM 606 CB GLN A 42 -0.484 3.785 10.530 1.00 0.00 C ATOM 607 CG GLN A 42 -1.038 4.852 11.461 1.00 0.00 C ATOM 608 CD GLN A 42 -2.390 5.373 11.014 1.00 0.00 C ATOM 609 OE1 GLN A 42 -2.569 5.515 9.705 1.00 0.00 O flip ATOM 610 NE2 GLN A 42 -3.266 5.646 11.835 1.00 0.00 N flip ATOM 0 H GLN A 42 1.227 5.660 9.899 1.00 0.00 H new ATOM 0 HA GLN A 42 1.347 3.164 11.469 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.806 4.001 9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.912 2.820 10.802 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.126 4.441 12.467 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.333 5.682 11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.087 5.522 12.832 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.170 5.996 11.519 1.00 0.00 H new ATOM 619 N LYS A 43 0.830 1.785 9.056 1.00 0.00 N ATOM 620 CA LYS A 43 1.195 0.931 7.932 1.00 0.00 C ATOM 621 C LYS A 43 0.031 0.806 6.955 1.00 0.00 C ATOM 622 O LYS A 43 -1.095 0.522 7.355 1.00 0.00 O ATOM 623 CB LYS A 43 1.610 -0.454 8.430 1.00 0.00 C ATOM 624 CG LYS A 43 2.841 -0.435 9.321 1.00 0.00 C ATOM 625 CD LYS A 43 2.467 -0.274 10.785 1.00 0.00 C ATOM 626 CE LYS A 43 2.320 -1.622 11.474 1.00 0.00 C ATOM 627 NZ LYS A 43 3.575 -2.420 11.405 1.00 0.00 N ATOM 0 H LYS A 43 0.006 1.475 9.571 1.00 0.00 H new ATOM 0 HA LYS A 43 2.038 1.388 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.780 -0.897 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.803 -1.097 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.402 -1.360 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.497 0.382 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.230 0.315 11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.532 0.280 10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.044 -1.468 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.508 -2.181 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.650 -3.022 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.560 -3.017 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.392 -1.778 11.364 1.00 0.00 H new ATOM 641 N LEU A 44 0.307 1.053 5.675 1.00 0.00 N ATOM 642 CA LEU A 44 -0.721 0.993 4.640 1.00 0.00 C ATOM 643 C LEU A 44 -1.570 -0.270 4.758 1.00 0.00 C ATOM 644 O LEU A 44 -2.792 -0.215 4.637 1.00 0.00 O ATOM 645 CB LEU A 44 -0.095 1.068 3.241 1.00 0.00 C ATOM 646 CG LEU A 44 1.390 0.697 3.146 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.586 -0.804 3.285 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.969 1.182 1.829 1.00 0.00 C ATOM 0 H LEU A 44 1.236 1.297 5.331 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.371 1.856 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.656 0.409 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.220 2.083 2.863 1.00 0.00 H new ATOM 0 HG LEU A 44 1.916 1.186 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.648 -1.040 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.205 -1.133 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.046 -1.317 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.024 0.912 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.432 0.717 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.868 2.265 1.764 1.00 0.00 H new ATOM 660 N THR A 45 -0.913 -1.403 4.973 1.00 0.00 N ATOM 661 CA THR A 45 -1.594 -2.691 5.085 1.00 0.00 C ATOM 662 C THR A 45 -2.688 -2.693 6.143 1.00 0.00 C ATOM 663 O THR A 45 -3.598 -3.520 6.097 1.00 0.00 O ATOM 664 CB THR A 45 -0.590 -3.802 5.394 1.00 0.00 C ATOM 665 OG1 THR A 45 0.053 -3.553 6.648 1.00 0.00 O ATOM 666 CG2 THR A 45 0.443 -3.873 4.292 1.00 0.00 C ATOM 0 H THR A 45 0.100 -1.458 5.074 1.00 0.00 H new ATOM 0 HA THR A 45 -2.069 -2.871 4.121 1.00 0.00 H new ATOM 0 HB THR A 45 -1.120 -4.753 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.157 -2.644 6.948 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.158 -4.665 4.514 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.051 -4.085 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.968 -2.920 4.223 1.00 0.00 H new ATOM 674 N GLN A 46 -2.605 -1.765 7.083 1.00 0.00 N ATOM 675 CA GLN A 46 -3.609 -1.669 8.134 1.00 0.00 C ATOM 676 C GLN A 46 -4.953 -1.331 7.511 1.00 0.00 C ATOM 677 O GLN A 46 -6.008 -1.625 8.070 1.00 0.00 O ATOM 678 CB GLN A 46 -3.216 -0.601 9.156 1.00 0.00 C ATOM 679 CG GLN A 46 -3.523 -0.989 10.594 1.00 0.00 C ATOM 680 CD GLN A 46 -2.386 -0.667 11.545 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.716 0.458 11.314 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.113 -1.417 12.483 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.859 -1.072 7.141 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.678 -2.625 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.149 -0.397 9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.739 0.326 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.423 -0.469 10.922 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.737 -2.057 10.640 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.651 -2.271 12.626 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.348 -1.184 13.117 1.00 0.00 H new ATOM 691 N PHE A 47 -4.894 -0.693 6.348 1.00 0.00 N ATOM 692 CA PHE A 47 -6.096 -0.286 5.630 1.00 0.00 C ATOM 693 C PHE A 47 -6.303 -1.131 4.374 1.00 0.00 C ATOM 694 O PHE A 47 -6.758 -0.629 3.348 1.00 0.00 O ATOM 695 CB PHE A 47 -6.010 1.199 5.254 1.00 0.00 C ATOM 696 CG PHE A 47 -4.941 1.957 5.994 1.00 0.00 C ATOM 697 CD1 PHE A 47 -4.999 2.104 7.371 1.00 0.00 C ATOM 698 CD2 PHE A 47 -3.878 2.523 5.310 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.016 2.797 8.051 1.00 0.00 C ATOM 700 CE2 PHE A 47 -2.892 3.219 5.985 1.00 0.00 C ATOM 701 CZ PHE A 47 -2.963 3.356 7.356 1.00 0.00 C ATOM 0 H PHE A 47 -4.022 -0.445 5.880 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.950 -0.442 6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.825 1.282 4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.974 1.669 5.448 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.823 1.671 7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.818 2.420 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.072 2.901 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.068 3.655 5.440 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.195 3.900 7.885 1.00 0.00 H new ATOM 711 N PHE A 48 -5.978 -2.420 4.474 1.00 0.00 N ATOM 712 CA PHE A 48 -6.137 -3.352 3.355 1.00 0.00 C ATOM 713 C PHE A 48 -6.512 -4.735 3.875 1.00 0.00 C ATOM 714 O PHE A 48 -6.084 -5.121 4.962 1.00 0.00 O ATOM 715 CB PHE A 48 -4.852 -3.438 2.521 1.00 0.00 C ATOM 716 CG PHE A 48 -4.441 -2.129 1.910 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.284 -1.455 1.044 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.211 -1.571 2.205 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.910 -0.248 0.486 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.827 -0.365 1.649 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.679 0.296 0.791 1.00 0.00 C ATOM 0 H PHE A 48 -5.602 -2.845 5.321 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.936 -2.979 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.043 -3.804 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.993 -4.171 1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.247 -1.878 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.541 -2.084 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.579 0.268 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.862 0.058 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.383 1.240 0.357 1.00 0.00 H new ATOM 731 N LEU A 49 -7.311 -5.461 3.083 1.00 0.00 N ATOM 732 CA LEU A 49 -7.776 -6.816 3.423 1.00 0.00 C ATOM 733 C LEU A 49 -7.541 -7.164 4.893 1.00 0.00 C ATOM 734 O LEU A 49 -6.463 -7.618 5.269 1.00 0.00 O ATOM 735 CB LEU A 49 -7.121 -7.882 2.522 1.00 0.00 C ATOM 736 CG LEU A 49 -5.757 -7.536 1.898 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.894 -6.445 0.848 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.747 -7.135 2.964 1.00 0.00 C ATOM 0 H LEU A 49 -7.656 -5.125 2.184 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.852 -6.818 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.002 -8.793 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.814 -8.112 1.713 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.386 -8.434 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.914 -6.222 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.562 -6.784 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.303 -5.546 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.794 -6.897 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.114 -6.261 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.609 -7.960 3.663 1.00 0.00 H new ATOM 750 N ARG A 50 -8.565 -6.945 5.718 1.00 0.00 N ATOM 751 CA ARG A 50 -8.487 -7.226 7.152 1.00 0.00 C ATOM 752 C ARG A 50 -7.455 -6.331 7.831 1.00 0.00 C ATOM 753 O ARG A 50 -6.255 -6.437 7.577 1.00 0.00 O ATOM 754 CB ARG A 50 -8.153 -8.699 7.404 1.00 0.00 C ATOM 755 CG ARG A 50 -8.559 -9.180 8.786 1.00 0.00 C ATOM 756 CD ARG A 50 -8.227 -10.650 8.988 1.00 0.00 C ATOM 757 NE ARG A 50 -9.406 -11.429 9.360 1.00 0.00 N ATOM 758 CZ ARG A 50 -10.335 -11.821 8.493 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.219 -11.510 7.207 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.378 -12.524 8.908 1.00 0.00 N ATOM 0 H ARG A 50 -9.464 -6.571 5.415 1.00 0.00 H new ATOM 0 HA ARG A 50 -9.465 -7.013 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.652 -9.311 6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.081 -8.848 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.050 -8.584 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.629 -9.026 8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.799 -11.055 8.071 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.468 -10.747 9.764 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.523 -11.687 10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -9.417 -10.970 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.932 -11.811 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.470 -12.766 9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.089 -12.823 8.241 1.00 0.00 H new ATOM 774 N SER A 51 -7.939 -5.440 8.687 1.00 0.00 N ATOM 775 CA SER A 51 -7.078 -4.506 9.404 1.00 0.00 C ATOM 776 C SER A 51 -6.570 -5.087 10.720 1.00 0.00 C ATOM 777 O SER A 51 -5.803 -4.438 11.432 1.00 0.00 O ATOM 778 CB SER A 51 -7.839 -3.208 9.678 1.00 0.00 C ATOM 779 OG SER A 51 -9.155 -3.473 10.131 1.00 0.00 O ATOM 0 H SER A 51 -8.931 -5.344 8.903 1.00 0.00 H new ATOM 0 HA SER A 51 -6.212 -4.308 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.305 -2.621 10.425 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.878 -2.607 8.769 1.00 0.00 H new ATOM 0 HG SER A 51 -9.619 -2.627 10.300 1.00 0.00 H new ATOM 785 N ASP A 52 -7.021 -6.291 11.066 1.00 0.00 N ATOM 786 CA ASP A 52 -6.616 -6.909 12.326 1.00 0.00 C ATOM 787 C ASP A 52 -5.353 -7.762 12.198 1.00 0.00 C ATOM 788 O ASP A 52 -4.293 -7.388 12.700 1.00 0.00 O ATOM 789 CB ASP A 52 -7.760 -7.767 12.872 1.00 0.00 C ATOM 790 CG ASP A 52 -8.462 -7.119 14.050 1.00 0.00 C ATOM 791 OD1 ASP A 52 -7.975 -6.075 14.533 1.00 0.00 O ATOM 792 OD2 ASP A 52 -9.500 -7.658 14.492 1.00 0.00 O ATOM 0 H ASP A 52 -7.658 -6.851 10.500 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.384 -6.097 13.015 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.484 -7.950 12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.369 -8.738 13.176 1.00 0.00 H new ATOM 797 N SER A 53 -5.474 -8.922 11.557 1.00 0.00 N ATOM 798 CA SER A 53 -4.338 -9.832 11.410 1.00 0.00 C ATOM 799 C SER A 53 -3.583 -9.640 10.096 1.00 0.00 C ATOM 800 O SER A 53 -2.393 -9.334 10.097 1.00 0.00 O ATOM 801 CB SER A 53 -4.810 -11.282 11.526 1.00 0.00 C ATOM 802 OG SER A 53 -5.768 -11.590 10.529 1.00 0.00 O ATOM 0 H SER A 53 -6.340 -9.254 11.133 1.00 0.00 H new ATOM 0 HA SER A 53 -3.642 -9.596 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.956 -11.954 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.242 -11.449 12.513 1.00 0.00 H new ATOM 0 HG SER A 53 -6.052 -12.523 10.625 1.00 0.00 H new ATOM 808 N ASP A 54 -4.279 -9.866 8.985 1.00 0.00 N ATOM 809 CA ASP A 54 -3.694 -9.767 7.645 1.00 0.00 C ATOM 810 C ASP A 54 -2.648 -8.655 7.518 1.00 0.00 C ATOM 811 O ASP A 54 -1.630 -8.834 6.851 1.00 0.00 O ATOM 812 CB ASP A 54 -4.795 -9.559 6.608 1.00 0.00 C ATOM 813 CG ASP A 54 -5.644 -10.801 6.405 1.00 0.00 C ATOM 814 OD1 ASP A 54 -5.450 -11.784 7.151 1.00 0.00 O ATOM 815 OD2 ASP A 54 -6.504 -10.790 5.498 1.00 0.00 O ATOM 0 H ASP A 54 -5.266 -10.123 8.985 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.175 -10.709 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.434 -8.733 6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.345 -9.271 5.658 1.00 0.00 H new ATOM 820 N VAL A 55 -2.902 -7.511 8.140 1.00 0.00 N ATOM 821 CA VAL A 55 -1.968 -6.387 8.064 1.00 0.00 C ATOM 822 C VAL A 55 -0.603 -6.740 8.661 1.00 0.00 C ATOM 823 O VAL A 55 0.435 -6.420 8.083 1.00 0.00 O ATOM 824 CB VAL A 55 -2.529 -5.129 8.768 1.00 0.00 C ATOM 825 CG1 VAL A 55 -3.363 -5.507 9.981 1.00 0.00 C ATOM 826 CG2 VAL A 55 -1.409 -4.179 9.166 1.00 0.00 C ATOM 0 H VAL A 55 -3.737 -7.334 8.698 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.839 -6.168 7.004 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.176 -4.614 8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.744 -4.603 10.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.199 -6.133 9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.745 -6.057 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.832 -3.304 9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.728 -4.686 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.864 -3.866 8.276 1.00 0.00 H new ATOM 836 N VAL A 56 -0.614 -7.379 9.825 1.00 0.00 N ATOM 837 CA VAL A 56 0.625 -7.751 10.507 1.00 0.00 C ATOM 838 C VAL A 56 1.330 -8.935 9.843 1.00 0.00 C ATOM 839 O VAL A 56 2.514 -9.167 10.082 1.00 0.00 O ATOM 840 CB VAL A 56 0.364 -8.092 11.987 1.00 0.00 C ATOM 841 CG1 VAL A 56 1.664 -8.081 12.777 1.00 0.00 C ATOM 842 CG2 VAL A 56 -0.640 -7.122 12.591 1.00 0.00 C ATOM 0 H VAL A 56 -1.465 -7.651 10.318 1.00 0.00 H new ATOM 0 HA VAL A 56 1.278 -6.881 10.437 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.058 -9.096 12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.458 -8.324 13.819 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.349 -8.819 12.361 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.117 -7.092 12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.811 -7.379 13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.249 -6.107 12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.581 -7.184 12.044 1.00 0.00 H new ATOM 852 N GLU A 57 0.607 -9.690 9.019 1.00 0.00 N ATOM 853 CA GLU A 57 1.194 -10.851 8.347 1.00 0.00 C ATOM 854 C GLU A 57 1.817 -10.468 7.009 1.00 0.00 C ATOM 855 O GLU A 57 2.962 -10.813 6.726 1.00 0.00 O ATOM 856 CB GLU A 57 0.144 -11.942 8.130 1.00 0.00 C ATOM 857 CG GLU A 57 -1.115 -11.759 8.960 1.00 0.00 C ATOM 858 CD GLU A 57 -1.252 -12.804 10.050 1.00 0.00 C ATOM 859 OE1 GLU A 57 -0.267 -13.031 10.783 1.00 0.00 O ATOM 860 OE2 GLU A 57 -2.344 -13.398 10.170 1.00 0.00 O ATOM 0 H GLU A 57 -0.375 -9.523 8.801 1.00 0.00 H new ATOM 0 HA GLU A 57 1.981 -11.235 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.129 -11.965 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.586 -12.910 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.107 -10.767 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.986 -11.805 8.307 1.00 0.00 H new ATOM 867 N ALA A 58 1.050 -9.768 6.186 1.00 0.00 N ATOM 868 CA ALA A 58 1.517 -9.348 4.869 1.00 0.00 C ATOM 869 C ALA A 58 2.755 -8.456 4.964 1.00 0.00 C ATOM 870 O ALA A 58 3.529 -8.353 4.012 1.00 0.00 O ATOM 871 CB ALA A 58 0.401 -8.633 4.123 1.00 0.00 C ATOM 0 H ALA A 58 0.098 -9.477 6.406 1.00 0.00 H new ATOM 0 HA ALA A 58 1.802 -10.242 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.760 -8.324 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.447 -9.307 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.089 -7.755 4.689 1.00 0.00 H new ATOM 1086 N PHE A 74 0.098 -9.252 -0.255 1.00 0.00 N ATOM 1087 CA PHE A 74 0.044 -7.819 -0.524 1.00 0.00 C ATOM 1088 C PHE A 74 1.074 -7.422 -1.581 1.00 0.00 C ATOM 1089 O PHE A 74 2.079 -6.777 -1.283 1.00 0.00 O ATOM 1090 CB PHE A 74 0.264 -7.026 0.763 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.106 -5.576 0.641 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.413 -5.192 0.355 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.855 -4.592 0.810 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.743 -3.857 0.242 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.526 -3.257 0.700 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.774 -2.889 0.415 1.00 0.00 C ATOM 0 HA PHE A 74 -0.947 -7.583 -0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.323 -7.477 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.312 -7.103 1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.175 -5.945 0.220 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.874 -4.874 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.760 -3.569 0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.284 -2.500 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.033 -1.844 0.327 1.00 0.00 H new ATOM 1106 N GLY A 75 0.800 -7.820 -2.815 1.00 0.00 N ATOM 1107 CA GLY A 75 1.675 -7.519 -3.934 1.00 0.00 C ATOM 1108 C GLY A 75 1.046 -7.974 -5.232 1.00 0.00 C ATOM 1109 O GLY A 75 1.715 -8.145 -6.250 1.00 0.00 O ATOM 0 H GLY A 75 -0.030 -8.357 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.870 -6.447 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.636 -8.013 -3.795 1.00 0.00 H new ATOM 1113 N THR A 76 -0.266 -8.171 -5.164 1.00 0.00 N ATOM 1114 CA THR A 76 -1.067 -8.613 -6.297 1.00 0.00 C ATOM 1115 C THR A 76 -2.470 -8.021 -6.199 1.00 0.00 C ATOM 1116 O THR A 76 -2.842 -7.477 -5.160 1.00 0.00 O ATOM 1117 CB THR A 76 -1.169 -10.149 -6.356 1.00 0.00 C ATOM 1118 OG1 THR A 76 0.062 -10.740 -5.927 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.496 -10.618 -7.766 1.00 0.00 C ATOM 0 H THR A 76 -0.808 -8.027 -4.312 1.00 0.00 H new ATOM 0 HA THR A 76 -0.575 -8.267 -7.206 1.00 0.00 H new ATOM 0 HB THR A 76 -1.974 -10.461 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.013 -11.716 -5.966 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.563 -11.706 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.449 -10.192 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.711 -10.293 -8.449 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.247 -8.125 -7.270 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.606 -7.596 -7.255 1.00 0.00 C ATOM 1129 C VAL A 77 -5.424 -8.336 -6.201 1.00 0.00 C ATOM 1130 O VAL A 77 -5.857 -9.469 -6.417 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.286 -7.743 -8.630 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.587 -6.955 -8.679 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.346 -7.301 -9.742 1.00 0.00 C ATOM 0 H VAL A 77 -2.966 -8.563 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.555 -6.534 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.524 -8.796 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.048 -7.075 -9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.266 -7.326 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.380 -5.900 -8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.844 -7.412 -10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.072 -6.256 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.447 -7.917 -9.725 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.604 -7.693 -5.049 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.340 -8.287 -3.937 1.00 0.00 C ATOM 1145 C VAL A 78 -7.538 -7.438 -3.531 1.00 0.00 C ATOM 1146 O VAL A 78 -7.701 -6.311 -3.994 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.431 -8.442 -2.702 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.448 -9.581 -2.890 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.699 -7.139 -2.415 1.00 0.00 C ATOM 0 H VAL A 78 -5.248 -6.756 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.687 -9.261 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.059 -8.681 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.819 -9.669 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.994 -10.512 -3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.823 -9.382 -3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.061 -7.265 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.086 -6.869 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.425 -6.348 -2.224 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.353 -7.984 -2.635 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.520 -7.276 -2.127 1.00 0.00 C ATOM 1161 C ASP A 79 -9.127 -6.480 -0.890 1.00 0.00 C ATOM 1162 O ASP A 79 -8.829 -7.054 0.158 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.640 -8.261 -1.786 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.513 -8.581 -2.984 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -10.968 -8.704 -4.101 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.743 -8.710 -2.805 1.00 0.00 O ATOM 0 H ASP A 79 -8.225 -8.918 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.887 -6.596 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.205 -9.183 -1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.258 -7.844 -0.991 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.108 -5.159 -1.020 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.724 -4.292 0.083 1.00 0.00 C ATOM 1173 C ILE A 80 -9.939 -3.681 0.775 1.00 0.00 C ATOM 1174 O ILE A 80 -11.061 -3.755 0.274 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.803 -3.155 -0.400 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.600 -2.112 -1.189 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.671 -3.718 -1.249 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -7.913 -0.768 -1.280 1.00 0.00 C ATOM 0 H ILE A 80 -9.354 -4.667 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.190 -4.918 0.797 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.372 -2.665 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.778 -2.489 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.575 -1.981 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.028 -2.904 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.087 -4.422 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.087 -4.232 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.535 -0.080 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.759 -0.370 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.949 -0.885 -1.776 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.695 -3.063 1.926 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.749 -2.419 2.701 1.00 0.00 C ATOM 1192 C ILE A 81 -10.266 -1.069 3.218 1.00 0.00 C ATOM 1193 O ILE A 81 -9.177 -0.969 3.778 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.191 -3.290 3.891 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -9.995 -4.056 4.458 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.290 -4.251 3.464 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -9.708 -3.738 5.910 1.00 0.00 C ATOM 0 H ILE A 81 -8.768 -2.995 2.345 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.605 -2.281 2.041 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.588 -2.641 4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.178 -5.126 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.111 -3.827 3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.592 -4.860 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.148 -3.685 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.919 -4.898 2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.848 -4.317 6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.493 -2.674 6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.576 -3.994 6.517 1.00 0.00 H new ATOM 1209 N SER A 82 -11.075 -0.034 3.027 1.00 0.00 N ATOM 1210 CA SER A 82 -10.707 1.305 3.474 1.00 0.00 C ATOM 1211 C SER A 82 -11.195 1.575 4.894 1.00 0.00 C ATOM 1212 O SER A 82 -11.954 0.790 5.460 1.00 0.00 O ATOM 1213 CB SER A 82 -11.270 2.354 2.513 1.00 0.00 C ATOM 1214 OG SER A 82 -12.359 3.049 3.094 1.00 0.00 O ATOM 0 H SER A 82 -11.984 -0.094 2.569 1.00 0.00 H new ATOM 0 HA SER A 82 -9.619 1.369 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.486 3.062 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.594 1.870 1.592 1.00 0.00 H new ATOM 0 HG SER A 82 -12.699 3.714 2.459 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.734 2.687 5.462 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.101 3.074 6.826 1.00 0.00 C ATOM 1222 C ARG A 83 -12.610 3.004 7.063 1.00 0.00 C ATOM 1223 O ARG A 83 -13.054 2.751 8.184 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.605 4.491 7.126 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.366 5.578 6.382 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.490 6.790 6.112 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.921 7.963 6.868 1.00 0.00 N ATOM 1228 CZ ARG A 83 -12.029 8.648 6.601 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.823 8.273 5.606 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -12.348 9.708 7.330 1.00 0.00 N ATOM 0 H ARG A 83 -10.103 3.340 4.998 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.623 2.361 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.683 4.674 8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.548 4.558 6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.739 5.181 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.235 5.880 6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.457 6.554 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.509 7.020 5.047 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.339 8.275 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.584 7.457 5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.672 8.801 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.743 10.000 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.198 10.232 7.123 1.00 0.00 H new ATOM 1244 N SER A 84 -13.396 3.236 6.016 1.00 0.00 N ATOM 1245 CA SER A 84 -14.851 3.203 6.140 1.00 0.00 C ATOM 1246 C SER A 84 -15.399 1.828 5.781 1.00 0.00 C ATOM 1247 O SER A 84 -16.529 1.486 6.134 1.00 0.00 O ATOM 1248 CB SER A 84 -15.488 4.267 5.241 1.00 0.00 C ATOM 1249 OG SER A 84 -14.710 4.487 4.078 1.00 0.00 O ATOM 0 H SER A 84 -13.054 3.447 5.079 1.00 0.00 H new ATOM 0 HA SER A 84 -15.103 3.415 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.492 3.953 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.591 5.200 5.795 1.00 0.00 H new ATOM 0 HG SER A 84 -15.140 5.169 3.521 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.595 1.048 5.071 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.018 -0.276 4.667 1.00 0.00 C ATOM 1257 C GLY A 85 -15.717 -0.259 3.332 1.00 0.00 C ATOM 1258 O GLY A 85 -16.853 0.205 3.225 1.00 0.00 O ATOM 0 H GLY A 85 -13.657 1.310 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.151 -0.934 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.687 -0.690 5.422 1.00 0.00 H new ATOM 1262 N GLU A 86 -15.039 -0.753 2.312 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.604 -0.780 0.977 1.00 0.00 C ATOM 1264 C GLU A 86 -15.328 -2.113 0.292 1.00 0.00 C ATOM 1265 O GLU A 86 -15.925 -2.420 -0.739 1.00 0.00 O ATOM 1266 CB GLU A 86 -15.032 0.373 0.156 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.340 1.744 0.732 1.00 0.00 C ATOM 1268 CD GLU A 86 -16.605 2.350 0.155 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -16.702 2.446 -1.086 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -17.497 2.726 0.943 1.00 0.00 O ATOM 0 H GLU A 86 -14.098 -1.140 2.383 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.685 -0.665 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.951 0.254 0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.428 0.317 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.441 1.665 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.501 2.412 0.538 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.425 -2.897 0.885 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.052 -4.214 0.358 1.00 0.00 C ATOM 1279 C LYS A 87 -14.111 -4.250 -1.166 1.00 0.00 C ATOM 1280 O LYS A 87 -14.786 -5.097 -1.754 1.00 0.00 O ATOM 1281 CB LYS A 87 -14.952 -5.305 0.946 1.00 0.00 C ATOM 1282 CG LYS A 87 -16.437 -4.979 0.895 1.00 0.00 C ATOM 1283 CD LYS A 87 -16.984 -4.657 2.276 1.00 0.00 C ATOM 1284 CE LYS A 87 -17.032 -5.891 3.162 1.00 0.00 C ATOM 1285 NZ LYS A 87 -18.220 -5.887 4.059 1.00 0.00 N ATOM 0 H LYS A 87 -13.933 -2.639 1.740 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.021 -4.404 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.776 -6.236 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.664 -5.479 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.602 -4.131 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.982 -5.824 0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.362 -3.895 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.985 -4.237 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.052 -6.785 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.124 -5.942 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.215 -6.745 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.189 -5.048 4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.088 -5.865 3.486 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.392 -3.331 -1.804 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.358 -3.260 -3.256 1.00 0.00 C ATOM 1301 C ILE A 88 -12.055 -3.852 -3.792 1.00 0.00 C ATOM 1302 O ILE A 88 -10.969 -3.511 -3.318 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.507 -1.803 -3.741 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -14.968 -1.359 -3.643 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -12.999 -1.655 -5.165 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -15.140 0.140 -3.528 1.00 0.00 C ATOM 0 H ILE A 88 -12.825 -2.625 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.197 -3.842 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.904 -1.162 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -15.506 -1.711 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.427 -1.836 -2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.114 -0.620 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.946 -1.933 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.572 -2.306 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -16.201 0.381 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -14.631 0.497 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.712 0.624 -4.406 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.141 -4.750 -4.791 1.00 0.00 N ATOM 1319 CA PRO A 89 -10.963 -5.385 -5.385 1.00 0.00 C ATOM 1320 C PRO A 89 -10.106 -4.392 -6.160 1.00 0.00 C ATOM 1321 O PRO A 89 -10.615 -3.627 -6.979 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.541 -6.439 -6.334 1.00 0.00 C ATOM 1323 CG PRO A 89 -12.991 -6.546 -5.989 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.384 -5.217 -5.416 1.00 0.00 C ATOM 0 HA PRO A 89 -10.308 -5.805 -4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.407 -6.143 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.037 -7.397 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.585 -6.780 -6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.162 -7.346 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.731 -4.530 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.191 -5.313 -4.689 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.802 -4.412 -5.901 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.871 -3.518 -6.578 1.00 0.00 C ATOM 1334 C VAL A 90 -6.523 -4.197 -6.794 1.00 0.00 C ATOM 1335 O VAL A 90 -6.265 -5.273 -6.257 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.651 -2.210 -5.788 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.962 -1.463 -5.599 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -6.999 -2.496 -4.446 1.00 0.00 C ATOM 0 H VAL A 90 -8.366 -5.040 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.319 -3.274 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.980 -1.575 -6.366 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.780 -0.545 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.384 -1.217 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.662 -2.091 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.853 -1.561 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.641 -3.156 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.034 -2.977 -4.605 1.00 0.00 H new ATOM 1348 N SER A 91 -5.669 -3.554 -7.580 1.00 0.00 N ATOM 1349 CA SER A 91 -4.343 -4.086 -7.874 1.00 0.00 C ATOM 1350 C SER A 91 -3.297 -3.482 -6.946 1.00 0.00 C ATOM 1351 O SER A 91 -3.213 -2.264 -6.804 1.00 0.00 O ATOM 1352 CB SER A 91 -3.972 -3.805 -9.331 1.00 0.00 C ATOM 1353 OG SER A 91 -5.004 -4.219 -10.210 1.00 0.00 O ATOM 0 H SER A 91 -5.871 -2.660 -8.027 1.00 0.00 H new ATOM 0 HA SER A 91 -4.366 -5.164 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.784 -2.739 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.047 -4.325 -9.581 1.00 0.00 H new ATOM 0 HG SER A 91 -4.743 -4.027 -11.135 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.500 -4.341 -6.317 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.459 -3.881 -5.406 1.00 0.00 C ATOM 1361 C VAL A 92 -0.093 -4.412 -5.817 1.00 0.00 C ATOM 1362 O VAL A 92 0.071 -5.605 -6.054 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.742 -4.318 -3.956 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.604 -3.897 -3.036 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.069 -3.750 -3.473 1.00 0.00 C ATOM 0 H VAL A 92 -2.555 -5.354 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.459 -2.792 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.811 -5.406 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.823 -4.215 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.324 -4.362 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.497 -2.813 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.250 -4.070 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.035 -2.661 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.874 -4.111 -4.113 1.00 0.00 H new ATOM 1375 N TRP A 93 0.888 -3.518 -5.890 1.00 0.00 N ATOM 1376 CA TRP A 93 2.244 -3.910 -6.257 1.00 0.00 C ATOM 1377 C TRP A 93 3.271 -3.152 -5.425 1.00 0.00 C ATOM 1378 O TRP A 93 3.459 -1.946 -5.595 1.00 0.00 O ATOM 1379 CB TRP A 93 2.520 -3.704 -7.754 1.00 0.00 C ATOM 1380 CG TRP A 93 1.527 -2.832 -8.471 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.203 -3.089 -8.691 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.797 -1.571 -9.095 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.369 -2.059 -9.396 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.591 -1.117 -9.659 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.942 -0.780 -9.226 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.498 0.092 -10.344 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.848 0.419 -9.907 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.634 0.846 -10.459 1.00 0.00 C ATOM 0 H TRP A 93 0.771 -2.523 -5.701 1.00 0.00 H new ATOM 0 HA TRP A 93 2.334 -4.976 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.512 -3.268 -7.868 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.543 -4.679 -8.241 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.318 -3.974 -8.358 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.348 -2.004 -9.678 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.883 -1.100 -8.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.438 0.423 -10.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.727 1.038 -10.015 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.594 1.788 -10.985 1.00 0.00 H new ATOM 1399 N MET A 94 3.934 -3.872 -4.521 1.00 0.00 N ATOM 1400 CA MET A 94 4.943 -3.277 -3.656 1.00 0.00 C ATOM 1401 C MET A 94 6.344 -3.538 -4.199 1.00 0.00 C ATOM 1402 O MET A 94 6.654 -4.647 -4.635 1.00 0.00 O ATOM 1403 CB MET A 94 4.823 -3.835 -2.234 1.00 0.00 C ATOM 1404 CG MET A 94 5.261 -2.855 -1.161 1.00 0.00 C ATOM 1405 SD MET A 94 5.083 -3.522 0.506 1.00 0.00 S ATOM 1406 CE MET A 94 5.186 -2.022 1.483 1.00 0.00 C ATOM 0 H MET A 94 3.788 -4.870 -4.371 1.00 0.00 H new ATOM 0 HA MET A 94 4.775 -2.200 -3.631 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.788 -4.123 -2.051 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.425 -4.741 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.302 -2.580 -1.329 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.673 -1.941 -1.247 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.118 -2.020 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.160 -1.155 0.823 1.00 0.00 H new ATOM 0 HE3 MET A 94 4.343 -1.978 2.172 1.00 0.00 H new ATOM 1416 N LYS A 95 7.184 -2.508 -4.173 1.00 0.00 N ATOM 1417 CA LYS A 95 8.553 -2.628 -4.669 1.00 0.00 C ATOM 1418 C LYS A 95 9.444 -1.520 -4.116 1.00 0.00 C ATOM 1419 O LYS A 95 9.004 -0.384 -3.938 1.00 0.00 O ATOM 1420 CB LYS A 95 8.567 -2.591 -6.199 1.00 0.00 C ATOM 1421 CG LYS A 95 7.836 -1.396 -6.785 1.00 0.00 C ATOM 1422 CD LYS A 95 6.643 -1.827 -7.620 1.00 0.00 C ATOM 1423 CE LYS A 95 6.777 -1.364 -9.062 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.697 -2.234 -9.844 1.00 0.00 N ATOM 0 H LYS A 95 6.943 -1.584 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 95 8.948 -3.585 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.601 -2.579 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.114 -3.506 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.500 -0.743 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.522 -0.815 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.551 -2.913 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.729 -1.419 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.794 -1.359 -9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.145 -0.338 -9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.760 -1.883 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.642 -2.219 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.333 -3.208 -9.849 1.00 0.00 H new ATOM 1438 N ARG A 96 10.702 -1.861 -3.849 1.00 0.00 N ATOM 1439 CA ARG A 96 11.665 -0.899 -3.321 1.00 0.00 C ATOM 1440 C ARG A 96 12.218 -0.012 -4.434 1.00 0.00 C ATOM 1441 O ARG A 96 13.005 -0.460 -5.268 1.00 0.00 O ATOM 1442 CB ARG A 96 12.806 -1.631 -2.618 1.00 0.00 C ATOM 1443 CG ARG A 96 12.461 -2.098 -1.215 1.00 0.00 C ATOM 1444 CD ARG A 96 12.983 -3.501 -0.951 1.00 0.00 C ATOM 1445 NE ARG A 96 11.948 -4.377 -0.408 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.571 -5.518 -0.979 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.141 -5.921 -2.107 1.00 0.00 N ATOM 1448 NH2 ARG A 96 10.622 -6.257 -0.421 1.00 0.00 N ATOM 0 H ARG A 96 11.079 -2.798 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 96 11.151 -0.262 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.096 -2.494 -3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.673 -0.972 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.885 -1.408 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.380 -2.080 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.367 -3.925 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.819 -3.451 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 96 11.488 -4.098 0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.871 -5.355 -2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.849 -6.796 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.181 -5.951 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.333 -7.132 -0.859 1.00 0.00 H new ATOM 1462 N MET A 97 11.785 1.245 -4.445 1.00 0.00 N ATOM 1463 CA MET A 97 12.216 2.203 -5.461 1.00 0.00 C ATOM 1464 C MET A 97 12.997 3.358 -4.841 1.00 0.00 C ATOM 1465 O MET A 97 13.387 4.295 -5.540 1.00 0.00 O ATOM 1466 CB MET A 97 10.994 2.768 -6.170 1.00 0.00 C ATOM 1467 CG MET A 97 10.129 3.607 -5.250 1.00 0.00 C ATOM 1468 SD MET A 97 9.907 5.292 -5.845 1.00 0.00 S ATOM 1469 CE MET A 97 8.595 5.061 -7.042 1.00 0.00 C ATOM 0 H MET A 97 11.133 1.626 -3.759 1.00 0.00 H new ATOM 0 HA MET A 97 12.864 1.680 -6.164 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.316 3.376 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 97 10.401 1.948 -6.575 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.153 3.133 -5.144 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.581 3.633 -4.258 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.628 5.864 -7.778 1.00 0.00 H new ATOM 0 HE2 MET A 97 8.726 4.103 -7.545 1.00 0.00 H new ATOM 0 HE3 MET A 97 7.631 5.075 -6.533 1.00 0.00 H new ATOM 1479 N ARG A 98 13.218 3.290 -3.534 1.00 0.00 N ATOM 1480 CA ARG A 98 13.948 4.335 -2.819 1.00 0.00 C ATOM 1481 C ARG A 98 13.250 5.686 -2.967 1.00 0.00 C ATOM 1482 O ARG A 98 12.214 5.793 -3.621 1.00 0.00 O ATOM 1483 CB ARG A 98 15.388 4.429 -3.331 1.00 0.00 C ATOM 1484 CG ARG A 98 16.235 3.211 -2.997 1.00 0.00 C ATOM 1485 CD ARG A 98 17.638 3.606 -2.564 1.00 0.00 C ATOM 1486 NE ARG A 98 18.427 4.128 -3.676 1.00 0.00 N ATOM 1487 CZ ARG A 98 19.223 3.382 -4.437 1.00 0.00 C ATOM 1488 NH1 ARG A 98 19.340 2.081 -4.202 1.00 0.00 N ATOM 1489 NH2 ARG A 98 19.903 3.934 -5.431 1.00 0.00 N ATOM 0 H ARG A 98 12.902 2.520 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 98 13.966 4.070 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 98 15.372 4.564 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 98 15.858 5.316 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 98 15.755 2.641 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.293 2.558 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.576 4.359 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.143 2.740 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 98 18.364 5.125 -3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 98 18.819 1.652 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.951 1.510 -4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.817 4.934 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.513 3.359 -6.013 1.00 0.00 H new ATOM 1503 N GLN A 99 13.824 6.715 -2.350 1.00 0.00 N ATOM 1504 CA GLN A 99 13.255 8.057 -2.413 1.00 0.00 C ATOM 1505 C GLN A 99 14.245 9.096 -1.894 1.00 0.00 C ATOM 1506 O GLN A 99 14.112 10.288 -2.174 1.00 0.00 O ATOM 1507 CB GLN A 99 11.959 8.123 -1.600 1.00 0.00 C ATOM 1508 CG GLN A 99 11.044 9.269 -2.003 1.00 0.00 C ATOM 1509 CD GLN A 99 10.073 8.881 -3.100 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.837 8.585 -2.718 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.430 8.848 -4.278 1.00 0.00 N flip ATOM 0 H GLN A 99 14.681 6.645 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 99 13.035 8.281 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.420 7.182 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.208 8.222 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.485 9.607 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.649 10.111 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.391 9.084 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.765 8.585 -5.005 1.00 0.00 H new ATOM 1520 N GLU A 100 15.237 8.634 -1.141 1.00 0.00 N ATOM 1521 CA GLU A 100 16.251 9.522 -0.582 1.00 0.00 C ATOM 1522 C GLU A 100 17.583 8.795 -0.431 1.00 0.00 C ATOM 1523 O GLU A 100 18.489 8.960 -1.248 1.00 0.00 O ATOM 1524 CB GLU A 100 15.793 10.060 0.777 1.00 0.00 C ATOM 1525 CG GLU A 100 15.558 11.562 0.792 1.00 0.00 C ATOM 1526 CD GLU A 100 14.096 11.922 0.965 1.00 0.00 C ATOM 1527 OE1 GLU A 100 13.586 11.810 2.100 1.00 0.00 O ATOM 1528 OE2 GLU A 100 13.458 12.314 -0.035 1.00 0.00 O ATOM 0 H GLU A 100 15.361 7.650 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 100 16.388 10.357 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.872 9.554 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 100 16.543 9.811 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.136 12.008 1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.927 11.993 -0.139 1.00 0.00 H new ATOM 1535 N ARG A 101 17.691 7.988 0.619 1.00 0.00 N ATOM 1536 CA ARG A 101 18.908 7.230 0.883 1.00 0.00 C ATOM 1537 C ARG A 101 18.572 5.887 1.519 1.00 0.00 C ATOM 1538 O ARG A 101 19.451 5.186 2.021 1.00 0.00 O ATOM 1539 CB ARG A 101 19.839 8.022 1.803 1.00 0.00 C ATOM 1540 CG ARG A 101 20.728 9.011 1.067 1.00 0.00 C ATOM 1541 CD ARG A 101 22.192 8.813 1.420 1.00 0.00 C ATOM 1542 NE ARG A 101 23.035 9.868 0.865 1.00 0.00 N ATOM 1543 CZ ARG A 101 23.820 9.704 -0.196 1.00 0.00 C ATOM 1544 NH1 ARG A 101 23.863 8.531 -0.816 1.00 0.00 N ATOM 1545 NH2 ARG A 101 24.557 10.712 -0.640 1.00 0.00 N ATOM 0 H ARG A 101 16.948 7.842 1.303 1.00 0.00 H new ATOM 0 HA ARG A 101 19.414 7.053 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.239 8.562 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.467 7.325 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.593 8.893 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.427 10.028 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 101 22.304 8.792 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.528 7.846 1.046 1.00 0.00 H new ATOM 0 HE ARG A 101 23.021 10.783 1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 101 23.294 7.755 -0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 101 24.465 8.406 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 101 24.523 11.615 -0.168 1.00 0.00 H new ATOM 0 HH22 ARG A 101 25.158 10.584 -1.454 1.00 0.00 H new ATOM 1559 N ARG A 102 17.290 5.538 1.497 1.00 0.00 N ATOM 1560 CA ARG A 102 16.823 4.284 2.076 1.00 0.00 C ATOM 1561 C ARG A 102 15.830 3.592 1.144 1.00 0.00 C ATOM 1562 O ARG A 102 14.978 4.244 0.542 1.00 0.00 O ATOM 1563 CB ARG A 102 16.172 4.550 3.441 1.00 0.00 C ATOM 1564 CG ARG A 102 15.158 3.495 3.867 1.00 0.00 C ATOM 1565 CD ARG A 102 13.896 4.127 4.435 1.00 0.00 C ATOM 1566 NE ARG A 102 14.196 5.153 5.428 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.806 6.422 5.321 1.00 0.00 C ATOM 1568 NH1 ARG A 102 13.105 6.817 4.268 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.119 7.296 6.268 1.00 0.00 N ATOM 0 H ARG A 102 16.553 6.109 1.083 1.00 0.00 H new ATOM 0 HA ARG A 102 17.680 3.624 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.954 4.612 4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.678 5.521 3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 102 14.900 2.872 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.606 2.840 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.315 4.566 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.276 3.354 4.889 1.00 0.00 H new ATOM 0 HE ARG A 102 14.735 4.883 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.863 6.149 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.808 7.790 4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.659 6.997 7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.820 8.267 6.185 1.00 0.00 H new ATOM 1583 N LEU A 103 15.943 2.270 1.039 1.00 0.00 N ATOM 1584 CA LEU A 103 15.043 1.495 0.191 1.00 0.00 C ATOM 1585 C LEU A 103 13.599 1.776 0.575 1.00 0.00 C ATOM 1586 O LEU A 103 13.124 1.314 1.614 1.00 0.00 O ATOM 1587 CB LEU A 103 15.335 -0.003 0.324 1.00 0.00 C ATOM 1588 CG LEU A 103 16.811 -0.389 0.249 1.00 0.00 C ATOM 1589 CD1 LEU A 103 17.020 -1.794 0.791 1.00 0.00 C ATOM 1590 CD2 LEU A 103 17.316 -0.286 -1.183 1.00 0.00 C ATOM 0 H LEU A 103 16.646 1.716 1.528 1.00 0.00 H new ATOM 0 HA LEU A 103 15.203 1.790 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.933 -0.352 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.797 -0.533 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 103 17.383 0.305 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 103 18.077 -2.054 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.695 -1.835 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.438 -2.502 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.369 -0.564 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.741 -0.958 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.199 0.738 -1.537 1.00 0.00 H new ATOM 1602 N CYS A 104 12.905 2.550 -0.251 1.00 0.00 N ATOM 1603 CA CYS A 104 11.524 2.900 0.029 1.00 0.00 C ATOM 1604 C CYS A 104 10.556 1.972 -0.691 1.00 0.00 C ATOM 1605 O CYS A 104 10.560 1.870 -1.919 1.00 0.00 O ATOM 1606 CB CYS A 104 11.265 4.366 -0.348 1.00 0.00 C ATOM 1607 SG CYS A 104 10.098 4.604 -1.710 1.00 0.00 S ATOM 0 H CYS A 104 13.277 2.944 -1.115 1.00 0.00 H new ATOM 0 HA CYS A 104 11.352 2.778 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.889 4.891 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.214 4.831 -0.616 1.00 0.00 H new ATOM 0 HG CYS A 104 10.714 5.143 -2.720 1.00 0.00 H new ATOM 1613 N CYS A 105 9.720 1.300 0.088 1.00 0.00 N ATOM 1614 CA CYS A 105 8.729 0.386 -0.452 1.00 0.00 C ATOM 1615 C CYS A 105 7.494 1.174 -0.888 1.00 0.00 C ATOM 1616 O CYS A 105 6.903 1.900 -0.090 1.00 0.00 O ATOM 1617 CB CYS A 105 8.353 -0.657 0.604 1.00 0.00 C ATOM 1618 SG CYS A 105 8.334 -2.357 -0.010 1.00 0.00 S ATOM 0 H CYS A 105 9.711 1.374 1.105 1.00 0.00 H new ATOM 0 HA CYS A 105 9.143 -0.131 -1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 105 9.058 -0.589 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.368 -0.415 1.003 1.00 0.00 H new ATOM 0 HG CYS A 105 7.213 -2.925 0.321 1.00 0.00 H new ATOM 1624 N VAL A 106 7.115 1.039 -2.154 1.00 0.00 N ATOM 1625 CA VAL A 106 5.958 1.755 -2.681 1.00 0.00 C ATOM 1626 C VAL A 106 4.850 0.795 -3.099 1.00 0.00 C ATOM 1627 O VAL A 106 5.111 -0.258 -3.680 1.00 0.00 O ATOM 1628 CB VAL A 106 6.346 2.638 -3.886 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.109 3.199 -4.573 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.269 3.763 -3.445 1.00 0.00 C ATOM 0 H VAL A 106 7.589 0.443 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 106 5.590 2.391 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 106 6.877 2.015 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.411 3.817 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.486 2.378 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.543 3.804 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.533 4.376 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.762 4.380 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.174 3.341 -3.009 1.00 0.00 H new ATOM 1640 N VAL A 107 3.611 1.179 -2.808 1.00 0.00 N ATOM 1641 CA VAL A 107 2.448 0.374 -3.154 1.00 0.00 C ATOM 1642 C VAL A 107 1.452 1.216 -3.952 1.00 0.00 C ATOM 1643 O VAL A 107 1.068 2.306 -3.525 1.00 0.00 O ATOM 1644 CB VAL A 107 1.770 -0.199 -1.885 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.255 -0.042 -1.928 1.00 0.00 C ATOM 1646 CG2 VAL A 107 2.151 -1.657 -1.702 1.00 0.00 C ATOM 0 H VAL A 107 3.387 2.051 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 107 2.780 -0.465 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 107 2.129 0.374 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.180 -0.457 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.001 1.015 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.141 -0.572 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.669 -2.050 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.826 -2.230 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.233 -1.740 -1.597 1.00 0.00 H new ATOM 1656 N VAL A 108 1.047 0.714 -5.112 1.00 0.00 N ATOM 1657 CA VAL A 108 0.106 1.435 -5.958 1.00 0.00 C ATOM 1658 C VAL A 108 -1.189 0.655 -6.137 1.00 0.00 C ATOM 1659 O VAL A 108 -1.211 -0.398 -6.774 1.00 0.00 O ATOM 1660 CB VAL A 108 0.708 1.742 -7.341 1.00 0.00 C ATOM 1661 CG1 VAL A 108 -0.129 2.786 -8.066 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.151 2.205 -7.206 1.00 0.00 C ATOM 0 H VAL A 108 1.353 -0.184 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.111 2.375 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 108 0.699 0.826 -7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.311 2.991 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.144 2.412 -8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.154 3.704 -7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.559 2.417 -8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.188 3.108 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.741 1.422 -6.730 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.269 1.181 -5.566 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.572 0.539 -5.654 1.00 0.00 C ATOM 1674 C LEU A 109 -4.350 1.044 -6.864 1.00 0.00 C ATOM 1675 O LEU A 109 -4.636 2.236 -6.977 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.363 0.804 -4.379 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.505 0.939 -3.124 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.184 1.833 -2.104 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.216 -0.432 -2.541 1.00 0.00 C ATOM 0 H LEU A 109 -2.265 2.053 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.420 -0.534 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.943 1.718 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.076 -0.008 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.557 1.404 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.556 1.916 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.338 2.823 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.147 1.404 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.603 -0.325 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.154 -0.922 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.683 -1.035 -3.276 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.694 0.129 -7.760 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.445 0.481 -8.957 1.00 0.00 C ATOM 1693 C GLU A 110 -6.772 -0.268 -8.994 1.00 0.00 C ATOM 1694 O GLU A 110 -6.794 -1.493 -9.107 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.627 0.156 -10.207 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.685 1.235 -11.275 1.00 0.00 C ATOM 1697 CD GLU A 110 -4.427 0.692 -12.667 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -3.313 0.180 -12.906 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -5.337 0.775 -13.514 1.00 0.00 O ATOM 0 H GLU A 110 -4.465 -0.862 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.649 1.552 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.588 -0.002 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.986 -0.782 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.665 1.712 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.949 2.006 -11.048 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.902 0.455 -8.906 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.226 -0.165 -8.934 1.00 0.00 C ATOM 1708 C PRO A 111 -9.416 -1.043 -10.167 1.00 0.00 C ATOM 1709 O PRO A 111 -9.040 -0.657 -11.275 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.184 1.027 -8.972 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.411 2.157 -8.384 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.979 1.922 -8.773 1.00 0.00 C ATOM 0 HA PRO A 111 -9.388 -0.823 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.497 1.250 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.089 0.826 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.767 3.114 -8.765 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.522 2.184 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.728 2.425 -9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.290 2.294 -8.015 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.997 -2.221 -9.972 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.229 -3.144 -11.078 1.00 0.00 C ATOM 1722 C VAL A 112 -11.326 -2.631 -12.003 1.00 0.00 C ATOM 1723 O VAL A 112 -12.372 -2.168 -11.548 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.613 -4.549 -10.569 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.435 -5.201 -9.865 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.822 -4.475 -9.648 1.00 0.00 C ATOM 0 H VAL A 112 -10.315 -2.559 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.294 -3.212 -11.633 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.880 -5.165 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.724 -6.191 -9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.601 -5.293 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.134 -4.588 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.076 -5.476 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.589 -3.842 -8.792 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.668 -4.054 -10.191 1.00 0.00 H new