USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 43 HIS : no HE2:sc= 0.7 K(o=2.3,f=-3.6!) USER MOD Set 1.2: A 46 GLN : amide:sc= 1.61 K(o=2.3,f=-0.5) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0176) USER MOD Single : A 18 MET CE :methyl 147:sc= -0.0407 (180deg=-0.93) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.098) USER MOD Single : A 27 SER OG : rot 92:sc= 0.0895 USER MOD Single : A 31 ASN : amide:sc= 0.777 K(o=0.78,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 136:sc= -0.0995 (180deg=-0.387) USER MOD Single : A 47 SER OG : rot 180:sc= 0.183 USER MOD Single : A 51 SER OG : rot -93:sc= 0.0638 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00898) USER MOD Single : A 54 ASN : amide:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 55 SER OG : rot -160:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.16 USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0172 USER MOD Single : A 78 TYR OH : rot 154:sc= 0.794 USER MOD Single : A 80 THR OG1 : rot 76:sc= 0.42 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot -100:sc= -1.76! USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.178 -0.341 -5.336 1.00 0.00 N ATOM 183 CA LYS A 16 -9.530 0.067 -6.690 1.00 0.00 C ATOM 184 C LYS A 16 -8.449 -0.495 -7.610 1.00 0.00 C ATOM 185 O LYS A 16 -7.331 -0.760 -7.153 1.00 0.00 O ATOM 186 CB LYS A 16 -9.604 1.601 -6.782 1.00 0.00 C ATOM 187 CG LYS A 16 -10.917 2.180 -6.247 1.00 0.00 C ATOM 188 CD LYS A 16 -12.078 2.033 -7.242 1.00 0.00 C ATOM 189 CE LYS A 16 -13.414 2.401 -6.589 1.00 0.00 C ATOM 190 NZ LYS A 16 -13.458 3.796 -6.106 1.00 0.00 N ATOM 0 HA LYS A 16 -10.510 -0.312 -6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.772 2.031 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.480 1.902 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.177 1.679 -5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.776 3.235 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.904 2.674 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.119 1.007 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.218 2.246 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.601 1.727 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.412 4.011 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.768 3.919 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.225 4.441 -6.888 1.00 0.00 H new ATOM 204 N PRO A 17 -8.741 -0.703 -8.899 1.00 0.00 N ATOM 205 CA PRO A 17 -7.767 -1.239 -9.829 1.00 0.00 C ATOM 206 C PRO A 17 -6.690 -0.199 -10.116 1.00 0.00 C ATOM 207 O PRO A 17 -6.924 0.828 -10.752 1.00 0.00 O ATOM 208 CB PRO A 17 -8.549 -1.605 -11.076 1.00 0.00 C ATOM 209 CG PRO A 17 -9.744 -0.645 -11.048 1.00 0.00 C ATOM 210 CD PRO A 17 -10.012 -0.446 -9.562 1.00 0.00 C ATOM 0 HA PRO A 17 -7.249 -2.112 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.950 -1.474 -11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.871 -2.646 -11.056 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.512 0.298 -11.543 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.610 -1.068 -11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.363 0.566 -9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.784 -1.129 -9.208 1.00 0.00 H new ATOM 218 N MET A 18 -5.492 -0.503 -9.639 1.00 0.00 N ATOM 219 CA MET A 18 -4.314 0.339 -9.776 1.00 0.00 C ATOM 220 C MET A 18 -3.854 0.318 -11.232 1.00 0.00 C ATOM 221 O MET A 18 -3.621 -0.766 -11.786 1.00 0.00 O ATOM 222 CB MET A 18 -3.197 -0.141 -8.838 1.00 0.00 C ATOM 223 CG MET A 18 -3.655 -0.268 -7.379 1.00 0.00 C ATOM 224 SD MET A 18 -4.116 1.261 -6.526 1.00 0.00 S ATOM 225 CE MET A 18 -2.558 1.643 -5.682 1.00 0.00 C ATOM 0 H MET A 18 -5.308 -1.368 -9.131 1.00 0.00 H new ATOM 0 HA MET A 18 -4.561 1.363 -9.495 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.830 -1.107 -9.184 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.360 0.556 -8.891 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.510 -0.943 -7.350 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.854 -0.744 -6.813 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.435 2.724 -5.616 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.574 1.218 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.726 1.217 -6.243 1.00 0.00 H new ATOM 235 N SER A 19 -3.766 1.484 -11.863 1.00 0.00 N ATOM 236 CA SER A 19 -3.332 1.625 -13.249 1.00 0.00 C ATOM 237 C SER A 19 -1.798 1.537 -13.327 1.00 0.00 C ATOM 238 O SER A 19 -1.124 1.555 -12.293 1.00 0.00 O ATOM 239 CB SER A 19 -3.846 2.974 -13.756 1.00 0.00 C ATOM 240 OG SER A 19 -3.781 3.059 -15.163 1.00 0.00 O ATOM 0 H SER A 19 -3.998 2.372 -11.419 1.00 0.00 H new ATOM 0 HA SER A 19 -3.732 0.825 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.876 3.118 -13.429 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.257 3.778 -13.315 1.00 0.00 H new ATOM 0 HG SER A 19 -4.118 3.932 -15.454 1.00 0.00 H new ATOM 246 N TYR A 20 -1.229 1.438 -14.537 1.00 0.00 N ATOM 247 CA TYR A 20 0.225 1.370 -14.727 1.00 0.00 C ATOM 248 C TYR A 20 0.886 2.612 -14.126 1.00 0.00 C ATOM 249 O TYR A 20 1.914 2.497 -13.461 1.00 0.00 O ATOM 250 CB TYR A 20 0.582 1.241 -16.216 1.00 0.00 C ATOM 251 CG TYR A 20 2.072 1.350 -16.521 1.00 0.00 C ATOM 252 CD1 TYR A 20 2.955 0.300 -16.193 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.586 2.524 -17.105 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.336 0.422 -16.450 1.00 0.00 C ATOM 255 CE2 TYR A 20 3.960 2.639 -17.379 1.00 0.00 C ATOM 256 CZ TYR A 20 4.845 1.588 -17.061 1.00 0.00 C ATOM 257 OH TYR A 20 6.170 1.694 -17.374 1.00 0.00 O ATOM 0 H TYR A 20 -1.761 1.403 -15.406 1.00 0.00 H new ATOM 0 HA TYR A 20 0.599 0.483 -14.215 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.219 0.281 -16.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.053 2.015 -16.772 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.571 -0.603 -15.742 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.921 3.341 -17.344 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.007 -0.380 -16.178 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.341 3.540 -17.837 1.00 0.00 H new ATOM 0 HH TYR A 20 6.339 2.565 -17.789 1.00 0.00 H new ATOM 267 N GLU A 21 0.270 3.777 -14.339 1.00 0.00 N ATOM 268 CA GLU A 21 0.753 5.061 -13.851 1.00 0.00 C ATOM 269 C GLU A 21 0.725 5.082 -12.319 1.00 0.00 C ATOM 270 O GLU A 21 1.695 5.518 -11.712 1.00 0.00 O ATOM 271 CB GLU A 21 -0.106 6.195 -14.436 1.00 0.00 C ATOM 272 CG GLU A 21 -0.060 6.306 -15.975 1.00 0.00 C ATOM 273 CD GLU A 21 1.151 7.079 -16.499 1.00 0.00 C ATOM 274 OE1 GLU A 21 1.210 8.314 -16.307 1.00 0.00 O ATOM 275 OE2 GLU A 21 2.023 6.487 -17.175 1.00 0.00 O ATOM 0 H GLU A 21 -0.599 3.850 -14.869 1.00 0.00 H new ATOM 0 HA GLU A 21 1.784 5.210 -14.173 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.140 6.047 -14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.223 7.141 -14.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.053 5.303 -16.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.970 6.795 -16.323 1.00 0.00 H new ATOM 282 N GLU A 22 -0.336 4.563 -11.687 1.00 0.00 N ATOM 283 CA GLU A 22 -0.459 4.540 -10.227 1.00 0.00 C ATOM 284 C GLU A 22 0.663 3.699 -9.634 1.00 0.00 C ATOM 285 O GLU A 22 1.326 4.097 -8.679 1.00 0.00 O ATOM 286 CB GLU A 22 -1.808 3.947 -9.796 1.00 0.00 C ATOM 287 CG GLU A 22 -2.993 4.847 -10.136 1.00 0.00 C ATOM 288 CD GLU A 22 -4.269 4.301 -9.505 1.00 0.00 C ATOM 289 OE1 GLU A 22 -4.533 4.567 -8.311 1.00 0.00 O ATOM 290 OE2 GLU A 22 -5.024 3.596 -10.215 1.00 0.00 O ATOM 0 H GLU A 22 -1.131 4.149 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.395 5.566 -9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.944 2.979 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.792 3.767 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.805 5.859 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.112 4.910 -11.218 1.00 0.00 H new ATOM 297 N LYS A 23 0.868 2.512 -10.208 1.00 0.00 N ATOM 298 CA LYS A 23 1.898 1.570 -9.791 1.00 0.00 C ATOM 299 C LYS A 23 3.277 2.221 -9.918 1.00 0.00 C ATOM 300 O LYS A 23 4.148 1.979 -9.086 1.00 0.00 O ATOM 301 CB LYS A 23 1.835 0.353 -10.714 1.00 0.00 C ATOM 302 CG LYS A 23 0.599 -0.518 -10.507 1.00 0.00 C ATOM 303 CD LYS A 23 0.351 -1.356 -11.758 1.00 0.00 C ATOM 304 CE LYS A 23 -0.801 -2.313 -11.490 1.00 0.00 C ATOM 305 NZ LYS A 23 -1.171 -3.055 -12.710 1.00 0.00 N ATOM 0 H LYS A 23 0.309 2.176 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 23 1.735 1.276 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.858 0.693 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.726 -0.255 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.740 -1.168 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.269 0.108 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.115 -0.710 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.250 -1.913 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.519 -3.015 -10.705 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.663 -1.755 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.959 -3.700 -12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.462 -2.384 -13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.353 -3.605 -13.043 1.00 0.00 H new ATOM 319 N ARG A 24 3.516 2.969 -11.000 1.00 0.00 N ATOM 320 CA ARG A 24 4.791 3.635 -11.243 1.00 0.00 C ATOM 321 C ARG A 24 4.978 4.785 -10.263 1.00 0.00 C ATOM 322 O ARG A 24 6.038 4.849 -9.647 1.00 0.00 O ATOM 323 CB ARG A 24 4.904 4.088 -12.712 1.00 0.00 C ATOM 324 CG ARG A 24 5.193 2.933 -13.693 1.00 0.00 C ATOM 325 CD ARG A 24 6.617 2.372 -13.561 1.00 0.00 C ATOM 326 NE ARG A 24 6.791 1.061 -14.210 1.00 0.00 N ATOM 327 CZ ARG A 24 7.951 0.513 -14.601 1.00 0.00 C ATOM 328 NH1 ARG A 24 9.108 1.149 -14.451 1.00 0.00 N ATOM 329 NH2 ARG A 24 7.935 -0.689 -15.154 1.00 0.00 N ATOM 0 H ARG A 24 2.824 3.128 -11.733 1.00 0.00 H new ATOM 0 HA ARG A 24 5.601 2.926 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.976 4.579 -13.005 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.697 4.831 -12.795 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.476 2.131 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.040 3.284 -14.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.321 3.081 -13.997 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.868 2.282 -12.504 1.00 0.00 H new ATOM 0 HE ARG A 24 5.945 0.516 -14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.129 2.078 -14.029 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.976 0.709 -14.757 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.051 -1.182 -15.277 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.807 -1.122 -15.458 1.00 0.00 H new ATOM 343 N GLN A 25 3.980 5.648 -10.069 1.00 0.00 N ATOM 344 CA GLN A 25 4.055 6.779 -9.149 1.00 0.00 C ATOM 345 C GLN A 25 4.396 6.311 -7.730 1.00 0.00 C ATOM 346 O GLN A 25 5.183 6.959 -7.038 1.00 0.00 O ATOM 347 CB GLN A 25 2.734 7.564 -9.202 1.00 0.00 C ATOM 348 CG GLN A 25 2.713 8.759 -8.239 1.00 0.00 C ATOM 349 CD GLN A 25 3.885 9.709 -8.463 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.941 10.427 -9.457 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.865 9.738 -7.577 1.00 0.00 N ATOM 0 H GLN A 25 3.085 5.578 -10.554 1.00 0.00 H new ATOM 0 HA GLN A 25 4.861 7.446 -9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.569 7.920 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.909 6.894 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.778 9.305 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.736 8.395 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.822 9.143 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.664 10.355 -7.720 1.00 0.00 H new ATOM 360 N LEU A 26 3.844 5.172 -7.312 1.00 0.00 N ATOM 361 CA LEU A 26 4.084 4.577 -6.000 1.00 0.00 C ATOM 362 C LEU A 26 5.595 4.326 -5.831 1.00 0.00 C ATOM 363 O LEU A 26 6.154 4.526 -4.756 1.00 0.00 O ATOM 364 CB LEU A 26 3.226 3.299 -5.928 1.00 0.00 C ATOM 365 CG LEU A 26 2.680 2.925 -4.541 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.510 1.950 -4.703 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.690 2.255 -3.608 1.00 0.00 C ATOM 0 H LEU A 26 3.204 4.627 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 26 3.795 5.228 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.382 3.414 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.822 2.465 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 26 2.393 3.873 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.120 1.683 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.722 2.422 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.854 1.051 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.211 2.030 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.047 1.331 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.532 2.927 -3.441 1.00 0.00 H new ATOM 379 N SER A 27 6.272 3.909 -6.908 1.00 0.00 N ATOM 380 CA SER A 27 7.705 3.642 -6.947 1.00 0.00 C ATOM 381 C SER A 27 8.478 4.949 -6.706 1.00 0.00 C ATOM 382 O SER A 27 9.423 4.957 -5.913 1.00 0.00 O ATOM 383 CB SER A 27 8.060 3.016 -8.309 1.00 0.00 C ATOM 384 OG SER A 27 9.109 2.063 -8.241 1.00 0.00 O ATOM 0 H SER A 27 5.816 3.744 -7.805 1.00 0.00 H new ATOM 0 HA SER A 27 7.985 2.940 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.172 2.537 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.345 3.809 -9.000 1.00 0.00 H new ATOM 0 HG SER A 27 8.730 1.168 -8.114 1.00 0.00 H new ATOM 390 N LEU A 28 8.095 6.058 -7.359 1.00 0.00 N ATOM 391 CA LEU A 28 8.763 7.344 -7.198 1.00 0.00 C ATOM 392 C LEU A 28 8.675 7.815 -5.756 1.00 0.00 C ATOM 393 O LEU A 28 9.693 8.199 -5.189 1.00 0.00 O ATOM 394 CB LEU A 28 8.135 8.416 -8.100 1.00 0.00 C ATOM 395 CG LEU A 28 8.585 8.441 -9.561 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.072 8.783 -9.702 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.238 7.167 -10.321 1.00 0.00 C ATOM 0 H LEU A 28 7.312 6.080 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 28 9.806 7.202 -7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.053 8.284 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.345 9.392 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 28 8.013 9.244 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.346 8.789 -10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.261 9.767 -9.272 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.668 8.037 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.585 7.252 -11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.722 6.315 -9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.158 7.022 -10.313 1.00 0.00 H new ATOM 409 N ASP A 29 7.486 7.789 -5.155 1.00 0.00 N ATOM 410 CA ASP A 29 7.334 8.235 -3.771 1.00 0.00 C ATOM 411 C ASP A 29 8.180 7.345 -2.852 1.00 0.00 C ATOM 412 O ASP A 29 8.833 7.840 -1.933 1.00 0.00 O ATOM 413 CB ASP A 29 5.863 8.268 -3.353 1.00 0.00 C ATOM 414 CG ASP A 29 5.109 9.559 -3.708 1.00 0.00 C ATOM 415 OD1 ASP A 29 5.708 10.522 -4.252 1.00 0.00 O ATOM 416 OD2 ASP A 29 3.895 9.613 -3.418 1.00 0.00 O ATOM 0 H ASP A 29 6.625 7.468 -5.598 1.00 0.00 H new ATOM 0 HA ASP A 29 7.697 9.259 -3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.350 7.427 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.805 8.117 -2.275 1.00 0.00 H new ATOM 421 N ILE A 30 8.236 6.035 -3.112 1.00 0.00 N ATOM 422 CA ILE A 30 9.048 5.108 -2.325 1.00 0.00 C ATOM 423 C ILE A 30 10.526 5.521 -2.460 1.00 0.00 C ATOM 424 O ILE A 30 11.285 5.358 -1.504 1.00 0.00 O ATOM 425 CB ILE A 30 8.757 3.656 -2.798 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.526 3.126 -2.031 1.00 0.00 C ATOM 427 CG2 ILE A 30 9.948 2.690 -2.666 1.00 0.00 C ATOM 428 CD1 ILE A 30 7.020 1.767 -2.525 1.00 0.00 C ATOM 0 H ILE A 30 7.721 5.591 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 30 8.801 5.144 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 30 8.559 3.700 -3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.777 3.046 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.719 3.854 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.655 1.701 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.782 3.057 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.252 2.627 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.154 1.465 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.735 1.844 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.810 1.024 -2.417 1.00 0.00 H new ATOM 440 N ASN A 31 10.955 6.047 -3.614 1.00 0.00 N ATOM 441 CA ASN A 31 12.337 6.484 -3.822 1.00 0.00 C ATOM 442 C ASN A 31 12.625 7.751 -3.016 1.00 0.00 C ATOM 443 O ASN A 31 13.783 7.984 -2.659 1.00 0.00 O ATOM 444 CB ASN A 31 12.653 6.750 -5.309 1.00 0.00 C ATOM 445 CG ASN A 31 13.054 5.492 -6.053 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.146 5.409 -6.608 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.191 4.498 -6.121 1.00 0.00 N ATOM 0 H ASN A 31 10.354 6.181 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 31 12.976 5.669 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.779 7.189 -5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.457 7.482 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.428 3.651 -6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.286 4.576 -5.657 1.00 0.00 H new ATOM 454 N LYS A 32 11.617 8.590 -2.747 1.00 0.00 N ATOM 455 CA LYS A 32 11.769 9.829 -1.974 1.00 0.00 C ATOM 456 C LYS A 32 12.026 9.508 -0.502 1.00 0.00 C ATOM 457 O LYS A 32 12.721 10.261 0.181 1.00 0.00 O ATOM 458 CB LYS A 32 10.506 10.704 -2.093 1.00 0.00 C ATOM 459 CG LYS A 32 10.177 11.177 -3.521 1.00 0.00 C ATOM 460 CD LYS A 32 11.019 12.361 -4.006 1.00 0.00 C ATOM 461 CE LYS A 32 10.587 13.638 -3.278 1.00 0.00 C ATOM 462 NZ LYS A 32 11.180 14.854 -3.868 1.00 0.00 N ATOM 0 H LYS A 32 10.661 8.426 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 32 12.620 10.377 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.655 10.143 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.627 11.579 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.316 10.342 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.124 11.454 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.076 12.167 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.900 12.487 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.500 13.718 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.875 13.569 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.857 15.689 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.217 14.793 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.885 14.937 -4.862 1.00 0.00 H new ATOM 476 N LEU A 33 11.454 8.413 0.003 1.00 0.00 N ATOM 477 CA LEU A 33 11.621 7.984 1.385 1.00 0.00 C ATOM 478 C LEU A 33 13.074 7.574 1.656 1.00 0.00 C ATOM 479 O LEU A 33 13.747 7.071 0.753 1.00 0.00 O ATOM 480 CB LEU A 33 10.743 6.751 1.645 1.00 0.00 C ATOM 481 CG LEU A 33 9.273 7.001 1.986 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.553 5.654 2.103 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.147 7.691 3.338 1.00 0.00 C ATOM 0 H LEU A 33 10.856 7.795 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 33 11.341 8.816 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.782 6.116 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.188 6.185 2.463 1.00 0.00 H new ATOM 0 HG LEU A 33 8.842 7.624 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.504 5.822 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.625 5.120 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.017 5.060 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.094 7.861 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.586 7.060 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.670 8.647 3.309 1.00 0.00 H new ATOM 495 N PRO A 34 13.567 7.732 2.896 1.00 0.00 N ATOM 496 CA PRO A 34 14.926 7.345 3.255 1.00 0.00 C ATOM 497 C PRO A 34 15.011 5.815 3.385 1.00 0.00 C ATOM 498 O PRO A 34 14.003 5.148 3.646 1.00 0.00 O ATOM 499 CB PRO A 34 15.163 8.018 4.609 1.00 0.00 C ATOM 500 CG PRO A 34 13.782 8.010 5.246 1.00 0.00 C ATOM 501 CD PRO A 34 12.885 8.308 4.046 1.00 0.00 C ATOM 0 HA PRO A 34 15.667 7.642 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.887 7.469 5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 34 15.548 9.031 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.548 7.049 5.703 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.687 8.766 6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.896 7.868 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.742 9.381 3.920 1.00 0.00 H new ATOM 509 N GLY A 35 16.220 5.253 3.312 1.00 0.00 N ATOM 510 CA GLY A 35 16.457 3.816 3.427 1.00 0.00 C ATOM 511 C GLY A 35 15.982 3.262 4.772 1.00 0.00 C ATOM 512 O GLY A 35 15.600 2.094 4.873 1.00 0.00 O ATOM 0 H GLY A 35 17.073 5.794 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.941 3.298 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.521 3.613 3.307 1.00 0.00 H new ATOM 516 N GLU A 36 15.978 4.090 5.822 1.00 0.00 N ATOM 517 CA GLU A 36 15.520 3.673 7.143 1.00 0.00 C ATOM 518 C GLU A 36 13.997 3.475 7.167 1.00 0.00 C ATOM 519 O GLU A 36 13.500 2.725 8.005 1.00 0.00 O ATOM 520 CB GLU A 36 16.013 4.643 8.224 1.00 0.00 C ATOM 521 CG GLU A 36 15.470 6.066 8.073 1.00 0.00 C ATOM 522 CD GLU A 36 15.890 6.957 9.236 1.00 0.00 C ATOM 523 OE1 GLU A 36 15.418 6.700 10.364 1.00 0.00 O ATOM 524 OE2 GLU A 36 16.638 7.935 9.008 1.00 0.00 O ATOM 0 H GLU A 36 16.290 5.060 5.777 1.00 0.00 H new ATOM 0 HA GLU A 36 15.958 2.701 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.727 4.257 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.102 4.676 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.829 6.495 7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.382 6.036 8.012 1.00 0.00 H new ATOM 531 N LYS A 37 13.239 4.118 6.266 1.00 0.00 N ATOM 532 CA LYS A 37 11.780 3.964 6.201 1.00 0.00 C ATOM 533 C LYS A 37 11.405 2.978 5.094 1.00 0.00 C ATOM 534 O LYS A 37 10.316 2.399 5.146 1.00 0.00 O ATOM 535 CB LYS A 37 11.083 5.322 6.043 1.00 0.00 C ATOM 536 CG LYS A 37 11.337 6.202 7.278 1.00 0.00 C ATOM 537 CD LYS A 37 10.593 7.542 7.253 1.00 0.00 C ATOM 538 CE LYS A 37 9.113 7.452 7.670 1.00 0.00 C ATOM 539 NZ LYS A 37 8.898 6.823 8.991 1.00 0.00 N ATOM 0 H LYS A 37 13.619 4.756 5.566 1.00 0.00 H new ATOM 0 HA LYS A 37 11.426 3.548 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.451 5.825 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.012 5.174 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.042 5.651 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.407 6.394 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.104 8.240 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.650 7.958 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.688 8.456 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.567 6.885 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.198 7.374 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.548 5.852 8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.796 6.800 9.515 1.00 0.00 H new ATOM 553 N LEU A 38 12.296 2.754 4.120 1.00 0.00 N ATOM 554 CA LEU A 38 12.091 1.822 3.015 1.00 0.00 C ATOM 555 C LEU A 38 11.964 0.417 3.580 1.00 0.00 C ATOM 556 O LEU A 38 11.028 -0.280 3.224 1.00 0.00 O ATOM 557 CB LEU A 38 13.268 1.883 2.032 1.00 0.00 C ATOM 558 CG LEU A 38 13.260 0.797 0.927 1.00 0.00 C ATOM 559 CD1 LEU A 38 12.175 1.006 -0.130 1.00 0.00 C ATOM 560 CD2 LEU A 38 14.625 0.754 0.240 1.00 0.00 C ATOM 0 H LEU A 38 13.198 3.229 4.082 1.00 0.00 H new ATOM 0 HA LEU A 38 11.183 2.094 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.273 2.863 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.197 1.798 2.596 1.00 0.00 H new ATOM 0 HG LEU A 38 13.040 -0.147 1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.230 0.208 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.195 0.992 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.326 1.968 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.617 -0.011 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.838 1.725 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.395 0.517 0.975 1.00 0.00 H new ATOM 572 N GLY A 39 12.808 0.016 4.533 1.00 0.00 N ATOM 573 CA GLY A 39 12.735 -1.327 5.102 1.00 0.00 C ATOM 574 C GLY A 39 11.428 -1.657 5.814 1.00 0.00 C ATOM 575 O GLY A 39 11.287 -2.765 6.324 1.00 0.00 O ATOM 0 H GLY A 39 13.546 0.601 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.889 -2.052 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.557 -1.451 5.808 1.00 0.00 H new ATOM 579 N ARG A 40 10.502 -0.708 5.973 1.00 0.00 N ATOM 580 CA ARG A 40 9.207 -0.975 6.588 1.00 0.00 C ATOM 581 C ARG A 40 8.231 -1.361 5.478 1.00 0.00 C ATOM 582 O ARG A 40 7.283 -2.090 5.743 1.00 0.00 O ATOM 583 CB ARG A 40 8.719 0.270 7.342 1.00 0.00 C ATOM 584 CG ARG A 40 7.612 -0.025 8.362 1.00 0.00 C ATOM 585 CD ARG A 40 8.192 -0.776 9.563 1.00 0.00 C ATOM 586 NE ARG A 40 7.153 -1.226 10.494 1.00 0.00 N ATOM 587 CZ ARG A 40 7.384 -1.840 11.658 1.00 0.00 C ATOM 588 NH1 ARG A 40 8.620 -2.055 12.086 1.00 0.00 N ATOM 589 NH2 ARG A 40 6.386 -2.265 12.418 1.00 0.00 N ATOM 0 H ARG A 40 10.631 0.260 5.680 1.00 0.00 H new ATOM 0 HA ARG A 40 9.282 -1.789 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.564 0.727 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.352 1.001 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.153 0.907 8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.826 -0.619 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.758 -1.638 9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.893 -0.128 10.090 1.00 0.00 H new ATOM 0 HE ARG A 40 6.181 -1.058 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.415 -1.750 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.776 -2.525 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.421 -2.126 12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.582 -2.732 13.303 1.00 0.00 H new ATOM 603 N VAL A 41 8.464 -0.901 4.246 1.00 0.00 N ATOM 604 CA VAL A 41 7.657 -1.167 3.066 1.00 0.00 C ATOM 605 C VAL A 41 7.498 -2.680 2.921 1.00 0.00 C ATOM 606 O VAL A 41 6.367 -3.147 2.815 1.00 0.00 O ATOM 607 CB VAL A 41 8.300 -0.480 1.834 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.536 -0.718 0.530 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.369 1.048 2.026 1.00 0.00 C ATOM 0 H VAL A 41 9.264 -0.302 4.041 1.00 0.00 H new ATOM 0 HA VAL A 41 6.656 -0.746 3.156 1.00 0.00 H new ATOM 0 HB VAL A 41 9.291 -0.927 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.044 -0.207 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.496 -1.787 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.522 -0.329 0.626 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.824 1.505 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.362 1.444 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.969 1.277 2.906 1.00 0.00 H new ATOM 619 N VAL A 42 8.582 -3.459 3.026 1.00 0.00 N ATOM 620 CA VAL A 42 8.535 -4.919 2.896 1.00 0.00 C ATOM 621 C VAL A 42 7.532 -5.568 3.868 1.00 0.00 C ATOM 622 O VAL A 42 6.820 -6.511 3.517 1.00 0.00 O ATOM 623 CB VAL A 42 9.974 -5.457 3.066 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.490 -5.361 4.505 1.00 0.00 C ATOM 625 CG2 VAL A 42 10.128 -6.893 2.567 1.00 0.00 C ATOM 0 H VAL A 42 9.517 -3.093 3.204 1.00 0.00 H new ATOM 0 HA VAL A 42 8.163 -5.188 1.907 1.00 0.00 H new ATOM 0 HB VAL A 42 10.584 -4.802 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.505 -5.755 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.490 -4.318 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.843 -5.941 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.158 -7.220 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.459 -7.546 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.877 -6.939 1.507 1.00 0.00 H new ATOM 635 N HIS A 43 7.449 -5.061 5.103 1.00 0.00 N ATOM 636 CA HIS A 43 6.559 -5.589 6.127 1.00 0.00 C ATOM 637 C HIS A 43 5.084 -5.358 5.772 1.00 0.00 C ATOM 638 O HIS A 43 4.218 -6.074 6.287 1.00 0.00 O ATOM 639 CB HIS A 43 6.895 -4.983 7.502 1.00 0.00 C ATOM 640 CG HIS A 43 7.828 -5.776 8.396 1.00 0.00 C ATOM 641 ND1 HIS A 43 8.025 -7.144 8.421 1.00 0.00 N ATOM 642 CD2 HIS A 43 8.488 -5.255 9.478 1.00 0.00 C ATOM 643 CE1 HIS A 43 8.771 -7.433 9.501 1.00 0.00 C ATOM 644 NE2 HIS A 43 9.056 -6.316 10.197 1.00 0.00 N ATOM 0 H HIS A 43 8.005 -4.266 5.416 1.00 0.00 H new ATOM 0 HA HIS A 43 6.715 -6.667 6.177 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.336 -4.000 7.340 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.960 -4.828 8.041 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.668 -7.815 7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.558 -4.208 9.733 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.097 -8.426 9.773 1.00 0.00 H new ATOM 652 N ILE A 44 4.776 -4.372 4.923 1.00 0.00 N ATOM 653 CA ILE A 44 3.408 -4.075 4.515 1.00 0.00 C ATOM 654 C ILE A 44 2.927 -5.236 3.631 1.00 0.00 C ATOM 655 O ILE A 44 1.809 -5.723 3.834 1.00 0.00 O ATOM 656 CB ILE A 44 3.326 -2.685 3.832 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.913 -1.579 4.742 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.879 -2.296 3.460 1.00 0.00 C ATOM 659 CD1 ILE A 44 4.014 -0.199 4.086 1.00 0.00 C ATOM 0 H ILE A 44 5.473 -3.759 4.501 1.00 0.00 H new ATOM 0 HA ILE A 44 2.740 -4.001 5.373 1.00 0.00 H new ATOM 0 HB ILE A 44 3.913 -2.767 2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.295 -1.497 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.907 -1.885 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.877 -1.315 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.470 -3.034 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.268 -2.264 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.436 0.512 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.658 -0.260 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.021 0.134 3.785 1.00 0.00 H new ATOM 671 N ILE A 45 3.750 -5.717 2.686 1.00 0.00 N ATOM 672 CA ILE A 45 3.368 -6.830 1.808 1.00 0.00 C ATOM 673 C ILE A 45 3.167 -8.096 2.640 1.00 0.00 C ATOM 674 O ILE A 45 2.193 -8.813 2.418 1.00 0.00 O ATOM 675 CB ILE A 45 4.365 -7.074 0.649 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.539 -5.822 -0.241 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.840 -8.234 -0.223 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.830 -5.074 0.090 1.00 0.00 C ATOM 0 H ILE A 45 4.686 -5.350 2.512 1.00 0.00 H new ATOM 0 HA ILE A 45 2.429 -6.553 1.329 1.00 0.00 H new ATOM 0 HB ILE A 45 5.335 -7.314 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.548 -6.118 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.687 -5.156 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.534 -8.416 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.752 -9.135 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.862 -7.972 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.919 -4.200 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.809 -4.756 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.684 -5.732 -0.071 1.00 0.00 H new ATOM 690 N GLN A 46 4.020 -8.355 3.638 1.00 0.00 N ATOM 691 CA GLN A 46 3.901 -9.546 4.483 1.00 0.00 C ATOM 692 C GLN A 46 2.523 -9.655 5.156 1.00 0.00 C ATOM 693 O GLN A 46 2.085 -10.754 5.501 1.00 0.00 O ATOM 694 CB GLN A 46 5.040 -9.576 5.515 1.00 0.00 C ATOM 695 CG GLN A 46 6.401 -9.808 4.837 1.00 0.00 C ATOM 696 CD GLN A 46 7.498 -10.182 5.832 1.00 0.00 C ATOM 697 OE1 GLN A 46 7.687 -9.524 6.857 1.00 0.00 O ATOM 698 NE2 GLN A 46 8.213 -11.259 5.563 1.00 0.00 N ATOM 0 H GLN A 46 4.805 -7.750 3.880 1.00 0.00 H new ATOM 0 HA GLN A 46 3.991 -10.421 3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.061 -8.635 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.854 -10.366 6.242 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.303 -10.601 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.694 -8.905 4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.038 -11.787 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.940 -11.563 6.210 1.00 0.00 H new ATOM 707 N SER A 47 1.802 -8.545 5.342 1.00 0.00 N ATOM 708 CA SER A 47 0.482 -8.595 5.956 1.00 0.00 C ATOM 709 C SER A 47 -0.543 -9.144 4.948 1.00 0.00 C ATOM 710 O SER A 47 -1.521 -9.788 5.340 1.00 0.00 O ATOM 711 CB SER A 47 0.115 -7.190 6.460 1.00 0.00 C ATOM 712 OG SER A 47 -1.073 -7.211 7.229 1.00 0.00 O ATOM 0 H SER A 47 2.112 -7.610 5.077 1.00 0.00 H new ATOM 0 HA SER A 47 0.480 -9.271 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.933 -6.793 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.011 -6.519 5.611 1.00 0.00 H new ATOM 0 HG SER A 47 -1.280 -6.304 7.537 1.00 0.00 H new ATOM 718 N ARG A 48 -0.313 -8.949 3.647 1.00 0.00 N ATOM 719 CA ARG A 48 -1.195 -9.379 2.565 1.00 0.00 C ATOM 720 C ARG A 48 -0.849 -10.719 1.947 1.00 0.00 C ATOM 721 O ARG A 48 -1.757 -11.401 1.466 1.00 0.00 O ATOM 722 CB ARG A 48 -1.161 -8.332 1.452 1.00 0.00 C ATOM 723 CG ARG A 48 -1.479 -6.912 1.909 1.00 0.00 C ATOM 724 CD ARG A 48 -2.869 -6.702 2.511 1.00 0.00 C ATOM 725 NE ARG A 48 -2.861 -6.826 3.983 1.00 0.00 N ATOM 726 CZ ARG A 48 -3.798 -7.344 4.786 1.00 0.00 C ATOM 727 NH1 ARG A 48 -4.795 -8.073 4.311 1.00 0.00 N ATOM 728 NH2 ARG A 48 -3.740 -7.123 6.090 1.00 0.00 N ATOM 0 H ARG A 48 0.522 -8.471 3.309 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.179 -9.489 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.172 -8.340 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.873 -8.619 0.678 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.735 -6.613 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.368 -6.243 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.239 -5.715 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.560 -7.432 2.090 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.028 -6.468 4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.863 -8.253 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.495 -8.455 4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.983 -6.560 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.452 -7.516 6.706 1.00 0.00 H new ATOM 742 N GLU A 49 0.424 -11.101 1.952 1.00 0.00 N ATOM 743 CA GLU A 49 0.883 -12.355 1.370 1.00 0.00 C ATOM 744 C GLU A 49 1.355 -13.252 2.520 1.00 0.00 C ATOM 745 O GLU A 49 2.480 -13.087 2.993 1.00 0.00 O ATOM 746 CB GLU A 49 1.953 -12.102 0.290 1.00 0.00 C ATOM 747 CG GLU A 49 1.556 -11.090 -0.805 1.00 0.00 C ATOM 748 CD GLU A 49 0.143 -11.274 -1.385 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.199 -12.393 -1.838 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.663 -10.315 -1.342 1.00 0.00 O ATOM 0 H GLU A 49 1.172 -10.543 2.364 1.00 0.00 H new ATOM 0 HA GLU A 49 0.079 -12.870 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.861 -11.748 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.197 -13.052 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.634 -10.084 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.277 -11.158 -1.619 1.00 0.00 H new ATOM 757 N PRO A 50 0.520 -14.190 3.014 1.00 0.00 N ATOM 758 CA PRO A 50 0.895 -15.069 4.122 1.00 0.00 C ATOM 759 C PRO A 50 2.069 -15.997 3.789 1.00 0.00 C ATOM 760 O PRO A 50 2.711 -16.523 4.701 1.00 0.00 O ATOM 761 CB PRO A 50 -0.375 -15.843 4.481 1.00 0.00 C ATOM 762 CG PRO A 50 -1.193 -15.839 3.194 1.00 0.00 C ATOM 763 CD PRO A 50 -0.829 -14.501 2.556 1.00 0.00 C ATOM 0 HA PRO A 50 1.261 -14.486 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.145 -16.859 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.915 -15.364 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.932 -16.678 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.262 -15.912 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.867 -14.564 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.531 -13.723 2.854 1.00 0.00 H new ATOM 771 N SER A 51 2.351 -16.216 2.505 1.00 0.00 N ATOM 772 CA SER A 51 3.443 -17.043 2.022 1.00 0.00 C ATOM 773 C SER A 51 4.755 -16.290 2.259 1.00 0.00 C ATOM 774 O SER A 51 5.652 -16.767 2.952 1.00 0.00 O ATOM 775 CB SER A 51 3.181 -17.360 0.542 1.00 0.00 C ATOM 776 OG SER A 51 2.649 -16.243 -0.164 1.00 0.00 O ATOM 0 H SER A 51 1.802 -15.805 1.750 1.00 0.00 H new ATOM 0 HA SER A 51 3.516 -17.993 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.111 -17.676 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.487 -18.197 0.469 1.00 0.00 H new ATOM 0 HG SER A 51 1.670 -16.288 -0.158 1.00 0.00 H new ATOM 782 N LEU A 52 4.839 -15.061 1.746 1.00 0.00 N ATOM 783 CA LEU A 52 6.010 -14.192 1.879 1.00 0.00 C ATOM 784 C LEU A 52 6.185 -13.683 3.312 1.00 0.00 C ATOM 785 O LEU A 52 7.237 -13.146 3.654 1.00 0.00 O ATOM 786 CB LEU A 52 5.933 -13.013 0.886 1.00 0.00 C ATOM 787 CG LEU A 52 6.423 -13.310 -0.548 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.815 -13.950 -0.611 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.435 -14.196 -1.305 1.00 0.00 C ATOM 0 H LEU A 52 4.080 -14.633 1.216 1.00 0.00 H new ATOM 0 HA LEU A 52 6.887 -14.792 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.898 -12.674 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.520 -12.186 1.286 1.00 0.00 H new ATOM 0 HG LEU A 52 6.491 -12.332 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.087 -14.127 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.544 -13.281 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.805 -14.897 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.812 -14.385 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.318 -15.143 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.470 -13.693 -1.368 1.00 0.00 H new ATOM 801 N LYS A 53 5.183 -13.834 4.183 1.00 0.00 N ATOM 802 CA LYS A 53 5.269 -13.397 5.574 1.00 0.00 C ATOM 803 C LYS A 53 6.357 -14.157 6.328 1.00 0.00 C ATOM 804 O LYS A 53 6.979 -13.591 7.228 1.00 0.00 O ATOM 805 CB LYS A 53 3.907 -13.584 6.250 1.00 0.00 C ATOM 806 CG LYS A 53 3.930 -13.160 7.726 1.00 0.00 C ATOM 807 CD LYS A 53 2.518 -13.108 8.310 1.00 0.00 C ATOM 808 CE LYS A 53 2.493 -12.544 9.733 1.00 0.00 C ATOM 809 NZ LYS A 53 3.314 -13.315 10.683 1.00 0.00 N ATOM 0 H LYS A 53 4.290 -14.263 3.941 1.00 0.00 H new ATOM 0 HA LYS A 53 5.539 -12.341 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.156 -13.001 5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.608 -14.630 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.537 -13.861 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.401 -12.181 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.885 -12.495 7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.092 -14.111 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.846 -11.513 9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.463 -12.522 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.226 -12.901 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.986 -14.302 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.310 -13.287 10.384 1.00 0.00 H new ATOM 823 N ASN A 54 6.553 -15.432 5.992 1.00 0.00 N ATOM 824 CA ASN A 54 7.553 -16.268 6.642 1.00 0.00 C ATOM 825 C ASN A 54 8.946 -16.016 6.074 1.00 0.00 C ATOM 826 O ASN A 54 9.920 -16.458 6.682 1.00 0.00 O ATOM 827 CB ASN A 54 7.162 -17.751 6.522 1.00 0.00 C ATOM 828 CG ASN A 54 5.772 -18.015 7.084 1.00 0.00 C ATOM 829 OD1 ASN A 54 4.908 -18.561 6.404 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.497 -17.622 8.316 1.00 0.00 N ATOM 0 H ASN A 54 6.023 -15.910 5.263 1.00 0.00 H new ATOM 0 HA ASN A 54 7.585 -16.003 7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.194 -18.052 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.891 -18.363 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.565 -17.772 8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.216 -17.169 8.879 1.00 0.00 H new ATOM 837 N SER A 55 9.057 -15.343 4.928 1.00 0.00 N ATOM 838 CA SER A 55 10.333 -15.040 4.307 1.00 0.00 C ATOM 839 C SER A 55 11.004 -13.866 5.033 1.00 0.00 C ATOM 840 O SER A 55 10.357 -13.095 5.754 1.00 0.00 O ATOM 841 CB SER A 55 10.117 -14.735 2.819 1.00 0.00 C ATOM 842 OG SER A 55 9.242 -15.684 2.233 1.00 0.00 O ATOM 0 H SER A 55 8.254 -14.993 4.406 1.00 0.00 H new ATOM 0 HA SER A 55 10.997 -15.900 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.703 -13.733 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.074 -14.746 2.298 1.00 0.00 H new ATOM 0 HG SER A 55 9.359 -15.679 1.260 1.00 0.00 H new ATOM 848 N ASN A 56 12.313 -13.725 4.853 1.00 0.00 N ATOM 849 CA ASN A 56 13.091 -12.658 5.472 1.00 0.00 C ATOM 850 C ASN A 56 12.939 -11.367 4.665 1.00 0.00 C ATOM 851 O ASN A 56 12.851 -11.446 3.442 1.00 0.00 O ATOM 852 CB ASN A 56 14.577 -13.068 5.524 1.00 0.00 C ATOM 853 CG ASN A 56 15.129 -13.099 6.948 1.00 0.00 C ATOM 854 OD1 ASN A 56 14.391 -13.229 7.926 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.432 -12.971 7.113 1.00 0.00 N ATOM 0 H ASN A 56 12.867 -14.352 4.270 1.00 0.00 H new ATOM 0 HA ASN A 56 12.726 -12.488 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.694 -14.053 5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.164 -12.370 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.830 -12.980 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.041 -12.864 6.302 1.00 0.00 H new ATOM 862 N PRO A 57 12.985 -10.170 5.276 1.00 0.00 N ATOM 863 CA PRO A 57 12.857 -8.923 4.530 1.00 0.00 C ATOM 864 C PRO A 57 13.993 -8.730 3.523 1.00 0.00 C ATOM 865 O PRO A 57 13.777 -8.127 2.476 1.00 0.00 O ATOM 866 CB PRO A 57 12.807 -7.812 5.575 1.00 0.00 C ATOM 867 CG PRO A 57 13.450 -8.423 6.811 1.00 0.00 C ATOM 868 CD PRO A 57 13.081 -9.903 6.700 1.00 0.00 C ATOM 0 HA PRO A 57 11.954 -8.922 3.920 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.350 -6.928 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 57 11.782 -7.500 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.530 -8.276 6.817 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.063 -7.979 7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.838 -10.533 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.137 -10.112 7.203 1.00 0.00 H new ATOM 876 N ASP A 58 15.200 -9.212 3.823 1.00 0.00 N ATOM 877 CA ASP A 58 16.349 -9.103 2.913 1.00 0.00 C ATOM 878 C ASP A 58 16.225 -10.079 1.735 1.00 0.00 C ATOM 879 O ASP A 58 16.920 -9.934 0.737 1.00 0.00 O ATOM 880 CB ASP A 58 17.643 -9.384 3.678 1.00 0.00 C ATOM 881 CG ASP A 58 18.887 -9.185 2.812 1.00 0.00 C ATOM 882 OD1 ASP A 58 19.272 -8.020 2.565 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.575 -10.180 2.487 1.00 0.00 O ATOM 0 H ASP A 58 15.412 -9.688 4.700 1.00 0.00 H new ATOM 0 HA ASP A 58 16.368 -8.089 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.699 -8.727 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.625 -10.407 4.054 1.00 0.00 H new ATOM 888 N GLU A 59 15.341 -11.073 1.841 1.00 0.00 N ATOM 889 CA GLU A 59 15.088 -12.096 0.831 1.00 0.00 C ATOM 890 C GLU A 59 13.871 -11.733 -0.036 1.00 0.00 C ATOM 891 O GLU A 59 13.559 -12.456 -0.984 1.00 0.00 O ATOM 892 CB GLU A 59 14.868 -13.440 1.549 1.00 0.00 C ATOM 893 CG GLU A 59 16.127 -13.986 2.248 1.00 0.00 C ATOM 894 CD GLU A 59 17.088 -14.669 1.276 1.00 0.00 C ATOM 895 OE1 GLU A 59 16.665 -15.647 0.619 1.00 0.00 O ATOM 896 OE2 GLU A 59 18.288 -14.310 1.216 1.00 0.00 O ATOM 0 H GLU A 59 14.758 -11.190 2.670 1.00 0.00 H new ATOM 0 HA GLU A 59 15.945 -12.168 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.076 -13.321 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.519 -14.175 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.644 -13.168 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.831 -14.696 3.020 1.00 0.00 H new ATOM 903 N ILE A 60 13.172 -10.633 0.268 1.00 0.00 N ATOM 904 CA ILE A 60 11.996 -10.183 -0.479 1.00 0.00 C ATOM 905 C ILE A 60 12.369 -8.996 -1.380 1.00 0.00 C ATOM 906 O ILE A 60 13.130 -8.104 -0.989 1.00 0.00 O ATOM 907 CB ILE A 60 10.854 -9.836 0.507 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.373 -11.091 1.270 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.637 -9.205 -0.203 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.628 -10.747 2.565 1.00 0.00 C ATOM 0 H ILE A 60 13.412 -10.024 1.050 1.00 0.00 H new ATOM 0 HA ILE A 60 11.639 -10.982 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 60 11.272 -9.110 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.718 -11.676 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.232 -11.719 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.864 -8.980 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.943 -8.285 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.244 -9.904 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.313 -11.666 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.289 -10.187 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.752 -10.143 2.331 1.00 0.00 H new ATOM 922 N GLU A 61 11.784 -8.976 -2.580 1.00 0.00 N ATOM 923 CA GLU A 61 11.934 -7.964 -3.622 1.00 0.00 C ATOM 924 C GLU A 61 10.519 -7.494 -3.990 1.00 0.00 C ATOM 925 O GLU A 61 9.551 -8.246 -3.823 1.00 0.00 O ATOM 926 CB GLU A 61 12.706 -8.544 -4.816 1.00 0.00 C ATOM 927 CG GLU A 61 14.180 -8.814 -4.462 1.00 0.00 C ATOM 928 CD GLU A 61 14.848 -9.765 -5.452 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.422 -10.941 -5.542 1.00 0.00 O ATOM 930 OE2 GLU A 61 15.840 -9.389 -6.118 1.00 0.00 O ATOM 0 H GLU A 61 11.149 -9.721 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 61 12.517 -7.108 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.233 -9.471 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.654 -7.850 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.726 -7.871 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.239 -9.237 -3.459 1.00 0.00 H new ATOM 937 N ILE A 62 10.379 -6.265 -4.491 1.00 0.00 N ATOM 938 CA ILE A 62 9.108 -5.655 -4.868 1.00 0.00 C ATOM 939 C ILE A 62 8.963 -5.623 -6.389 1.00 0.00 C ATOM 940 O ILE A 62 9.869 -5.191 -7.115 1.00 0.00 O ATOM 941 CB ILE A 62 9.002 -4.223 -4.275 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.224 -4.227 -2.746 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.645 -3.575 -4.623 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.103 -2.848 -2.078 1.00 0.00 C ATOM 0 H ILE A 62 11.176 -5.648 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 62 8.296 -6.257 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 62 9.793 -3.625 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.501 -4.902 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.214 -4.632 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.600 -2.574 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.539 -3.512 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.837 -4.181 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.274 -2.947 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.845 -2.172 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.105 -2.446 -2.251 1.00 0.00 H new ATOM 956 N ASP A 63 7.789 -6.033 -6.863 1.00 0.00 N ATOM 957 CA ASP A 63 7.394 -6.060 -8.259 1.00 0.00 C ATOM 958 C ASP A 63 5.947 -5.625 -8.275 1.00 0.00 C ATOM 959 O ASP A 63 5.069 -6.312 -7.763 1.00 0.00 O ATOM 960 CB ASP A 63 7.568 -7.433 -8.918 1.00 0.00 C ATOM 961 CG ASP A 63 8.824 -7.450 -9.769 1.00 0.00 C ATOM 962 OD1 ASP A 63 8.879 -6.672 -10.752 1.00 0.00 O ATOM 963 OD2 ASP A 63 9.760 -8.211 -9.451 1.00 0.00 O ATOM 0 H ASP A 63 7.052 -6.373 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 63 8.035 -5.400 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.628 -8.207 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.699 -7.661 -9.535 1.00 0.00 H new ATOM 968 N PHE A 64 5.675 -4.442 -8.817 1.00 0.00 N ATOM 969 CA PHE A 64 4.307 -3.927 -8.888 1.00 0.00 C ATOM 970 C PHE A 64 3.486 -4.783 -9.849 1.00 0.00 C ATOM 971 O PHE A 64 2.259 -4.735 -9.886 1.00 0.00 O ATOM 972 CB PHE A 64 4.338 -2.476 -9.362 1.00 0.00 C ATOM 973 CG PHE A 64 4.991 -1.550 -8.362 1.00 0.00 C ATOM 974 CD1 PHE A 64 6.391 -1.411 -8.294 1.00 0.00 C ATOM 975 CD2 PHE A 64 4.181 -0.852 -7.458 1.00 0.00 C ATOM 976 CE1 PHE A 64 6.972 -0.560 -7.338 1.00 0.00 C ATOM 977 CE2 PHE A 64 4.768 -0.032 -6.488 1.00 0.00 C ATOM 978 CZ PHE A 64 6.160 0.140 -6.435 1.00 0.00 C ATOM 0 H PHE A 64 6.380 -3.821 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 64 3.845 -3.969 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.875 -2.419 -10.309 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.319 -2.138 -9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.020 -1.960 -8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.106 -0.946 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.045 -0.445 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.141 0.476 -5.770 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.601 0.804 -5.706 1.00 0.00 H new ATOM 988 N GLU A 65 4.205 -5.570 -10.632 1.00 0.00 N ATOM 989 CA GLU A 65 3.779 -6.483 -11.642 1.00 0.00 C ATOM 990 C GLU A 65 3.162 -7.749 -11.046 1.00 0.00 C ATOM 991 O GLU A 65 2.227 -8.289 -11.638 1.00 0.00 O ATOM 992 CB GLU A 65 5.017 -6.793 -12.508 1.00 0.00 C ATOM 993 CG GLU A 65 5.988 -5.610 -12.737 1.00 0.00 C ATOM 994 CD GLU A 65 7.001 -5.837 -13.866 1.00 0.00 C ATOM 995 OE1 GLU A 65 7.211 -6.993 -14.292 1.00 0.00 O ATOM 996 OE2 GLU A 65 7.530 -4.829 -14.394 1.00 0.00 O ATOM 0 H GLU A 65 5.222 -5.572 -10.552 1.00 0.00 H new ATOM 0 HA GLU A 65 2.988 -6.042 -12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.570 -7.608 -12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.678 -7.154 -13.479 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.407 -4.715 -12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.530 -5.415 -11.812 1.00 0.00 H new ATOM 1003 N THR A 66 3.618 -8.210 -9.881 1.00 0.00 N ATOM 1004 CA THR A 66 3.101 -9.415 -9.237 1.00 0.00 C ATOM 1005 C THR A 66 2.119 -9.079 -8.112 1.00 0.00 C ATOM 1006 O THR A 66 1.235 -9.881 -7.808 1.00 0.00 O ATOM 1007 CB THR A 66 4.292 -10.225 -8.688 1.00 0.00 C ATOM 1008 OG1 THR A 66 5.155 -9.384 -7.947 1.00 0.00 O ATOM 1009 CG2 THR A 66 5.106 -10.844 -9.826 1.00 0.00 C ATOM 0 H THR A 66 4.363 -7.753 -9.355 1.00 0.00 H new ATOM 0 HA THR A 66 2.552 -10.002 -9.973 1.00 0.00 H new ATOM 0 HB THR A 66 3.885 -11.013 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.907 -9.909 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.940 -11.410 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.469 -11.510 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.489 -10.053 -10.471 1.00 0.00 H new ATOM 1017 N LEU A 67 2.220 -7.882 -7.524 1.00 0.00 N ATOM 1018 CA LEU A 67 1.354 -7.480 -6.419 1.00 0.00 C ATOM 1019 C LEU A 67 -0.095 -7.254 -6.851 1.00 0.00 C ATOM 1020 O LEU A 67 -0.405 -7.091 -8.037 1.00 0.00 O ATOM 1021 CB LEU A 67 1.932 -6.240 -5.713 1.00 0.00 C ATOM 1022 CG LEU A 67 3.256 -6.488 -4.954 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.660 -5.207 -4.215 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.193 -7.687 -3.999 1.00 0.00 C ATOM 0 H LEU A 67 2.899 -7.173 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 67 1.329 -8.308 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.095 -5.459 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.191 -5.861 -5.009 1.00 0.00 H new ATOM 0 HG LEU A 67 4.017 -6.745 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.593 -5.376 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.796 -4.400 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.878 -4.934 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.154 -7.805 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.415 -7.519 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.965 -8.591 -4.564 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.003 -7.272 -5.874 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.437 -7.061 -6.071 1.00 0.00 C ATOM 1038 C LYS A 68 -2.756 -5.577 -5.854 1.00 0.00 C ATOM 1039 O LYS A 68 -2.002 -4.903 -5.143 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.243 -7.865 -5.029 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.301 -9.388 -5.212 1.00 0.00 C ATOM 1042 CD LYS A 68 -2.020 -10.126 -4.794 1.00 0.00 C ATOM 1043 CE LYS A 68 -2.333 -11.500 -4.189 1.00 0.00 C ATOM 1044 NZ LYS A 68 -3.082 -12.400 -5.094 1.00 0.00 N ATOM 0 H LYS A 68 -0.754 -7.438 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.702 -7.382 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.823 -7.659 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.265 -7.486 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.137 -9.780 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.508 -9.608 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.371 -10.249 -5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.473 -9.524 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.397 -11.983 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.909 -11.360 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.256 -13.307 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.991 -11.962 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.526 -12.565 -5.958 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.890 -5.065 -6.372 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.293 -3.673 -6.174 1.00 0.00 C ATOM 1060 C PRO A 69 -4.403 -3.363 -4.681 1.00 0.00 C ATOM 1061 O PRO A 69 -4.058 -2.274 -4.229 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.633 -3.517 -6.906 1.00 0.00 C ATOM 1063 CG PRO A 69 -6.143 -4.944 -7.097 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.853 -5.747 -7.224 1.00 0.00 C ATOM 0 HA PRO A 69 -3.563 -2.967 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.335 -2.921 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.504 -3.012 -7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.745 -5.276 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.766 -5.036 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.999 -6.779 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.510 -5.779 -8.258 1.00 0.00 H new ATOM 1072 N SER A 70 -4.866 -4.335 -3.902 1.00 0.00 N ATOM 1073 CA SER A 70 -5.040 -4.249 -2.468 1.00 0.00 C ATOM 1074 C SER A 70 -3.705 -4.093 -1.733 1.00 0.00 C ATOM 1075 O SER A 70 -3.644 -3.421 -0.705 1.00 0.00 O ATOM 1076 CB SER A 70 -5.809 -5.501 -2.032 1.00 0.00 C ATOM 1077 OG SER A 70 -5.358 -6.620 -2.785 1.00 0.00 O ATOM 0 H SER A 70 -5.141 -5.243 -4.277 1.00 0.00 H new ATOM 0 HA SER A 70 -5.606 -3.355 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.659 -5.681 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.879 -5.355 -2.183 1.00 0.00 H new ATOM 0 HG SER A 70 -5.848 -7.421 -2.506 1.00 0.00 H new ATOM 1083 N THR A 71 -2.625 -4.700 -2.231 1.00 0.00 N ATOM 1084 CA THR A 71 -1.298 -4.589 -1.642 1.00 0.00 C ATOM 1085 C THR A 71 -0.876 -3.126 -1.785 1.00 0.00 C ATOM 1086 O THR A 71 -0.668 -2.437 -0.780 1.00 0.00 O ATOM 1087 CB THR A 71 -0.309 -5.564 -2.314 1.00 0.00 C ATOM 1088 OG1 THR A 71 -0.916 -6.804 -2.644 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.857 -5.832 -1.370 1.00 0.00 C ATOM 0 H THR A 71 -2.653 -5.288 -3.064 1.00 0.00 H new ATOM 0 HA THR A 71 -1.304 -4.869 -0.589 1.00 0.00 H new ATOM 0 HB THR A 71 0.032 -5.095 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.226 -7.443 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.557 -6.521 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.366 -4.895 -1.145 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.483 -6.272 -0.446 1.00 0.00 H new ATOM 1097 N LEU A 72 -0.842 -2.644 -3.032 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.456 -1.288 -3.401 1.00 0.00 C ATOM 1099 C LEU A 72 -1.273 -0.235 -2.653 1.00 0.00 C ATOM 1100 O LEU A 72 -0.722 0.779 -2.246 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.531 -1.115 -4.924 1.00 0.00 C ATOM 1102 CG LEU A 72 0.252 -2.152 -5.747 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.118 -1.822 -7.231 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.730 -2.243 -5.368 1.00 0.00 C ATOM 0 H LEU A 72 -1.093 -3.214 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 72 0.579 -1.131 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.578 -1.153 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.162 -0.121 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.182 -3.127 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.672 -2.555 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.934 -1.848 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.520 -0.827 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.219 -2.994 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.206 -1.275 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.820 -2.525 -4.319 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.561 -0.477 -2.392 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.419 0.466 -1.669 1.00 0.00 C ATOM 1118 C ARG A 73 -2.849 0.866 -0.310 1.00 0.00 C ATOM 1119 O ARG A 73 -3.056 1.997 0.127 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.815 -0.156 -1.488 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.727 0.110 -2.691 1.00 0.00 C ATOM 1122 CD ARG A 73 -6.297 1.526 -2.642 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.302 1.694 -1.583 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.745 2.868 -1.119 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -7.257 4.022 -1.562 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.682 2.858 -0.185 1.00 0.00 N ATOM 0 H ARG A 73 -3.038 -1.333 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.479 1.377 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.716 -1.231 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.277 0.248 -0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.166 -0.028 -3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.542 -0.614 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.485 2.235 -2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.746 1.767 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.693 0.848 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.526 4.027 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.613 4.903 -1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.047 1.971 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.039 3.737 0.188 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.176 -0.043 0.392 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.598 0.270 1.698 1.00 0.00 C ATOM 1142 C GLU A 74 -0.225 0.904 1.532 1.00 0.00 C ATOM 1143 O GLU A 74 0.164 1.755 2.328 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.490 -1.011 2.524 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.869 -1.554 2.937 1.00 0.00 C ATOM 1146 CD GLU A 74 -3.530 -0.724 4.023 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -4.005 0.403 3.756 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -3.545 -1.217 5.176 1.00 0.00 O ATOM 0 H GLU A 74 -2.017 -1.001 0.080 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.244 0.980 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.961 -1.770 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.896 -0.817 3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.519 -1.583 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.760 -2.580 3.287 1.00 0.00 H new ATOM 1155 N LEU A 75 0.518 0.482 0.507 1.00 0.00 N ATOM 1156 CA LEU A 75 1.845 1.009 0.228 1.00 0.00 C ATOM 1157 C LEU A 75 1.710 2.495 -0.151 1.00 0.00 C ATOM 1158 O LEU A 75 2.558 3.295 0.239 1.00 0.00 O ATOM 1159 CB LEU A 75 2.545 0.154 -0.841 1.00 0.00 C ATOM 1160 CG LEU A 75 2.799 -1.316 -0.427 1.00 0.00 C ATOM 1161 CD1 LEU A 75 2.785 -2.274 -1.621 1.00 0.00 C ATOM 1162 CD2 LEU A 75 4.162 -1.454 0.243 1.00 0.00 C ATOM 0 H LEU A 75 0.212 -0.235 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 75 2.485 0.954 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.940 0.163 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.500 0.617 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 75 1.990 -1.578 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.968 -3.291 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.813 -2.228 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.563 -1.986 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.324 -2.494 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.942 -1.142 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.196 -0.825 1.133 1.00 0.00 H new ATOM 1174 N GLU A 76 0.640 2.888 -0.859 1.00 0.00 N ATOM 1175 CA GLU A 76 0.380 4.277 -1.242 1.00 0.00 C ATOM 1176 C GLU A 76 0.161 5.081 0.047 1.00 0.00 C ATOM 1177 O GLU A 76 0.884 6.027 0.335 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.843 4.350 -2.179 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.302 5.785 -2.523 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.386 6.542 -3.493 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -0.167 6.044 -4.620 1.00 0.00 O ATOM 1182 OE2 GLU A 76 0.012 7.689 -3.190 1.00 0.00 O ATOM 0 H GLU A 76 -0.076 2.238 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 76 1.223 4.697 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.607 3.826 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.673 3.818 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.302 5.737 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.380 6.357 -1.599 1.00 0.00 H new ATOM 1189 N ARG A 77 -0.818 4.665 0.853 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.209 5.290 2.112 1.00 0.00 C ATOM 1191 C ARG A 77 -0.008 5.552 3.015 1.00 0.00 C ATOM 1192 O ARG A 77 0.108 6.637 3.600 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.239 4.370 2.790 1.00 0.00 C ATOM 1194 CG ARG A 77 -2.936 5.068 3.962 1.00 0.00 C ATOM 1195 CD ARG A 77 -3.955 4.178 4.685 1.00 0.00 C ATOM 1196 NE ARG A 77 -5.025 3.722 3.789 1.00 0.00 N ATOM 1197 CZ ARG A 77 -6.153 4.355 3.455 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.524 5.481 4.063 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.877 3.845 2.475 1.00 0.00 N ATOM 0 H ARG A 77 -1.384 3.845 0.633 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.650 6.268 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.984 4.056 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.742 3.468 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.183 5.400 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.442 5.961 3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.444 3.313 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.391 4.730 5.518 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.890 2.803 3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.942 5.878 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.390 5.946 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.568 2.996 2.002 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.745 4.300 2.192 1.00 0.00 H new ATOM 1213 N TYR A 78 0.875 4.561 3.119 1.00 0.00 N ATOM 1214 CA TYR A 78 2.075 4.606 3.929 1.00 0.00 C ATOM 1215 C TYR A 78 2.959 5.798 3.567 1.00 0.00 C ATOM 1216 O TYR A 78 3.298 6.575 4.466 1.00 0.00 O ATOM 1217 CB TYR A 78 2.844 3.277 3.820 1.00 0.00 C ATOM 1218 CG TYR A 78 4.214 3.282 4.483 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.322 3.282 5.886 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.386 3.296 3.699 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.584 3.323 6.504 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.654 3.315 4.311 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.758 3.330 5.720 1.00 0.00 C ATOM 1224 OH TYR A 78 7.974 3.393 6.327 1.00 0.00 O ATOM 0 H TYR A 78 0.764 3.677 2.622 1.00 0.00 H new ATOM 0 HA TYR A 78 1.776 4.743 4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.242 2.486 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.966 3.028 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.429 3.250 6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.311 3.292 2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.656 3.349 7.581 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.547 3.318 3.703 1.00 0.00 H new ATOM 0 HH TYR A 78 8.652 2.990 5.745 1.00 0.00 H new ATOM 1234 N VAL A 79 3.347 5.965 2.299 1.00 0.00 N ATOM 1235 CA VAL A 79 4.219 7.071 1.912 1.00 0.00 C ATOM 1236 C VAL A 79 3.525 8.421 2.023 1.00 0.00 C ATOM 1237 O VAL A 79 4.130 9.350 2.553 1.00 0.00 O ATOM 1238 CB VAL A 79 4.846 6.873 0.519 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.370 5.441 0.342 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.911 7.245 -0.637 1.00 0.00 C ATOM 0 H VAL A 79 3.072 5.353 1.531 1.00 0.00 H new ATOM 0 HA VAL A 79 5.039 7.069 2.631 1.00 0.00 H new ATOM 0 HB VAL A 79 5.684 7.569 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.806 5.333 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.130 5.236 1.096 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.547 4.736 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.422 7.079 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.015 6.626 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.630 8.295 -0.555 1.00 0.00 H new ATOM 1250 N THR A 80 2.259 8.533 1.609 1.00 0.00 N ATOM 1251 CA THR A 80 1.539 9.800 1.657 1.00 0.00 C ATOM 1252 C THR A 80 1.500 10.377 3.075 1.00 0.00 C ATOM 1253 O THR A 80 1.474 11.597 3.243 1.00 0.00 O ATOM 1254 CB THR A 80 0.123 9.624 1.086 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.116 8.816 -0.069 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.518 10.952 0.681 1.00 0.00 C ATOM 0 H THR A 80 1.714 7.756 1.236 1.00 0.00 H new ATOM 0 HA THR A 80 2.076 10.519 1.039 1.00 0.00 H new ATOM 0 HB THR A 80 -0.441 9.159 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.230 7.877 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.517 10.768 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.588 11.603 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.093 11.433 -0.083 1.00 0.00 H new ATOM 1264 N SER A 81 1.516 9.525 4.099 1.00 0.00 N ATOM 1265 CA SER A 81 1.476 9.955 5.489 1.00 0.00 C ATOM 1266 C SER A 81 2.799 10.605 5.922 1.00 0.00 C ATOM 1267 O SER A 81 2.807 11.512 6.748 1.00 0.00 O ATOM 1268 CB SER A 81 1.177 8.716 6.342 1.00 0.00 C ATOM 1269 OG SER A 81 0.640 9.029 7.605 1.00 0.00 O ATOM 0 H SER A 81 1.557 8.512 3.983 1.00 0.00 H new ATOM 0 HA SER A 81 0.703 10.713 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.478 8.074 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.096 8.145 6.476 1.00 0.00 H new ATOM 0 HG SER A 81 0.469 8.202 8.102 1.00 0.00 H new ATOM 1275 N CYS A 82 3.924 10.137 5.373 1.00 0.00 N ATOM 1276 CA CYS A 82 5.260 10.622 5.683 1.00 0.00 C ATOM 1277 C CYS A 82 5.667 11.788 4.789 1.00 0.00 C ATOM 1278 O CYS A 82 6.108 12.835 5.271 1.00 0.00 O ATOM 1279 CB CYS A 82 6.235 9.450 5.483 1.00 0.00 C ATOM 1280 SG CYS A 82 7.962 9.935 5.751 1.00 0.00 S ATOM 0 H CYS A 82 3.923 9.388 4.681 1.00 0.00 H new ATOM 0 HA CYS A 82 5.279 10.987 6.710 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.976 8.644 6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 82 6.123 9.056 4.473 1.00 0.00 H new ATOM 0 HG CYS A 82 8.540 10.134 4.604 1.00 0.00 H new ATOM 1286 N LEU A 83 5.562 11.592 3.474 1.00 0.00 N ATOM 1287 CA LEU A 83 5.942 12.570 2.467 1.00 0.00 C ATOM 1288 C LEU A 83 5.118 13.843 2.540 1.00 0.00 C ATOM 1289 O LEU A 83 5.605 14.898 2.129 1.00 0.00 O ATOM 1290 CB LEU A 83 5.866 11.963 1.059 1.00 0.00 C ATOM 1291 CG LEU A 83 6.746 10.714 0.865 1.00 0.00 C ATOM 1292 CD1 LEU A 83 6.594 10.236 -0.575 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.233 10.965 1.151 1.00 0.00 C ATOM 0 H LEU A 83 5.201 10.726 3.075 1.00 0.00 H new ATOM 0 HA LEU A 83 6.974 12.847 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.830 11.702 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.162 12.719 0.332 1.00 0.00 H new ATOM 0 HG LEU A 83 6.409 9.965 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.211 9.351 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.550 9.990 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.913 11.025 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.794 10.044 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.608 11.737 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.355 11.293 2.183 1.00 0.00 H new