USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 THR OG1 : rot 170:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0182) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= -0.0784 (180deg=-1.09) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.526 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 169:sc= -1.85 (180deg=-2.21) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -62:sc= 0.543 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -126:sc= -0.11 (180deg=-0.729) USER MOD Single : A 64 GLN : amide:sc= -0.0429 K(o=-0.043,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.741 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.455) USER MOD ----------------------------------------------------------------- ATOM 132 N GLU A 12 -5.604 5.883 -9.974 1.00 0.00 N ATOM 133 CA GLU A 12 -4.418 6.367 -9.277 1.00 0.00 C ATOM 134 C GLU A 12 -4.412 5.897 -7.824 1.00 0.00 C ATOM 135 O GLU A 12 -3.957 6.613 -6.932 1.00 0.00 O ATOM 136 CB GLU A 12 -4.355 7.894 -9.331 1.00 0.00 C ATOM 137 CG GLU A 12 -5.536 8.577 -8.662 1.00 0.00 C ATOM 138 CD GLU A 12 -5.833 9.941 -9.254 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.398 10.201 -10.395 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.502 10.748 -8.575 1.00 0.00 O ATOM 0 HA GLU A 12 -3.541 5.957 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.434 8.228 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.306 8.210 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.418 7.944 -8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.333 8.684 -7.596 1.00 0.00 H new ATOM 147 N ILE A 13 -4.921 4.692 -7.596 1.00 0.00 N ATOM 148 CA ILE A 13 -4.974 4.127 -6.254 1.00 0.00 C ATOM 149 C ILE A 13 -4.756 2.618 -6.283 1.00 0.00 C ATOM 150 O ILE A 13 -5.190 1.936 -7.212 1.00 0.00 O ATOM 151 CB ILE A 13 -6.321 4.427 -5.569 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.710 5.891 -5.780 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.245 4.101 -4.085 1.00 0.00 C ATOM 154 CD1 ILE A 13 -7.860 6.342 -4.907 1.00 0.00 C ATOM 0 H ILE A 13 -5.303 4.088 -8.324 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.173 4.596 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.089 3.798 -6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.844 6.521 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.978 6.040 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.204 4.318 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.009 3.045 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.467 4.706 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.082 7.390 -5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.740 5.737 -5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.588 6.225 -3.858 1.00 0.00 H new ATOM 166 N ILE A 14 -4.084 2.102 -5.259 1.00 0.00 N ATOM 167 CA ILE A 14 -3.812 0.674 -5.167 1.00 0.00 C ATOM 168 C ILE A 14 -4.075 0.154 -3.757 1.00 0.00 C ATOM 169 O ILE A 14 -3.635 0.749 -2.774 1.00 0.00 O ATOM 170 CB ILE A 14 -2.357 0.351 -5.557 1.00 0.00 C ATOM 171 CG1 ILE A 14 -1.854 1.348 -6.604 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.253 -1.073 -6.082 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.366 1.258 -6.858 1.00 0.00 C ATOM 0 H ILE A 14 -3.718 2.652 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.486 0.179 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.731 0.437 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.385 1.178 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.098 2.359 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.219 -1.286 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.576 -1.770 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.889 -1.184 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.080 1.993 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.174 1.458 -5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.118 0.258 -7.214 1.00 0.00 H new ATOM 185 N GLU A 15 -4.794 -0.960 -3.668 1.00 0.00 N ATOM 186 CA GLU A 15 -5.114 -1.560 -2.378 1.00 0.00 C ATOM 187 C GLU A 15 -4.550 -2.975 -2.281 1.00 0.00 C ATOM 188 O GLU A 15 -4.886 -3.845 -3.083 1.00 0.00 O ATOM 189 CB GLU A 15 -6.630 -1.588 -2.166 1.00 0.00 C ATOM 190 CG GLU A 15 -7.061 -2.413 -0.965 1.00 0.00 C ATOM 191 CD GLU A 15 -8.564 -2.601 -0.896 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.294 -1.773 -1.480 1.00 0.00 O ATOM 193 OE2 GLU A 15 -9.010 -3.578 -0.258 1.00 0.00 O ATOM 0 H GLU A 15 -5.166 -1.465 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.656 -0.951 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.990 -0.567 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.106 -1.988 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.578 -3.389 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.717 -1.926 -0.052 1.00 0.00 H new ATOM 200 N GLY A 16 -3.690 -3.196 -1.292 1.00 0.00 N ATOM 201 CA GLY A 16 -3.092 -4.505 -1.108 1.00 0.00 C ATOM 202 C GLY A 16 -2.883 -4.847 0.354 1.00 0.00 C ATOM 203 O GLY A 16 -3.002 -3.983 1.223 1.00 0.00 O ATOM 0 H GLY A 16 -3.397 -2.492 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.730 -5.260 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.134 -4.539 -1.627 1.00 0.00 H new ATOM 207 N GLU A 17 -2.572 -6.110 0.627 1.00 0.00 N ATOM 208 CA GLU A 17 -2.349 -6.563 1.995 1.00 0.00 C ATOM 209 C GLU A 17 -0.907 -6.311 2.424 1.00 0.00 C ATOM 210 O GLU A 17 0.014 -6.997 1.980 1.00 0.00 O ATOM 211 CB GLU A 17 -2.677 -8.052 2.123 1.00 0.00 C ATOM 212 CG GLU A 17 -2.397 -8.621 3.503 1.00 0.00 C ATOM 213 CD GLU A 17 -2.507 -10.133 3.545 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.645 -10.647 3.528 1.00 0.00 O ATOM 215 OE2 GLU A 17 -1.454 -10.802 3.594 1.00 0.00 O ATOM 0 H GLU A 17 -2.469 -6.837 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.009 -5.995 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.729 -8.205 1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.097 -8.608 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.396 -8.325 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.097 -8.190 4.218 1.00 0.00 H new ATOM 222 N VAL A 18 -0.718 -5.320 3.289 1.00 0.00 N ATOM 223 CA VAL A 18 0.612 -4.976 3.779 1.00 0.00 C ATOM 224 C VAL A 18 1.427 -6.228 4.083 1.00 0.00 C ATOM 225 O VAL A 18 1.092 -6.995 4.985 1.00 0.00 O ATOM 226 CB VAL A 18 0.535 -4.106 5.048 1.00 0.00 C ATOM 227 CG1 VAL A 18 1.889 -3.483 5.351 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.532 -3.032 4.893 1.00 0.00 C ATOM 0 H VAL A 18 -1.469 -4.741 3.665 1.00 0.00 H new ATOM 0 HA VAL A 18 1.104 -4.409 2.988 1.00 0.00 H new ATOM 0 HB VAL A 18 0.258 -4.743 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.815 -2.872 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.625 -4.271 5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.198 -2.859 4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.573 -2.427 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.287 -2.396 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.501 -3.503 4.727 1.00 0.00 H new ATOM 238 N VAL A 19 2.499 -6.428 3.323 1.00 0.00 N ATOM 239 CA VAL A 19 3.364 -7.587 3.512 1.00 0.00 C ATOM 240 C VAL A 19 4.619 -7.214 4.293 1.00 0.00 C ATOM 241 O VAL A 19 4.945 -7.843 5.299 1.00 0.00 O ATOM 242 CB VAL A 19 3.777 -8.205 2.163 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.664 -9.421 2.381 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.546 -8.571 1.347 1.00 0.00 C ATOM 0 H VAL A 19 2.789 -5.803 2.571 1.00 0.00 H new ATOM 0 HA VAL A 19 2.791 -8.321 4.079 1.00 0.00 H new ATOM 0 HB VAL A 19 4.349 -7.465 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.945 -9.844 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.562 -9.124 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.121 -10.168 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.856 -9.006 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.945 -9.294 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.954 -7.675 1.160 1.00 0.00 H new ATOM 254 N GLU A 20 5.319 -6.186 3.823 1.00 0.00 N ATOM 255 CA GLU A 20 6.539 -5.730 4.478 1.00 0.00 C ATOM 256 C GLU A 20 6.657 -4.210 4.412 1.00 0.00 C ATOM 257 O GLU A 20 6.345 -3.597 3.391 1.00 0.00 O ATOM 258 CB GLU A 20 7.765 -6.376 3.828 1.00 0.00 C ATOM 259 CG GLU A 20 9.083 -5.933 4.441 1.00 0.00 C ATOM 260 CD GLU A 20 10.228 -6.866 4.100 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.200 -8.029 4.554 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.152 -6.434 3.380 1.00 0.00 O ATOM 0 H GLU A 20 5.062 -5.654 2.992 1.00 0.00 H new ATOM 0 HA GLU A 20 6.492 -6.028 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.681 -7.460 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.770 -6.137 2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.322 -4.928 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.975 -5.877 5.524 1.00 0.00 H new ATOM 269 N ILE A 21 7.107 -3.610 5.509 1.00 0.00 N ATOM 270 CA ILE A 21 7.266 -2.162 5.576 1.00 0.00 C ATOM 271 C ILE A 21 8.680 -1.784 6.005 1.00 0.00 C ATOM 272 O ILE A 21 8.995 -1.771 7.195 1.00 0.00 O ATOM 273 CB ILE A 21 6.258 -1.530 6.554 1.00 0.00 C ATOM 274 CG1 ILE A 21 4.826 -1.813 6.097 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.498 -0.032 6.667 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.784 -1.510 7.152 1.00 0.00 C ATOM 0 H ILE A 21 7.368 -4.103 6.363 1.00 0.00 H new ATOM 0 HA ILE A 21 7.078 -1.777 4.574 1.00 0.00 H new ATOM 0 HB ILE A 21 6.400 -1.976 7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.613 -1.221 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.746 -2.861 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.778 0.400 7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.509 0.148 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.380 0.430 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.792 -1.734 6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.971 -2.122 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.837 -0.456 7.423 1.00 0.00 H new ATOM 288 N GLN A 22 9.526 -1.475 5.028 1.00 0.00 N ATOM 289 CA GLN A 22 10.906 -1.095 5.306 1.00 0.00 C ATOM 290 C GLN A 22 11.076 0.420 5.248 1.00 0.00 C ATOM 291 O GLN A 22 10.390 1.102 4.485 1.00 0.00 O ATOM 292 CB GLN A 22 11.852 -1.764 4.307 1.00 0.00 C ATOM 293 CG GLN A 22 12.163 -3.214 4.642 1.00 0.00 C ATOM 294 CD GLN A 22 13.319 -3.353 5.614 1.00 0.00 C ATOM 295 OE1 GLN A 22 13.134 -3.760 6.761 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.520 -3.016 5.159 1.00 0.00 N ATOM 0 H GLN A 22 9.281 -1.480 4.038 1.00 0.00 H new ATOM 0 HA GLN A 22 11.153 -1.432 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.409 -1.716 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.784 -1.201 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.276 -3.683 5.068 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.398 -3.753 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.627 -2.683 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.335 -3.090 5.768 1.00 0.00 H new ATOM 305 N ILE A 23 11.992 0.939 6.058 1.00 0.00 N ATOM 306 CA ILE A 23 12.251 2.373 6.098 1.00 0.00 C ATOM 307 C ILE A 23 13.748 2.660 6.133 1.00 0.00 C ATOM 308 O ILE A 23 14.466 2.164 7.002 1.00 0.00 O ATOM 309 CB ILE A 23 11.585 3.032 7.320 1.00 0.00 C ATOM 310 CG1 ILE A 23 10.074 2.792 7.296 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.889 4.522 7.351 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.389 3.373 6.080 1.00 0.00 C ATOM 0 H ILE A 23 12.567 0.388 6.695 1.00 0.00 H new ATOM 0 HA ILE A 23 11.823 2.796 5.189 1.00 0.00 H new ATOM 0 HB ILE A 23 11.992 2.579 8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.884 1.719 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.631 3.224 8.193 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.411 4.973 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.967 4.672 7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.507 4.990 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.320 3.165 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.548 4.451 6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.804 2.923 5.178 1.00 0.00 H new ATOM 437 N LYS A 33 13.522 11.840 3.320 1.00 0.00 N ATOM 438 CA LYS A 33 13.203 10.531 3.876 1.00 0.00 C ATOM 439 C LYS A 33 12.618 9.614 2.807 1.00 0.00 C ATOM 440 O LYS A 33 11.826 10.046 1.969 1.00 0.00 O ATOM 441 CB LYS A 33 12.215 10.675 5.036 1.00 0.00 C ATOM 442 CG LYS A 33 12.885 10.859 6.386 1.00 0.00 C ATOM 443 CD LYS A 33 12.031 10.303 7.514 1.00 0.00 C ATOM 444 CE LYS A 33 12.198 8.797 7.648 1.00 0.00 C ATOM 445 NZ LYS A 33 11.287 8.228 8.679 1.00 0.00 N ATOM 0 HA LYS A 33 14.126 10.085 4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.564 11.528 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.579 9.790 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.854 10.361 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.072 11.919 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.306 10.786 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.983 10.539 7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.000 8.323 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.231 8.568 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.382 7.192 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.537 8.611 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.304 8.482 8.452 1.00 0.00 H new ATOM 459 N VAL A 34 13.012 8.345 2.842 1.00 0.00 N ATOM 460 CA VAL A 34 12.524 7.366 1.878 1.00 0.00 C ATOM 461 C VAL A 34 12.113 6.071 2.569 1.00 0.00 C ATOM 462 O VAL A 34 12.592 5.757 3.658 1.00 0.00 O ATOM 463 CB VAL A 34 13.590 7.050 0.812 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.197 8.333 0.266 1.00 0.00 C ATOM 465 CG2 VAL A 34 14.667 6.144 1.389 1.00 0.00 C ATOM 0 H VAL A 34 13.668 7.971 3.528 1.00 0.00 H new ATOM 0 HA VAL A 34 11.653 7.807 1.392 1.00 0.00 H new ATOM 0 HB VAL A 34 13.109 6.525 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.948 8.089 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.414 8.942 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.664 8.889 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.412 5.931 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.146 6.640 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.215 5.211 1.726 1.00 0.00 H new ATOM 475 N GLY A 35 11.221 5.321 1.928 1.00 0.00 N ATOM 476 CA GLY A 35 10.761 4.068 2.496 1.00 0.00 C ATOM 477 C GLY A 35 10.291 3.090 1.438 1.00 0.00 C ATOM 478 O GLY A 35 9.987 3.481 0.311 1.00 0.00 O ATOM 0 H GLY A 35 10.809 5.559 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.568 3.615 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.945 4.266 3.192 1.00 0.00 H new ATOM 482 N LYS A 36 10.232 1.812 1.800 1.00 0.00 N ATOM 483 CA LYS A 36 9.797 0.774 0.874 1.00 0.00 C ATOM 484 C LYS A 36 8.645 -0.034 1.464 1.00 0.00 C ATOM 485 O LYS A 36 8.720 -0.501 2.601 1.00 0.00 O ATOM 486 CB LYS A 36 10.963 -0.156 0.532 1.00 0.00 C ATOM 487 CG LYS A 36 11.829 0.348 -0.609 1.00 0.00 C ATOM 488 CD LYS A 36 12.466 -0.800 -1.375 1.00 0.00 C ATOM 489 CE LYS A 36 13.076 -0.325 -2.685 1.00 0.00 C ATOM 490 NZ LYS A 36 12.043 0.201 -3.620 1.00 0.00 N ATOM 0 H LYS A 36 10.480 1.471 2.729 1.00 0.00 H new ATOM 0 HA LYS A 36 9.448 1.259 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.584 -0.287 1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.569 -1.138 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.224 0.948 -1.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.608 1.000 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.237 -1.265 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.716 -1.564 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.812 0.453 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.608 -1.150 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.097 -0.313 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.099 0.071 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.210 1.214 -3.788 1.00 0.00 H new ATOM 504 N LEU A 37 7.582 -0.196 0.685 1.00 0.00 N ATOM 505 CA LEU A 37 6.414 -0.949 1.130 1.00 0.00 C ATOM 506 C LEU A 37 6.047 -2.032 0.121 1.00 0.00 C ATOM 507 O LEU A 37 6.118 -1.817 -1.090 1.00 0.00 O ATOM 508 CB LEU A 37 5.226 -0.009 1.342 1.00 0.00 C ATOM 509 CG LEU A 37 3.840 -0.647 1.247 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.529 -1.437 2.509 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.779 0.417 1.006 1.00 0.00 C ATOM 0 H LEU A 37 7.504 0.184 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 37 6.662 -1.430 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.325 0.453 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.286 0.792 0.605 1.00 0.00 H new ATOM 0 HG LEU A 37 3.834 -1.335 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.539 -1.884 2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.272 -2.224 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.553 -0.770 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.799 -0.055 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.785 1.130 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.993 0.939 0.073 1.00 0.00 H new ATOM 523 N THR A 38 5.652 -3.196 0.626 1.00 0.00 N ATOM 524 CA THR A 38 5.272 -4.312 -0.231 1.00 0.00 C ATOM 525 C THR A 38 3.837 -4.748 0.039 1.00 0.00 C ATOM 526 O THR A 38 3.456 -4.993 1.184 1.00 0.00 O ATOM 527 CB THR A 38 6.209 -5.518 -0.031 1.00 0.00 C ATOM 528 OG1 THR A 38 7.567 -5.128 -0.265 1.00 0.00 O ATOM 529 CG2 THR A 38 5.834 -6.656 -0.968 1.00 0.00 C ATOM 0 H THR A 38 5.587 -3.391 1.625 1.00 0.00 H new ATOM 0 HA THR A 38 5.356 -3.963 -1.260 1.00 0.00 H new ATOM 0 HB THR A 38 6.103 -5.865 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.156 -5.900 -0.134 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.510 -7.496 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.810 -6.970 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.913 -6.318 -2.001 1.00 0.00 H new ATOM 537 N LEU A 39 3.044 -4.845 -1.023 1.00 0.00 N ATOM 538 CA LEU A 39 1.649 -5.253 -0.901 1.00 0.00 C ATOM 539 C LEU A 39 1.334 -6.405 -1.850 1.00 0.00 C ATOM 540 O LEU A 39 1.756 -6.405 -3.006 1.00 0.00 O ATOM 541 CB LEU A 39 0.723 -4.070 -1.192 1.00 0.00 C ATOM 542 CG LEU A 39 0.243 -3.279 0.025 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.408 -2.559 0.687 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.840 -2.288 -0.376 1.00 0.00 C ATOM 0 H LEU A 39 3.343 -4.647 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 39 1.484 -5.593 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.241 -3.386 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.151 -4.441 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.181 -3.979 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.047 -2.001 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.150 -3.289 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.862 -1.870 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.170 -1.734 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.441 -1.593 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.686 -2.827 -0.804 1.00 0.00 H new ATOM 556 N LYS A 40 0.586 -7.386 -1.354 1.00 0.00 N ATOM 557 CA LYS A 40 0.210 -8.543 -2.158 1.00 0.00 C ATOM 558 C LYS A 40 -1.110 -8.297 -2.881 1.00 0.00 C ATOM 559 O LYS A 40 -2.185 -8.431 -2.295 1.00 0.00 O ATOM 560 CB LYS A 40 0.096 -9.787 -1.274 1.00 0.00 C ATOM 561 CG LYS A 40 -0.182 -11.062 -2.052 1.00 0.00 C ATOM 562 CD LYS A 40 -0.273 -12.268 -1.133 1.00 0.00 C ATOM 563 CE LYS A 40 -1.557 -12.252 -0.318 1.00 0.00 C ATOM 564 NZ LYS A 40 -1.930 -13.613 0.158 1.00 0.00 N ATOM 0 H LYS A 40 0.228 -7.402 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 40 0.988 -8.705 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.022 -9.909 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.701 -9.634 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.114 -10.955 -2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.608 -11.221 -2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.228 -13.182 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.585 -12.281 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.435 -11.589 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.366 -11.845 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.810 -13.559 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.071 -14.240 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.169 -13.992 0.757 1.00 0.00 H new ATOM 621 N MET A 44 -0.012 -11.449 -6.602 1.00 0.00 N ATOM 622 CA MET A 44 1.372 -11.017 -6.760 1.00 0.00 C ATOM 623 C MET A 44 1.676 -9.828 -5.853 1.00 0.00 C ATOM 624 O MET A 44 0.800 -9.012 -5.570 1.00 0.00 O ATOM 625 CB MET A 44 1.650 -10.646 -8.217 1.00 0.00 C ATOM 626 CG MET A 44 1.261 -9.218 -8.566 1.00 0.00 C ATOM 627 SD MET A 44 1.878 -8.704 -10.180 1.00 0.00 S ATOM 628 CE MET A 44 1.218 -7.042 -10.282 1.00 0.00 C ATOM 0 HA MET A 44 2.020 -11.845 -6.474 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.711 -10.785 -8.423 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.107 -11.331 -8.868 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.175 -9.128 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.647 -8.543 -7.802 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.515 -6.590 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.130 -7.078 -10.223 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.606 -6.445 -9.457 1.00 0.00 H new ATOM 638 N GLU A 45 2.923 -9.739 -5.401 1.00 0.00 N ATOM 639 CA GLU A 45 3.341 -8.650 -4.526 1.00 0.00 C ATOM 640 C GLU A 45 4.158 -7.616 -5.295 1.00 0.00 C ATOM 641 O GLU A 45 4.998 -7.964 -6.126 1.00 0.00 O ATOM 642 CB GLU A 45 4.161 -9.194 -3.354 1.00 0.00 C ATOM 643 CG GLU A 45 3.311 -9.756 -2.226 1.00 0.00 C ATOM 644 CD GLU A 45 4.000 -10.884 -1.483 1.00 0.00 C ATOM 645 OE1 GLU A 45 4.895 -11.524 -2.073 1.00 0.00 O ATOM 646 OE2 GLU A 45 3.645 -11.125 -0.310 1.00 0.00 O ATOM 0 H GLU A 45 3.660 -10.407 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 45 2.445 -8.165 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.828 -9.975 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.791 -8.396 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.071 -8.957 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.367 -10.117 -2.633 1.00 0.00 H new ATOM 653 N THR A 46 3.905 -6.341 -5.013 1.00 0.00 N ATOM 654 CA THR A 46 4.615 -5.256 -5.679 1.00 0.00 C ATOM 655 C THR A 46 5.156 -4.252 -4.668 1.00 0.00 C ATOM 656 O THR A 46 4.554 -4.028 -3.618 1.00 0.00 O ATOM 657 CB THR A 46 3.704 -4.520 -6.679 1.00 0.00 C ATOM 658 OG1 THR A 46 2.950 -5.467 -7.445 1.00 0.00 O ATOM 659 CG2 THR A 46 4.524 -3.643 -7.614 1.00 0.00 C ATOM 0 H THR A 46 3.214 -6.035 -4.328 1.00 0.00 H new ATOM 0 HA THR A 46 5.447 -5.707 -6.220 1.00 0.00 H new ATOM 0 HB THR A 46 3.022 -3.884 -6.114 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.262 -4.997 -7.960 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.859 -3.133 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.074 -2.904 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.227 -4.263 -8.170 1.00 0.00 H new ATOM 667 N ILE A 47 6.296 -3.650 -4.992 1.00 0.00 N ATOM 668 CA ILE A 47 6.917 -2.668 -4.112 1.00 0.00 C ATOM 669 C ILE A 47 6.504 -1.250 -4.492 1.00 0.00 C ATOM 670 O ILE A 47 6.302 -0.945 -5.668 1.00 0.00 O ATOM 671 CB ILE A 47 8.453 -2.771 -4.149 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.898 -4.198 -3.826 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.074 -1.783 -3.172 1.00 0.00 C ATOM 674 CD1 ILE A 47 9.074 -5.068 -5.051 1.00 0.00 C ATOM 0 H ILE A 47 6.808 -3.825 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 47 6.571 -2.886 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 47 8.795 -2.522 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.840 -4.161 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.163 -4.659 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.160 -1.868 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.780 -0.769 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.728 -2.003 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.390 -6.066 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.128 -5.136 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.831 -4.631 -5.702 1.00 0.00 H new ATOM 686 N TYR A 48 6.382 -0.386 -3.490 1.00 0.00 N ATOM 687 CA TYR A 48 5.993 1.000 -3.719 1.00 0.00 C ATOM 688 C TYR A 48 7.050 1.959 -3.179 1.00 0.00 C ATOM 689 O TYR A 48 7.556 1.782 -2.071 1.00 0.00 O ATOM 690 CB TYR A 48 4.643 1.288 -3.061 1.00 0.00 C ATOM 691 CG TYR A 48 3.525 0.399 -3.558 1.00 0.00 C ATOM 692 CD1 TYR A 48 3.451 0.023 -4.893 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.542 -0.065 -2.692 1.00 0.00 C ATOM 694 CE1 TYR A 48 2.432 -0.788 -5.352 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.520 -0.878 -3.141 1.00 0.00 C ATOM 696 CZ TYR A 48 1.469 -1.237 -4.472 1.00 0.00 C ATOM 697 OH TYR A 48 0.451 -2.045 -4.924 1.00 0.00 O ATOM 0 H TYR A 48 6.547 -0.621 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 48 5.905 1.153 -4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.741 1.166 -1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.375 2.329 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.204 0.371 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.578 0.215 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.389 -1.069 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.765 -1.231 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.142 -2.273 -4.178 1.00 0.00 H new ATOM 707 N ASP A 49 7.376 2.975 -3.970 1.00 0.00 N ATOM 708 CA ASP A 49 8.371 3.964 -3.572 1.00 0.00 C ATOM 709 C ASP A 49 7.776 4.969 -2.590 1.00 0.00 C ATOM 710 O ASP A 49 6.900 5.758 -2.947 1.00 0.00 O ATOM 711 CB ASP A 49 8.915 4.694 -4.801 1.00 0.00 C ATOM 712 CG ASP A 49 7.906 5.657 -5.396 1.00 0.00 C ATOM 713 OD1 ASP A 49 6.812 5.200 -5.791 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.210 6.866 -5.467 1.00 0.00 O ATOM 0 H ASP A 49 6.966 3.135 -4.890 1.00 0.00 H new ATOM 0 HA ASP A 49 9.190 3.441 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.817 5.241 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.204 3.963 -5.556 1.00 0.00 H new ATOM 719 N LEU A 50 8.256 4.933 -1.352 1.00 0.00 N ATOM 720 CA LEU A 50 7.771 5.840 -0.317 1.00 0.00 C ATOM 721 C LEU A 50 8.687 7.052 -0.182 1.00 0.00 C ATOM 722 O LEU A 50 9.886 6.969 -0.442 1.00 0.00 O ATOM 723 CB LEU A 50 7.673 5.110 1.024 1.00 0.00 C ATOM 724 CG LEU A 50 6.934 3.771 1.006 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.131 3.035 2.322 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.453 3.983 0.728 1.00 0.00 C ATOM 0 H LEU A 50 8.980 4.286 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 50 6.780 6.187 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.683 4.940 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.176 5.767 1.737 1.00 0.00 H new ATOM 0 HG LEU A 50 7.350 3.159 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.598 2.085 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.194 2.850 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.743 3.642 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.943 3.020 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.023 4.614 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.330 4.468 -0.241 1.00 0.00 H new ATOM 738 N GLY A 51 8.112 8.179 0.228 1.00 0.00 N ATOM 739 CA GLY A 51 8.892 9.392 0.392 1.00 0.00 C ATOM 740 C GLY A 51 9.001 9.819 1.842 1.00 0.00 C ATOM 741 O GLY A 51 9.691 9.178 2.636 1.00 0.00 O ATOM 0 H GLY A 51 7.121 8.273 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.892 9.235 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.435 10.195 -0.187 1.00 0.00 H new ATOM 745 N THR A 52 8.321 10.907 2.191 1.00 0.00 N ATOM 746 CA THR A 52 8.347 11.421 3.554 1.00 0.00 C ATOM 747 C THR A 52 6.943 11.483 4.145 1.00 0.00 C ATOM 748 O THR A 52 6.702 10.999 5.252 1.00 0.00 O ATOM 749 CB THR A 52 8.979 12.824 3.614 1.00 0.00 C ATOM 750 OG1 THR A 52 10.218 12.834 2.896 1.00 0.00 O ATOM 751 CG2 THR A 52 9.218 13.249 5.055 1.00 0.00 C ATOM 0 H THR A 52 7.745 11.449 1.547 1.00 0.00 H new ATOM 0 HA THR A 52 8.955 10.732 4.140 1.00 0.00 H new ATOM 0 HB THR A 52 8.287 13.530 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.613 13.730 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.665 14.243 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.269 13.269 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.892 12.540 5.536 1.00 0.00 H new ATOM 759 N LYS A 53 6.019 12.080 3.401 1.00 0.00 N ATOM 760 CA LYS A 53 4.637 12.204 3.850 1.00 0.00 C ATOM 761 C LYS A 53 3.973 10.834 3.952 1.00 0.00 C ATOM 762 O LYS A 53 3.144 10.600 4.831 1.00 0.00 O ATOM 763 CB LYS A 53 3.846 13.096 2.891 1.00 0.00 C ATOM 764 CG LYS A 53 3.978 14.579 3.192 1.00 0.00 C ATOM 765 CD LYS A 53 3.041 15.008 4.308 1.00 0.00 C ATOM 766 CE LYS A 53 3.047 16.517 4.493 1.00 0.00 C ATOM 767 NZ LYS A 53 2.630 16.910 5.867 1.00 0.00 N ATOM 0 H LYS A 53 6.202 12.486 2.483 1.00 0.00 H new ATOM 0 HA LYS A 53 4.642 12.660 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.184 12.909 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.793 12.817 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.007 14.804 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.761 15.154 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.029 14.672 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.338 14.525 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.046 16.903 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.377 16.975 3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.647 17.946 5.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.667 16.564 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.284 16.495 6.561 1.00 0.00 H new ATOM 781 N MET A 54 4.344 9.933 3.048 1.00 0.00 N ATOM 782 CA MET A 54 3.785 8.586 3.038 1.00 0.00 C ATOM 783 C MET A 54 4.115 7.852 4.334 1.00 0.00 C ATOM 784 O MET A 54 3.286 7.113 4.867 1.00 0.00 O ATOM 785 CB MET A 54 4.321 7.798 1.841 1.00 0.00 C ATOM 786 CG MET A 54 3.567 8.069 0.549 1.00 0.00 C ATOM 787 SD MET A 54 3.584 6.658 -0.573 1.00 0.00 S ATOM 788 CE MET A 54 2.163 7.025 -1.600 1.00 0.00 C ATOM 0 H MET A 54 5.029 10.111 2.313 1.00 0.00 H new ATOM 0 HA MET A 54 2.701 8.669 2.954 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.373 8.043 1.696 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.270 6.733 2.065 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.535 8.330 0.783 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.008 8.931 0.049 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.153 6.356 -2.460 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.250 6.886 -1.021 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.220 8.058 -1.945 1.00 0.00 H new ATOM 798 N ILE A 55 5.328 8.060 4.835 1.00 0.00 N ATOM 799 CA ILE A 55 5.765 7.418 6.068 1.00 0.00 C ATOM 800 C ILE A 55 5.034 7.993 7.276 1.00 0.00 C ATOM 801 O ILE A 55 4.568 7.253 8.142 1.00 0.00 O ATOM 802 CB ILE A 55 7.283 7.576 6.278 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.050 6.901 5.139 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.695 6.992 7.621 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.521 7.251 5.111 1.00 0.00 C ATOM 0 H ILE A 55 6.025 8.668 4.406 1.00 0.00 H new ATOM 0 HA ILE A 55 5.528 6.358 5.973 1.00 0.00 H new ATOM 0 HB ILE A 55 7.527 8.638 6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.944 5.820 5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.599 7.186 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.770 7.111 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.170 7.513 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.441 5.932 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.001 6.737 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.637 8.328 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.987 6.940 6.046 1.00 0.00 H new ATOM 817 N GLU A 56 4.936 9.318 7.326 1.00 0.00 N ATOM 818 CA GLU A 56 4.260 9.993 8.428 1.00 0.00 C ATOM 819 C GLU A 56 2.898 9.360 8.700 1.00 0.00 C ATOM 820 O GLU A 56 2.427 9.339 9.837 1.00 0.00 O ATOM 821 CB GLU A 56 4.090 11.481 8.118 1.00 0.00 C ATOM 822 CG GLU A 56 5.394 12.261 8.146 1.00 0.00 C ATOM 823 CD GLU A 56 5.198 13.711 8.547 1.00 0.00 C ATOM 824 OE1 GLU A 56 4.258 14.348 8.029 1.00 0.00 O ATOM 825 OE2 GLU A 56 5.986 14.207 9.379 1.00 0.00 O ATOM 0 H GLU A 56 5.316 9.945 6.617 1.00 0.00 H new ATOM 0 HA GLU A 56 4.877 9.884 9.320 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.633 11.589 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.400 11.917 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.083 11.785 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.859 12.220 7.161 1.00 0.00 H new ATOM 832 N SER A 57 2.270 8.847 7.647 1.00 0.00 N ATOM 833 CA SER A 57 0.960 8.218 7.769 1.00 0.00 C ATOM 834 C SER A 57 1.076 6.845 8.426 1.00 0.00 C ATOM 835 O SER A 57 0.331 6.522 9.352 1.00 0.00 O ATOM 836 CB SER A 57 0.304 8.083 6.394 1.00 0.00 C ATOM 837 OG SER A 57 0.083 9.355 5.808 1.00 0.00 O ATOM 0 H SER A 57 2.647 8.855 6.699 1.00 0.00 H new ATOM 0 HA SER A 57 0.338 8.853 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.939 7.484 5.742 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.644 7.553 6.490 1.00 0.00 H new ATOM 0 HG SER A 57 -0.336 9.242 4.929 1.00 0.00 H new ATOM 843 N LEU A 58 2.016 6.042 7.941 1.00 0.00 N ATOM 844 CA LEU A 58 2.231 4.703 8.479 1.00 0.00 C ATOM 845 C LEU A 58 2.535 4.760 9.973 1.00 0.00 C ATOM 846 O LEU A 58 2.461 3.749 10.672 1.00 0.00 O ATOM 847 CB LEU A 58 3.379 4.013 7.740 1.00 0.00 C ATOM 848 CG LEU A 58 3.249 3.942 6.218 1.00 0.00 C ATOM 849 CD1 LEU A 58 4.066 2.783 5.667 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.789 3.808 5.812 1.00 0.00 C ATOM 0 H LEU A 58 2.642 6.294 7.176 1.00 0.00 H new ATOM 0 HA LEU A 58 1.316 4.128 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.306 4.534 7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.474 2.998 8.125 1.00 0.00 H new ATOM 0 HG LEU A 58 3.638 4.868 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.962 2.748 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.116 2.922 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.707 1.848 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.717 3.759 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.373 2.898 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.230 4.671 6.174 1.00 0.00 H new ATOM 862 N THR A 59 2.877 5.950 10.458 1.00 0.00 N ATOM 863 CA THR A 59 3.191 6.139 11.868 1.00 0.00 C ATOM 864 C THR A 59 1.948 6.529 12.661 1.00 0.00 C ATOM 865 O THR A 59 1.586 5.866 13.633 1.00 0.00 O ATOM 866 CB THR A 59 4.271 7.221 12.063 1.00 0.00 C ATOM 867 OG1 THR A 59 3.708 8.519 11.848 1.00 0.00 O ATOM 868 CG2 THR A 59 5.434 7.002 11.108 1.00 0.00 C ATOM 0 H THR A 59 2.943 6.797 9.894 1.00 0.00 H new ATOM 0 HA THR A 59 3.570 5.186 12.238 1.00 0.00 H new ATOM 0 HB THR A 59 4.643 7.152 13.085 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.382 8.585 10.926 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.184 7.778 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.879 6.025 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.074 7.047 10.080 1.00 0.00 H new ATOM 876 N LYS A 60 1.298 7.608 12.239 1.00 0.00 N ATOM 877 CA LYS A 60 0.094 8.086 12.908 1.00 0.00 C ATOM 878 C LYS A 60 -0.859 6.933 13.204 1.00 0.00 C ATOM 879 O LYS A 60 -1.594 6.960 14.191 1.00 0.00 O ATOM 880 CB LYS A 60 -0.611 9.135 12.045 1.00 0.00 C ATOM 881 CG LYS A 60 -1.655 9.941 12.799 1.00 0.00 C ATOM 882 CD LYS A 60 -2.373 10.919 11.883 1.00 0.00 C ATOM 883 CE LYS A 60 -1.623 12.238 11.780 1.00 0.00 C ATOM 884 NZ LYS A 60 -2.444 13.293 11.123 1.00 0.00 N ATOM 0 H LYS A 60 1.585 8.168 11.436 1.00 0.00 H new ATOM 0 HA LYS A 60 0.390 8.541 13.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.134 9.816 11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.088 8.638 11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.381 9.265 13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.177 10.487 13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.478 10.480 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.380 11.100 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.335 12.571 12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.703 12.089 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.898 14.176 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.698 12.987 10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.310 13.453 11.676 1.00 0.00 H new ATOM 898 N ASP A 61 -0.839 5.920 12.344 1.00 0.00 N ATOM 899 CA ASP A 61 -1.699 4.755 12.515 1.00 0.00 C ATOM 900 C ASP A 61 -0.873 3.509 12.817 1.00 0.00 C ATOM 901 O ASP A 61 -1.419 2.436 13.078 1.00 0.00 O ATOM 902 CB ASP A 61 -2.544 4.530 11.261 1.00 0.00 C ATOM 903 CG ASP A 61 -3.813 5.360 11.261 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.516 5.368 12.293 1.00 0.00 O ATOM 905 OD2 ASP A 61 -4.104 6.000 10.229 1.00 0.00 O ATOM 0 H ASP A 61 -0.237 5.882 11.522 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.361 4.944 13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.953 4.776 10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.804 3.474 11.186 1.00 0.00 H new ATOM 910 N LYS A 62 0.447 3.657 12.779 1.00 0.00 N ATOM 911 CA LYS A 62 1.351 2.544 13.048 1.00 0.00 C ATOM 912 C LYS A 62 1.012 1.344 12.170 1.00 0.00 C ATOM 913 O LYS A 62 0.884 0.221 12.659 1.00 0.00 O ATOM 914 CB LYS A 62 1.278 2.147 14.524 1.00 0.00 C ATOM 915 CG LYS A 62 1.676 3.263 15.475 1.00 0.00 C ATOM 916 CD LYS A 62 3.185 3.431 15.536 1.00 0.00 C ATOM 917 CE LYS A 62 3.809 2.489 16.555 1.00 0.00 C ATOM 918 NZ LYS A 62 3.326 2.766 17.936 1.00 0.00 N ATOM 0 H LYS A 62 0.915 4.537 12.564 1.00 0.00 H new ATOM 0 HA LYS A 62 2.366 2.867 12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.262 1.829 14.756 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.928 1.288 14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.218 4.198 15.153 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.292 3.047 16.472 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.614 3.240 14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.427 4.462 15.795 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.574 1.459 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.894 2.587 16.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.141 2.914 18.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.732 3.620 17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.767 1.958 18.277 1.00 0.00 H new ATOM 932 N VAL A 63 0.869 1.587 10.871 1.00 0.00 N ATOM 933 CA VAL A 63 0.548 0.525 9.925 1.00 0.00 C ATOM 934 C VAL A 63 1.636 -0.543 9.908 1.00 0.00 C ATOM 935 O VAL A 63 2.822 -0.232 9.804 1.00 0.00 O ATOM 936 CB VAL A 63 0.366 1.080 8.500 1.00 0.00 C ATOM 937 CG1 VAL A 63 -0.082 -0.022 7.551 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.629 2.231 8.500 1.00 0.00 C ATOM 0 H VAL A 63 0.970 2.510 10.450 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.390 0.079 10.256 1.00 0.00 H new ATOM 0 HB VAL A 63 1.326 1.459 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.205 0.389 6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.669 -0.811 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.031 -0.434 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.746 2.611 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.593 1.879 8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.263 3.029 9.146 1.00 0.00 H new ATOM 948 N GLN A 64 1.223 -1.802 10.010 1.00 0.00 N ATOM 949 CA GLN A 64 2.163 -2.916 10.006 1.00 0.00 C ATOM 950 C GLN A 64 1.720 -3.999 9.027 1.00 0.00 C ATOM 951 O GLN A 64 0.699 -3.861 8.354 1.00 0.00 O ATOM 952 CB GLN A 64 2.293 -3.506 11.412 1.00 0.00 C ATOM 953 CG GLN A 64 3.276 -2.756 12.297 1.00 0.00 C ATOM 954 CD GLN A 64 4.688 -3.297 12.190 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.998 -4.081 11.293 1.00 0.00 O ATOM 956 NE2 GLN A 64 5.553 -2.879 13.107 1.00 0.00 N ATOM 0 H GLN A 64 0.244 -2.076 10.096 1.00 0.00 H new ATOM 0 HA GLN A 64 3.134 -2.538 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.313 -3.505 11.889 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.608 -4.546 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.274 -1.701 12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.945 -2.817 13.334 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.252 -2.228 13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.518 -3.208 13.085 1.00 0.00 H new ATOM 965 N ALA A 65 2.495 -5.076 8.953 1.00 0.00 N ATOM 966 CA ALA A 65 2.182 -6.182 8.058 1.00 0.00 C ATOM 967 C ALA A 65 0.940 -6.933 8.526 1.00 0.00 C ATOM 968 O ALA A 65 0.637 -6.969 9.718 1.00 0.00 O ATOM 969 CB ALA A 65 3.367 -7.131 7.956 1.00 0.00 C ATOM 0 H ALA A 65 3.344 -5.206 9.503 1.00 0.00 H new ATOM 0 HA ALA A 65 1.975 -5.769 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.119 -7.952 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.232 -6.593 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.601 -7.528 8.944 1.00 0.00 H new ATOM 975 N GLY A 66 0.222 -7.530 7.579 1.00 0.00 N ATOM 976 CA GLY A 66 -0.980 -8.271 7.916 1.00 0.00 C ATOM 977 C GLY A 66 -2.241 -7.461 7.694 1.00 0.00 C ATOM 978 O GLY A 66 -3.308 -8.018 7.434 1.00 0.00 O ATOM 0 H GLY A 66 0.451 -7.514 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.024 -9.179 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.931 -8.582 8.959 1.00 0.00 H new ATOM 982 N ASP A 67 -2.121 -6.142 7.798 1.00 0.00 N ATOM 983 CA ASP A 67 -3.261 -5.253 7.607 1.00 0.00 C ATOM 984 C ASP A 67 -3.380 -4.826 6.147 1.00 0.00 C ATOM 985 O ASP A 67 -2.499 -5.106 5.335 1.00 0.00 O ATOM 986 CB ASP A 67 -3.129 -4.020 8.503 1.00 0.00 C ATOM 987 CG ASP A 67 -3.705 -4.245 9.887 1.00 0.00 C ATOM 988 OD1 ASP A 67 -4.875 -4.672 9.981 1.00 0.00 O ATOM 989 OD2 ASP A 67 -2.985 -3.996 10.876 1.00 0.00 O ATOM 0 H ASP A 67 -1.246 -5.665 8.014 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.164 -5.797 7.882 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.077 -3.749 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.637 -3.178 8.034 1.00 0.00 H new ATOM 994 N VAL A 68 -4.476 -4.149 5.821 1.00 0.00 N ATOM 995 CA VAL A 68 -4.710 -3.683 4.459 1.00 0.00 C ATOM 996 C VAL A 68 -4.724 -2.160 4.394 1.00 0.00 C ATOM 997 O VAL A 68 -5.511 -1.507 5.078 1.00 0.00 O ATOM 998 CB VAL A 68 -6.042 -4.222 3.904 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.479 -3.416 2.690 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.915 -5.698 3.556 1.00 0.00 C ATOM 0 H VAL A 68 -5.216 -3.911 6.481 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.890 -4.062 3.849 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.806 -4.118 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.422 -3.811 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.611 -2.372 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.718 -3.487 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.865 -6.063 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.139 -5.829 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.650 -6.261 4.451 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.848 -1.601 3.566 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.760 -0.155 3.409 1.00 0.00 C ATOM 1012 C ILE A 69 -3.777 0.241 1.937 1.00 0.00 C ATOM 1013 O ILE A 69 -3.279 -0.490 1.080 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.485 0.406 4.065 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.242 -0.089 3.322 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.425 0.008 5.533 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.820 0.812 2.183 1.00 0.00 C ATOM 0 H ILE A 69 -3.189 -2.128 2.993 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.632 0.269 3.907 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.512 1.494 4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.417 -0.178 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.436 -1.088 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.518 0.412 5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.296 0.405 6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.418 -1.079 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.067 0.399 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.628 0.881 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.594 1.806 2.570 1.00 0.00 H new ATOM 1029 N THR A 70 -4.353 1.404 1.649 1.00 0.00 N ATOM 1030 CA THR A 70 -4.434 1.899 0.280 1.00 0.00 C ATOM 1031 C THR A 70 -3.378 2.966 0.017 1.00 0.00 C ATOM 1032 O THR A 70 -2.780 3.503 0.950 1.00 0.00 O ATOM 1033 CB THR A 70 -5.826 2.484 -0.023 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.214 3.391 1.015 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.863 1.378 -0.150 1.00 0.00 C ATOM 0 H THR A 70 -4.770 2.021 2.346 1.00 0.00 H new ATOM 0 HA THR A 70 -4.255 1.047 -0.376 1.00 0.00 H new ATOM 0 HB THR A 70 -5.771 3.019 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.099 3.759 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.838 1.816 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.581 0.706 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.914 0.818 0.784 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.154 3.268 -1.257 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.171 4.273 -1.642 1.00 0.00 C ATOM 1045 C ILE A 71 -2.733 5.216 -2.700 1.00 0.00 C ATOM 1046 O ILE A 71 -2.898 4.836 -3.860 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.883 3.623 -2.181 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.187 2.825 -1.076 1.00 0.00 C ATOM 1049 CG2 ILE A 71 0.051 4.685 -2.743 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.746 1.756 -1.599 1.00 0.00 C ATOM 0 H ILE A 71 -3.640 2.831 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.933 4.841 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.149 2.938 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.377 3.511 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.943 2.359 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.957 4.210 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.447 5.214 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.313 5.393 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.204 1.231 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.183 1.048 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.524 2.218 -2.207 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.025 6.446 -2.294 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.566 7.445 -3.208 1.00 0.00 C ATOM 1064 C ASP A 72 -2.444 8.225 -3.887 1.00 0.00 C ATOM 1065 O ASP A 72 -1.857 9.132 -3.295 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.490 8.406 -2.458 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.923 7.912 -2.410 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.129 6.724 -2.085 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.837 8.712 -2.699 1.00 0.00 O ATOM 0 H ASP A 72 -2.896 6.776 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.140 6.926 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.121 8.541 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.462 9.383 -2.940 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.150 7.866 -5.132 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.099 8.531 -5.893 1.00 0.00 C ATOM 1076 C LYS A 73 -1.451 9.994 -6.142 1.00 0.00 C ATOM 1077 O LYS A 73 -0.597 10.874 -6.035 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.876 7.815 -7.226 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.111 6.509 -7.095 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.095 5.738 -8.404 1.00 0.00 C ATOM 1081 CE LYS A 73 1.136 4.852 -8.514 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.548 4.649 -9.931 1.00 0.00 N ATOM 0 H LYS A 73 -2.625 7.117 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.180 8.491 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.843 7.615 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.333 8.479 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.912 6.716 -6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.566 5.896 -6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.993 5.125 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.117 6.437 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.958 5.302 -7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.930 3.886 -8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.390 4.040 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.773 4.197 -10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.769 5.569 -10.363 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.713 10.247 -6.473 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.178 11.604 -6.734 1.00 0.00 C ATOM 1098 C ALA A 74 -2.725 12.560 -5.635 1.00 0.00 C ATOM 1099 O ALA A 74 -2.178 13.628 -5.913 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.693 11.626 -6.864 1.00 0.00 C ATOM 0 H ALA A 74 -3.432 9.530 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.739 11.938 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.027 12.645 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.997 10.981 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.143 11.268 -5.938 1.00 0.00 H new ATOM 1106 N THR A 75 -2.956 12.170 -4.386 1.00 0.00 N ATOM 1107 CA THR A 75 -2.573 12.993 -3.245 1.00 0.00 C ATOM 1108 C THR A 75 -1.270 12.502 -2.625 1.00 0.00 C ATOM 1109 O THR A 75 -0.692 13.165 -1.766 1.00 0.00 O ATOM 1110 CB THR A 75 -3.671 13.001 -2.165 1.00 0.00 C ATOM 1111 OG1 THR A 75 -3.452 11.934 -1.236 1.00 0.00 O ATOM 1112 CG2 THR A 75 -5.049 12.858 -2.793 1.00 0.00 C ATOM 0 H THR A 75 -3.407 11.289 -4.138 1.00 0.00 H new ATOM 0 HA THR A 75 -2.434 14.007 -3.619 1.00 0.00 H new ATOM 0 HB THR A 75 -3.626 13.955 -1.640 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.285 11.740 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.808 12.866 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.225 13.688 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.103 11.917 -3.341 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.812 11.335 -3.068 1.00 0.00 N ATOM 1121 CA GLY A 76 0.421 10.775 -2.546 1.00 0.00 C ATOM 1122 C GLY A 76 0.339 10.475 -1.062 1.00 0.00 C ATOM 1123 O GLY A 76 1.317 10.637 -0.333 1.00 0.00 O ATOM 0 H GLY A 76 -1.273 10.767 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.657 9.858 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.239 11.472 -2.728 1.00 0.00 H new ATOM 1127 N LYS A 77 -0.833 10.037 -0.613 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.041 9.713 0.793 1.00 0.00 C ATOM 1129 C LYS A 77 -1.488 8.264 0.957 1.00 0.00 C ATOM 1130 O LYS A 77 -2.045 7.669 0.035 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.083 10.652 1.405 1.00 0.00 C ATOM 1132 CG LYS A 77 -1.510 11.985 1.856 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.031 11.927 3.297 1.00 0.00 C ATOM 1134 CE LYS A 77 -1.152 13.281 3.979 1.00 0.00 C ATOM 1135 NZ LYS A 77 -2.486 13.464 4.615 1.00 0.00 N ATOM 0 H LYS A 77 -1.653 9.898 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.093 9.843 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.871 10.833 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.548 10.158 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.680 12.264 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.269 12.761 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.615 11.188 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.007 11.596 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.373 13.378 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.987 14.072 3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.529 14.399 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.228 13.397 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.634 12.724 5.331 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.243 7.704 2.137 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.623 6.326 2.422 1.00 0.00 C ATOM 1151 C ILE A 78 -2.748 6.267 3.450 1.00 0.00 C ATOM 1152 O ILE A 78 -2.664 6.884 4.512 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.426 5.507 2.939 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.661 5.417 1.866 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -0.878 4.116 3.360 1.00 0.00 C ATOM 1156 CD1 ILE A 78 2.055 5.257 2.430 1.00 0.00 C ATOM 0 H ILE A 78 -0.783 8.183 2.911 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.969 5.894 1.483 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.009 6.012 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.444 4.574 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.628 6.316 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.021 3.549 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.620 4.199 4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.317 3.602 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.774 5.200 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.292 6.112 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.105 4.343 3.022 1.00 0.00 H new ATOM 1168 N SER A 79 -3.799 5.520 3.128 1.00 0.00 N ATOM 1169 CA SER A 79 -4.942 5.382 4.023 1.00 0.00 C ATOM 1170 C SER A 79 -5.081 3.942 4.507 1.00 0.00 C ATOM 1171 O SER A 79 -4.668 3.002 3.827 1.00 0.00 O ATOM 1172 CB SER A 79 -6.226 5.821 3.316 1.00 0.00 C ATOM 1173 OG SER A 79 -6.464 7.205 3.505 1.00 0.00 O ATOM 0 H SER A 79 -3.883 5.001 2.254 1.00 0.00 H new ATOM 0 HA SER A 79 -4.775 6.024 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.151 5.604 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.070 5.248 3.699 1.00 0.00 H new ATOM 0 HG SER A 79 -7.289 7.461 3.042 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.667 3.776 5.688 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.863 2.452 6.266 1.00 0.00 C ATOM 1181 C LYS A 80 -7.329 2.036 6.186 1.00 0.00 C ATOM 1182 O LYS A 80 -8.228 2.845 6.416 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.396 2.434 7.723 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.940 1.065 8.199 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.445 1.110 9.635 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.569 0.835 10.621 1.00 0.00 C ATOM 1187 NZ LYS A 80 -6.247 2.088 11.054 1.00 0.00 N ATOM 0 H LYS A 80 -6.015 4.543 6.264 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.269 1.741 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.576 3.142 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.210 2.779 8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.766 0.358 8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.144 0.700 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.652 0.374 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.010 2.088 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.299 0.167 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.168 0.319 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.726 1.927 11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.542 2.844 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.948 2.369 10.338 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.562 0.769 5.861 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.919 0.245 5.752 1.00 0.00 C ATOM 1203 C LEU A 81 -9.116 -0.951 6.678 1.00 0.00 C ATOM 1204 O LEU A 81 -8.200 -1.745 6.888 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.217 -0.160 4.308 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.576 0.707 3.223 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -7.184 0.197 2.886 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -9.451 0.736 1.978 1.00 0.00 C ATOM 0 H LEU A 81 -6.829 0.086 5.668 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.611 1.032 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.888 -1.189 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.297 -0.148 4.164 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.486 1.724 3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.743 0.826 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.559 0.228 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.250 -0.829 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.980 1.357 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.573 -0.277 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.428 1.149 2.229 1.00 0.00 H new