USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -0.687 K(o=-1.5,f=-0.32) USER MOD Set 1.2: A 83 MET CE :methyl 167:sc= -0.817 (180deg=0) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 158:sc= -0.143 (180deg=-0.669) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 SER OG : rot -170:sc= -0.183 USER MOD Set 3.2: A 49 ASN : amide:sc= -0.0322 X(o=-0.21,f=-0.57) USER MOD Set 3.3: A 50 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 37 SER OG : rot 180:sc=0.000646 USER MOD Set 4.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 20 HIS : no HD1:sc= -0.197 X(o=-0.2,f=0) USER MOD Set 6.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 100 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 16 THR OG1 : rot 32:sc= 0.0458 USER MOD Single : A 17 GLN : amide:sc= -0.315 K(o=-0.32,f=-1.3) USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -3.49 (180deg=-8.23!) USER MOD Single : A 24 SER OG : rot -91:sc= 0.00513 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 150:sc= 0.207 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -55:sc= 0.00782 USER MOD Single : A 58 SER OG : rot 180:sc= 0.045 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.954 K(o=-0.95,f=-12!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.0888 (180deg=-0.598) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.645 X(o=-0.64,f=-0.73) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.147 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.240 -3.526 -13.806 1.00 0.00 N ATOM 160 CA LYS A 14 -17.103 -2.618 -13.704 1.00 0.00 C ATOM 161 C LYS A 14 -16.033 -2.969 -14.733 1.00 0.00 C ATOM 162 O LYS A 14 -16.150 -3.962 -15.452 1.00 0.00 O ATOM 163 CB LYS A 14 -16.507 -2.670 -12.295 1.00 0.00 C ATOM 164 CG LYS A 14 -17.453 -2.173 -11.216 1.00 0.00 C ATOM 165 CD LYS A 14 -16.829 -2.282 -9.835 1.00 0.00 C ATOM 166 CE LYS A 14 -17.728 -1.675 -8.768 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.869 -2.570 -8.430 1.00 0.00 N ATOM 0 HA LYS A 14 -17.458 -1.607 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.219 -3.697 -12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.597 -2.071 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.720 -1.135 -11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.377 -2.751 -11.246 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.641 -3.330 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.863 -1.776 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.143 -1.477 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.110 -0.716 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.458 -2.121 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.442 -2.739 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.505 -3.476 -8.072 1.00 0.00 H new ATOM 181 N VAL A 15 -14.990 -2.148 -14.799 1.00 0.00 N ATOM 182 CA VAL A 15 -13.898 -2.373 -15.738 1.00 0.00 C ATOM 183 C VAL A 15 -12.546 -2.128 -15.078 1.00 0.00 C ATOM 184 O VAL A 15 -12.413 -1.267 -14.208 1.00 0.00 O ATOM 185 CB VAL A 15 -14.025 -1.464 -16.975 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.305 -1.773 -17.736 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.979 0.001 -16.566 1.00 0.00 C ATOM 0 H VAL A 15 -14.878 -1.321 -14.213 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.962 -3.414 -16.053 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.181 -1.660 -17.637 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.377 -1.121 -18.606 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.293 -2.813 -18.062 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.164 -1.607 -17.086 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.070 0.629 -17.452 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.802 0.214 -15.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.032 0.210 -16.069 1.00 0.00 H new ATOM 197 N THR A 16 -11.541 -2.892 -15.498 1.00 0.00 N ATOM 198 CA THR A 16 -10.198 -2.759 -14.948 1.00 0.00 C ATOM 199 C THR A 16 -9.436 -1.626 -15.626 1.00 0.00 C ATOM 200 O THR A 16 -9.351 -1.571 -16.853 1.00 0.00 O ATOM 201 CB THR A 16 -9.397 -4.065 -15.100 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.557 -4.587 -16.424 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.852 -5.101 -14.083 1.00 0.00 C ATOM 0 H THR A 16 -11.633 -3.609 -16.217 1.00 0.00 H new ATOM 0 HA THR A 16 -10.311 -2.533 -13.888 1.00 0.00 H new ATOM 0 HB THR A 16 -8.345 -3.842 -14.922 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.668 -3.847 -17.056 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.272 -6.015 -14.210 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.701 -4.713 -13.076 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.909 -5.319 -14.234 1.00 0.00 H new ATOM 211 N GLN A 17 -8.882 -0.726 -14.820 1.00 0.00 N ATOM 212 CA GLN A 17 -8.125 0.405 -15.345 1.00 0.00 C ATOM 213 C GLN A 17 -6.704 0.413 -14.791 1.00 0.00 C ATOM 214 O GLN A 17 -6.494 0.237 -13.591 1.00 0.00 O ATOM 215 CB GLN A 17 -8.828 1.719 -14.999 1.00 0.00 C ATOM 216 CG GLN A 17 -8.622 2.158 -13.558 1.00 0.00 C ATOM 217 CD GLN A 17 -9.252 3.505 -13.263 1.00 0.00 C ATOM 218 OE1 GLN A 17 -10.278 3.588 -12.588 1.00 0.00 O ATOM 219 NE2 GLN A 17 -8.640 4.569 -13.768 1.00 0.00 N ATOM 0 H GLN A 17 -8.943 -0.758 -13.802 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.072 0.304 -16.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.464 2.502 -15.664 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.896 1.611 -15.188 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.046 1.409 -12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.554 2.206 -13.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.791 4.454 -14.322 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.018 5.502 -13.602 1.00 0.00 H new ATOM 228 N SER A 18 -5.732 0.619 -15.674 1.00 0.00 N ATOM 229 CA SER A 18 -4.330 0.646 -15.274 1.00 0.00 C ATOM 230 C SER A 18 -3.880 2.071 -14.967 1.00 0.00 C ATOM 231 O SER A 18 -3.823 2.921 -15.857 1.00 0.00 O ATOM 232 CB SER A 18 -3.452 0.048 -16.375 1.00 0.00 C ATOM 233 OG SER A 18 -2.273 -0.521 -15.834 1.00 0.00 O ATOM 0 H SER A 18 -5.890 0.770 -16.670 1.00 0.00 H new ATOM 0 HA SER A 18 -4.224 0.047 -14.369 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.012 -0.714 -16.917 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.188 0.823 -17.095 1.00 0.00 H new ATOM 0 HG SER A 18 -1.730 -0.898 -16.557 1.00 0.00 H new ATOM 239 N ILE A 19 -3.561 2.325 -13.702 1.00 0.00 N ATOM 240 CA ILE A 19 -3.115 3.646 -13.278 1.00 0.00 C ATOM 241 C ILE A 19 -1.621 3.650 -12.973 1.00 0.00 C ATOM 242 O ILE A 19 -1.152 2.919 -12.100 1.00 0.00 O ATOM 243 CB ILE A 19 -3.883 4.126 -12.032 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.375 4.260 -12.346 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.319 5.450 -11.539 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.268 4.018 -11.150 1.00 0.00 C ATOM 0 H ILE A 19 -3.603 1.633 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.317 4.328 -14.104 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.762 3.385 -11.241 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.567 5.259 -12.737 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.637 3.554 -13.134 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.872 5.776 -10.658 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.268 5.324 -11.281 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.413 6.200 -12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.311 4.130 -11.446 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.104 3.009 -10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.033 4.741 -10.369 1.00 0.00 H new ATOM 258 N HIS A 20 -0.877 4.480 -13.698 1.00 0.00 N ATOM 259 CA HIS A 20 0.565 4.582 -13.503 1.00 0.00 C ATOM 260 C HIS A 20 0.959 5.998 -13.092 1.00 0.00 C ATOM 261 O HIS A 20 0.977 6.912 -13.917 1.00 0.00 O ATOM 262 CB HIS A 20 1.302 4.186 -14.782 1.00 0.00 C ATOM 263 CG HIS A 20 0.963 2.811 -15.269 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.344 2.572 -16.477 1.00 0.00 N ATOM 265 CD2 HIS A 20 1.161 1.598 -14.702 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.174 1.271 -16.633 1.00 0.00 C ATOM 267 NE2 HIS A 20 0.662 0.657 -15.570 1.00 0.00 N ATOM 0 H HIS A 20 -1.249 5.091 -14.425 1.00 0.00 H new ATOM 0 HA HIS A 20 0.848 3.899 -12.703 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.067 4.907 -15.565 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.376 4.245 -14.605 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.625 1.406 -13.746 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.286 0.791 -17.484 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.667 -0.352 -15.418 1.00 0.00 H new ATOM 276 N ILE A 21 1.273 6.171 -11.812 1.00 0.00 N ATOM 277 CA ILE A 21 1.667 7.474 -11.293 1.00 0.00 C ATOM 278 C ILE A 21 3.185 7.610 -11.240 1.00 0.00 C ATOM 279 O ILE A 21 3.876 6.744 -10.705 1.00 0.00 O ATOM 280 CB ILE A 21 1.092 7.716 -9.884 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.398 7.371 -9.852 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.317 9.160 -9.461 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.878 6.891 -8.500 1.00 0.00 C ATOM 0 H ILE A 21 1.262 5.425 -11.116 1.00 0.00 H new ATOM 0 HA ILE A 21 1.262 8.221 -11.976 1.00 0.00 H new ATOM 0 HB ILE A 21 1.611 7.067 -9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.973 8.251 -10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.600 6.600 -10.595 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.905 9.315 -8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.386 9.374 -9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.821 9.827 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.943 6.665 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.329 5.993 -8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.708 7.669 -7.756 1.00 0.00 H new ATOM 295 N GLU A 22 3.696 8.703 -11.798 1.00 0.00 N ATOM 296 CA GLU A 22 5.133 8.951 -11.814 1.00 0.00 C ATOM 297 C GLU A 22 5.460 10.289 -11.158 1.00 0.00 C ATOM 298 O GLU A 22 4.758 11.280 -11.357 1.00 0.00 O ATOM 299 CB GLU A 22 5.661 8.932 -13.250 1.00 0.00 C ATOM 300 CG GLU A 22 5.605 7.560 -13.900 1.00 0.00 C ATOM 301 CD GLU A 22 4.259 7.269 -14.535 1.00 0.00 C ATOM 302 OE1 GLU A 22 4.018 7.752 -15.661 1.00 0.00 O ATOM 303 OE2 GLU A 22 3.447 6.559 -13.905 1.00 0.00 O ATOM 0 H GLU A 22 3.137 9.430 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 22 5.619 8.158 -11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.082 9.633 -13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.692 9.285 -13.254 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.383 7.490 -14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.821 6.798 -13.151 1.00 0.00 H new ATOM 310 N LYS A 23 6.533 10.310 -10.374 1.00 0.00 N ATOM 311 CA LYS A 23 6.956 11.525 -9.688 1.00 0.00 C ATOM 312 C LYS A 23 8.285 12.028 -10.242 1.00 0.00 C ATOM 313 O LYS A 23 9.061 11.261 -10.811 1.00 0.00 O ATOM 314 CB LYS A 23 7.083 11.269 -8.184 1.00 0.00 C ATOM 315 CG LYS A 23 5.755 11.303 -7.447 1.00 0.00 C ATOM 316 CD LYS A 23 5.927 11.767 -6.011 1.00 0.00 C ATOM 317 CE LYS A 23 4.687 12.490 -5.507 1.00 0.00 C ATOM 318 NZ LYS A 23 4.390 13.708 -6.310 1.00 0.00 N ATOM 0 H LYS A 23 7.126 9.499 -10.198 1.00 0.00 H new ATOM 0 HA LYS A 23 6.198 12.290 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.551 10.297 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.748 12.016 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.067 11.970 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.306 10.310 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.134 10.908 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.789 12.430 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.833 11.814 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.829 12.769 -4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.577 14.556 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.995 13.722 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.391 13.698 -6.599 1.00 0.00 H new ATOM 332 N SER A 24 8.541 13.321 -10.071 1.00 0.00 N ATOM 333 CA SER A 24 9.776 13.927 -10.557 1.00 0.00 C ATOM 334 C SER A 24 10.950 13.565 -9.653 1.00 0.00 C ATOM 335 O SER A 24 12.027 13.204 -10.130 1.00 0.00 O ATOM 336 CB SER A 24 9.627 15.447 -10.634 1.00 0.00 C ATOM 337 OG SER A 24 10.700 16.029 -11.354 1.00 0.00 O ATOM 0 H SER A 24 7.910 13.969 -9.600 1.00 0.00 H new ATOM 0 HA SER A 24 9.975 13.538 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.682 15.699 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.592 15.864 -9.627 1.00 0.00 H new ATOM 0 HG SER A 24 11.418 16.272 -10.732 1.00 0.00 H new ATOM 343 N ASP A 25 10.735 13.663 -8.346 1.00 0.00 N ATOM 344 CA ASP A 25 11.775 13.345 -7.374 1.00 0.00 C ATOM 345 C ASP A 25 11.198 12.565 -6.197 1.00 0.00 C ATOM 346 O ASP A 25 9.992 12.596 -5.948 1.00 0.00 O ATOM 347 CB ASP A 25 12.444 14.626 -6.874 1.00 0.00 C ATOM 348 CG ASP A 25 12.853 15.546 -8.008 1.00 0.00 C ATOM 349 OD1 ASP A 25 12.010 16.355 -8.448 1.00 0.00 O ATOM 350 OD2 ASP A 25 14.016 15.457 -8.454 1.00 0.00 O ATOM 0 H ASP A 25 9.850 13.960 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 25 12.522 12.723 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.760 15.154 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.324 14.367 -6.285 1.00 0.00 H new ATOM 355 N THR A 26 12.067 11.864 -5.475 1.00 0.00 N ATOM 356 CA THR A 26 11.644 11.074 -4.325 1.00 0.00 C ATOM 357 C THR A 26 12.289 11.583 -3.041 1.00 0.00 C ATOM 358 O THR A 26 12.745 10.797 -2.211 1.00 0.00 O ATOM 359 CB THR A 26 11.994 9.585 -4.508 1.00 0.00 C ATOM 360 OG1 THR A 26 13.414 9.424 -4.603 1.00 0.00 O ATOM 361 CG2 THR A 26 11.330 9.022 -5.755 1.00 0.00 C ATOM 0 H THR A 26 13.068 11.827 -5.666 1.00 0.00 H new ATOM 0 HA THR A 26 10.562 11.179 -4.250 1.00 0.00 H new ATOM 0 HB THR A 26 11.624 9.038 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.629 8.475 -4.717 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.592 7.969 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.248 9.119 -5.667 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.674 9.573 -6.630 1.00 0.00 H new ATOM 369 N ALA A 27 12.324 12.902 -2.884 1.00 0.00 N ATOM 370 CA ALA A 27 12.911 13.515 -1.699 1.00 0.00 C ATOM 371 C ALA A 27 11.916 14.444 -1.012 1.00 0.00 C ATOM 372 O ALA A 27 11.801 14.447 0.214 1.00 0.00 O ATOM 373 CB ALA A 27 14.176 14.275 -2.070 1.00 0.00 C ATOM 0 H ALA A 27 11.953 13.567 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 27 13.170 12.720 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.604 14.728 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.898 13.587 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.933 15.055 -2.791 1.00 0.00 H new ATOM 379 N ALA A 28 11.200 15.231 -1.808 1.00 0.00 N ATOM 380 CA ALA A 28 10.215 16.163 -1.276 1.00 0.00 C ATOM 381 C ALA A 28 8.806 15.785 -1.719 1.00 0.00 C ATOM 382 O ALA A 28 7.856 15.866 -0.940 1.00 0.00 O ATOM 383 CB ALA A 28 10.543 17.584 -1.711 1.00 0.00 C ATOM 0 H ALA A 28 11.284 15.241 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 28 10.252 16.110 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.798 18.269 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.530 17.860 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.536 17.642 -2.799 1.00 0.00 H new ATOM 389 N ASP A 29 8.677 15.373 -2.976 1.00 0.00 N ATOM 390 CA ASP A 29 7.383 14.981 -3.523 1.00 0.00 C ATOM 391 C ASP A 29 6.970 13.605 -3.011 1.00 0.00 C ATOM 392 O ASP A 29 7.753 12.655 -3.050 1.00 0.00 O ATOM 393 CB ASP A 29 7.432 14.977 -5.052 1.00 0.00 C ATOM 394 CG ASP A 29 7.801 16.332 -5.623 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.073 17.309 -5.350 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.818 16.415 -6.342 1.00 0.00 O ATOM 0 H ASP A 29 9.452 15.302 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 29 6.641 15.708 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.157 14.235 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.461 14.673 -5.443 1.00 0.00 H new ATOM 401 N THR A 30 5.735 13.504 -2.529 1.00 0.00 N ATOM 402 CA THR A 30 5.219 12.245 -2.007 1.00 0.00 C ATOM 403 C THR A 30 3.810 11.973 -2.521 1.00 0.00 C ATOM 404 O THR A 30 2.931 12.831 -2.435 1.00 0.00 O ATOM 405 CB THR A 30 5.201 12.240 -0.467 1.00 0.00 C ATOM 406 OG1 THR A 30 4.482 11.098 0.011 1.00 0.00 O ATOM 407 CG2 THR A 30 4.559 13.511 0.070 1.00 0.00 C ATOM 0 H THR A 30 5.074 14.280 -2.489 1.00 0.00 H new ATOM 0 HA THR A 30 5.889 11.460 -2.358 1.00 0.00 H new ATOM 0 HB THR A 30 6.231 12.194 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.477 11.102 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.557 13.485 1.160 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.126 14.377 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.534 13.582 -0.293 1.00 0.00 H new ATOM 415 N TYR A 31 3.601 10.775 -3.055 1.00 0.00 N ATOM 416 CA TYR A 31 2.298 10.391 -3.585 1.00 0.00 C ATOM 417 C TYR A 31 1.171 11.010 -2.763 1.00 0.00 C ATOM 418 O TYR A 31 0.218 11.562 -3.312 1.00 0.00 O ATOM 419 CB TYR A 31 2.157 8.868 -3.597 1.00 0.00 C ATOM 420 CG TYR A 31 2.959 8.194 -4.687 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.876 8.626 -6.005 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.800 7.126 -4.399 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.607 8.013 -7.005 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.535 6.508 -5.392 1.00 0.00 C ATOM 425 CZ TYR A 31 4.435 6.954 -6.694 1.00 0.00 C ATOM 426 OH TYR A 31 5.164 6.342 -7.686 1.00 0.00 O ATOM 0 H TYR A 31 4.317 10.053 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 31 2.226 10.764 -4.607 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.472 8.475 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.105 8.610 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.229 9.455 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.880 6.773 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.531 8.361 -8.025 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.185 5.680 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 31 5.995 5.985 -7.309 1.00 0.00 H new ATOM 436 N GLY A 32 1.290 10.915 -1.442 1.00 0.00 N ATOM 437 CA GLY A 32 0.276 11.470 -0.565 1.00 0.00 C ATOM 438 C GLY A 32 -0.794 10.460 -0.202 1.00 0.00 C ATOM 439 O GLY A 32 -1.505 10.626 0.789 1.00 0.00 O ATOM 0 H GLY A 32 2.070 10.464 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.749 11.836 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.189 12.328 -1.050 1.00 0.00 H new ATOM 443 N PHE A 33 -0.910 9.409 -1.007 1.00 0.00 N ATOM 444 CA PHE A 33 -1.903 8.368 -0.767 1.00 0.00 C ATOM 445 C PHE A 33 -1.253 7.125 -0.165 1.00 0.00 C ATOM 446 O PHE A 33 -0.249 6.628 -0.674 1.00 0.00 O ATOM 447 CB PHE A 33 -2.616 8.003 -2.071 1.00 0.00 C ATOM 448 CG PHE A 33 -1.927 6.917 -2.847 1.00 0.00 C ATOM 449 CD1 PHE A 33 -2.102 5.586 -2.506 1.00 0.00 C ATOM 450 CD2 PHE A 33 -1.104 7.228 -3.918 1.00 0.00 C ATOM 451 CE1 PHE A 33 -1.471 4.584 -3.219 1.00 0.00 C ATOM 452 CE2 PHE A 33 -0.470 6.231 -4.635 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.653 4.907 -4.284 1.00 0.00 C ATOM 0 H PHE A 33 -0.329 9.256 -1.831 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.634 8.755 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.634 7.686 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.692 8.893 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.739 5.328 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.956 8.261 -4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.617 3.550 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.168 6.486 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.157 4.126 -4.842 1.00 0.00 H new ATOM 463 N SER A 34 -1.834 6.629 0.923 1.00 0.00 N ATOM 464 CA SER A 34 -1.311 5.448 1.598 1.00 0.00 C ATOM 465 C SER A 34 -2.229 4.248 1.384 1.00 0.00 C ATOM 466 O SER A 34 -3.342 4.386 0.876 1.00 0.00 O ATOM 467 CB SER A 34 -1.149 5.719 3.095 1.00 0.00 C ATOM 468 OG SER A 34 -2.406 5.942 3.711 1.00 0.00 O ATOM 0 H SER A 34 -2.667 7.027 1.356 1.00 0.00 H new ATOM 0 HA SER A 34 -0.335 5.218 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.653 4.872 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.508 6.588 3.243 1.00 0.00 H new ATOM 0 HG SER A 34 -2.269 6.266 4.626 1.00 0.00 H new ATOM 474 N LEU A 35 -1.753 3.071 1.774 1.00 0.00 N ATOM 475 CA LEU A 35 -2.530 1.845 1.625 1.00 0.00 C ATOM 476 C LEU A 35 -2.673 1.125 2.962 1.00 0.00 C ATOM 477 O LEU A 35 -1.702 0.972 3.703 1.00 0.00 O ATOM 478 CB LEU A 35 -1.868 0.919 0.603 1.00 0.00 C ATOM 479 CG LEU A 35 -2.010 1.328 -0.864 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.023 0.561 -1.730 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.435 1.100 -1.346 1.00 0.00 C ATOM 0 H LEU A 35 -0.834 2.939 2.195 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.525 2.116 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.806 0.850 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.287 -0.080 0.723 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.785 2.391 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.139 0.865 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.006 0.775 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.215 -0.508 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.517 1.397 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.688 0.044 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.122 1.696 -0.745 1.00 0.00 H new ATOM 493 N SER A 36 -3.890 0.683 3.263 1.00 0.00 N ATOM 494 CA SER A 36 -4.160 -0.020 4.512 1.00 0.00 C ATOM 495 C SER A 36 -4.580 -1.462 4.244 1.00 0.00 C ATOM 496 O SER A 36 -5.598 -1.714 3.599 1.00 0.00 O ATOM 497 CB SER A 36 -5.252 0.703 5.303 1.00 0.00 C ATOM 498 OG SER A 36 -5.452 0.097 6.568 1.00 0.00 O ATOM 0 H SER A 36 -4.704 0.799 2.660 1.00 0.00 H new ATOM 0 HA SER A 36 -3.242 -0.031 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.976 1.749 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.184 0.689 4.738 1.00 0.00 H new ATOM 0 HG SER A 36 -6.153 0.579 7.054 1.00 0.00 H new ATOM 504 N SER A 37 -3.788 -2.405 4.744 1.00 0.00 N ATOM 505 CA SER A 37 -4.075 -3.823 4.556 1.00 0.00 C ATOM 506 C SER A 37 -5.139 -4.297 5.540 1.00 0.00 C ATOM 507 O SER A 37 -5.164 -3.875 6.697 1.00 0.00 O ATOM 508 CB SER A 37 -2.799 -4.650 4.728 1.00 0.00 C ATOM 509 OG SER A 37 -2.173 -4.369 5.968 1.00 0.00 O ATOM 0 H SER A 37 -2.943 -2.213 5.282 1.00 0.00 H new ATOM 0 HA SER A 37 -4.455 -3.961 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.039 -5.712 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.109 -4.435 3.912 1.00 0.00 H new ATOM 0 HG SER A 37 -1.361 -4.911 6.055 1.00 0.00 H new ATOM 515 N VAL A 38 -6.018 -5.178 5.073 1.00 0.00 N ATOM 516 CA VAL A 38 -7.085 -5.712 5.911 1.00 0.00 C ATOM 517 C VAL A 38 -7.344 -7.182 5.601 1.00 0.00 C ATOM 518 O VAL A 38 -7.413 -7.578 4.438 1.00 0.00 O ATOM 519 CB VAL A 38 -8.394 -4.921 5.725 1.00 0.00 C ATOM 520 CG1 VAL A 38 -9.502 -5.513 6.583 1.00 0.00 C ATOM 521 CG2 VAL A 38 -8.179 -3.452 6.055 1.00 0.00 C ATOM 0 H VAL A 38 -6.012 -5.537 4.118 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.754 -5.615 6.945 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.698 -4.994 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.419 -4.941 6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.672 -6.550 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.211 -5.472 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.114 -2.908 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.851 -3.356 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.418 -3.038 5.393 1.00 0.00 H new ATOM 531 N GLU A 39 -7.487 -7.986 6.650 1.00 0.00 N ATOM 532 CA GLU A 39 -7.739 -9.413 6.489 1.00 0.00 C ATOM 533 C GLU A 39 -9.172 -9.761 6.879 1.00 0.00 C ATOM 534 O GLU A 39 -9.600 -9.503 8.004 1.00 0.00 O ATOM 535 CB GLU A 39 -6.757 -10.225 7.336 1.00 0.00 C ATOM 536 CG GLU A 39 -6.429 -11.588 6.749 1.00 0.00 C ATOM 537 CD GLU A 39 -6.085 -12.614 7.812 1.00 0.00 C ATOM 538 OE1 GLU A 39 -4.893 -12.722 8.167 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.007 -13.308 8.288 1.00 0.00 O ATOM 0 H GLU A 39 -7.433 -7.674 7.619 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.596 -9.664 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.834 -9.657 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.176 -10.360 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.280 -11.944 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.591 -11.490 6.059 1.00 0.00 H new ATOM 546 N GLU A 40 -9.910 -10.347 5.941 1.00 0.00 N ATOM 547 CA GLU A 40 -11.296 -10.728 6.187 1.00 0.00 C ATOM 548 C GLU A 40 -11.503 -12.218 5.932 1.00 0.00 C ATOM 549 O GLU A 40 -11.597 -12.656 4.785 1.00 0.00 O ATOM 550 CB GLU A 40 -12.237 -9.912 5.299 1.00 0.00 C ATOM 551 CG GLU A 40 -12.134 -8.412 5.520 1.00 0.00 C ATOM 552 CD GLU A 40 -13.257 -7.645 4.849 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.435 -7.954 5.124 1.00 0.00 O ATOM 554 OE2 GLU A 40 -12.956 -6.734 4.048 1.00 0.00 O ATOM 0 H GLU A 40 -9.571 -10.568 5.005 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.524 -10.521 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.019 -10.133 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.263 -10.228 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.146 -8.205 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.177 -8.057 5.137 1.00 0.00 H new ATOM 561 N ASP A 41 -11.573 -12.992 7.009 1.00 0.00 N ATOM 562 CA ASP A 41 -11.770 -14.434 6.904 1.00 0.00 C ATOM 563 C ASP A 41 -10.649 -15.077 6.093 1.00 0.00 C ATOM 564 O ASP A 41 -10.893 -15.953 5.264 1.00 0.00 O ATOM 565 CB ASP A 41 -13.123 -14.739 6.259 1.00 0.00 C ATOM 566 CG ASP A 41 -14.281 -14.524 7.213 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.572 -13.354 7.540 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.896 -15.526 7.634 1.00 0.00 O ATOM 0 H ASP A 41 -11.496 -12.646 7.965 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.753 -14.853 7.910 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.256 -14.105 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.131 -15.771 5.909 1.00 0.00 H new ATOM 573 N GLY A 42 -9.419 -14.635 6.338 1.00 0.00 N ATOM 574 CA GLY A 42 -8.279 -15.178 5.622 1.00 0.00 C ATOM 575 C GLY A 42 -7.981 -14.418 4.346 1.00 0.00 C ATOM 576 O GLY A 42 -6.845 -14.413 3.869 1.00 0.00 O ATOM 0 H GLY A 42 -9.192 -13.911 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.402 -15.154 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.469 -16.224 5.382 1.00 0.00 H new ATOM 580 N ILE A 43 -9.001 -13.774 3.790 1.00 0.00 N ATOM 581 CA ILE A 43 -8.842 -13.007 2.560 1.00 0.00 C ATOM 582 C ILE A 43 -8.251 -11.630 2.844 1.00 0.00 C ATOM 583 O ILE A 43 -8.930 -10.749 3.372 1.00 0.00 O ATOM 584 CB ILE A 43 -10.185 -12.836 1.826 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.750 -14.201 1.427 1.00 0.00 C ATOM 586 CG2 ILE A 43 -10.009 -11.951 0.600 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.251 -14.201 1.238 1.00 0.00 C ATOM 0 H ILE A 43 -9.947 -13.768 4.172 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.159 -13.569 1.923 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.893 -12.354 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.275 -14.525 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.488 -14.932 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.967 -11.839 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.645 -10.971 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.289 -12.408 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.582 -15.200 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.735 -13.907 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.519 -13.495 0.452 1.00 0.00 H new ATOM 599 N ARG A 44 -6.984 -11.451 2.488 1.00 0.00 N ATOM 600 CA ARG A 44 -6.301 -10.181 2.703 1.00 0.00 C ATOM 601 C ARG A 44 -6.502 -9.247 1.513 1.00 0.00 C ATOM 602 O ARG A 44 -6.420 -9.670 0.359 1.00 0.00 O ATOM 603 CB ARG A 44 -4.807 -10.413 2.937 1.00 0.00 C ATOM 604 CG ARG A 44 -4.085 -9.204 3.509 1.00 0.00 C ATOM 605 CD ARG A 44 -2.618 -9.192 3.110 1.00 0.00 C ATOM 606 NE ARG A 44 -1.844 -8.239 3.901 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.539 -8.423 5.181 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.941 -9.518 5.811 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.831 -7.510 5.833 1.00 0.00 N ATOM 0 H ARG A 44 -6.409 -12.170 2.049 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.731 -9.712 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.681 -11.256 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.339 -10.692 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.566 -8.291 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.168 -9.210 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.200 -10.191 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.532 -8.940 2.053 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.520 -7.386 3.446 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.486 -10.222 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.705 -9.657 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.520 -6.666 5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.597 -7.652 6.816 1.00 0.00 H new ATOM 623 N ARG A 45 -6.765 -7.977 1.801 1.00 0.00 N ATOM 624 CA ARG A 45 -6.979 -6.984 0.755 1.00 0.00 C ATOM 625 C ARG A 45 -6.426 -5.625 1.174 1.00 0.00 C ATOM 626 O ARG A 45 -6.147 -5.393 2.351 1.00 0.00 O ATOM 627 CB ARG A 45 -8.469 -6.864 0.434 1.00 0.00 C ATOM 628 CG ARG A 45 -9.002 -8.003 -0.420 1.00 0.00 C ATOM 629 CD ARG A 45 -10.522 -8.050 -0.401 1.00 0.00 C ATOM 630 NE ARG A 45 -11.042 -9.231 -1.085 1.00 0.00 N ATOM 631 CZ ARG A 45 -12.268 -9.307 -1.590 1.00 0.00 C ATOM 632 NH1 ARG A 45 -13.096 -8.276 -1.488 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.669 -10.416 -2.199 1.00 0.00 N ATOM 0 H ARG A 45 -6.835 -7.611 2.750 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.448 -7.313 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.031 -6.827 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.646 -5.920 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.653 -7.884 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.603 -8.950 -0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.872 -8.046 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.918 -7.152 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.430 -10.042 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.792 -7.422 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.037 -8.337 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.035 -11.211 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.611 -10.473 -2.586 1.00 0.00 H new ATOM 647 N LEU A 46 -6.272 -4.731 0.205 1.00 0.00 N ATOM 648 CA LEU A 46 -5.752 -3.394 0.472 1.00 0.00 C ATOM 649 C LEU A 46 -6.810 -2.332 0.189 1.00 0.00 C ATOM 650 O LEU A 46 -7.698 -2.532 -0.640 1.00 0.00 O ATOM 651 CB LEU A 46 -4.508 -3.130 -0.377 1.00 0.00 C ATOM 652 CG LEU A 46 -3.201 -3.730 0.143 1.00 0.00 C ATOM 653 CD1 LEU A 46 -2.657 -2.904 1.298 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.411 -5.175 0.570 1.00 0.00 C ATOM 0 H LEU A 46 -6.500 -4.907 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.482 -3.340 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.688 -3.517 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.378 -2.052 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.469 -3.714 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.727 -3.346 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.468 -1.885 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.386 -2.888 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.471 -5.586 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.159 -5.215 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.754 -5.760 -0.283 1.00 0.00 H new ATOM 666 N TYR A 47 -6.707 -1.203 0.881 1.00 0.00 N ATOM 667 CA TYR A 47 -7.655 -0.109 0.704 1.00 0.00 C ATOM 668 C TYR A 47 -6.978 1.240 0.927 1.00 0.00 C ATOM 669 O TYR A 47 -6.234 1.423 1.890 1.00 0.00 O ATOM 670 CB TYR A 47 -8.833 -0.266 1.667 1.00 0.00 C ATOM 671 CG TYR A 47 -9.590 -1.563 1.491 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.481 -1.733 0.439 1.00 0.00 C ATOM 673 CD2 TYR A 47 -9.414 -2.619 2.377 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.175 -2.916 0.275 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.103 -3.806 2.220 1.00 0.00 C ATOM 676 CZ TYR A 47 -10.983 -3.949 1.168 1.00 0.00 C ATOM 677 OH TYR A 47 -11.672 -5.130 1.007 1.00 0.00 O ATOM 0 H TYR A 47 -5.977 -1.021 1.570 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.025 -0.145 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.465 -0.206 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.520 0.568 1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.634 -0.926 -0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.727 -2.510 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.864 -3.031 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.953 -4.617 2.917 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.422 -5.755 1.720 1.00 0.00 H new ATOM 687 N VAL A 48 -7.242 2.183 0.027 1.00 0.00 N ATOM 688 CA VAL A 48 -6.660 3.516 0.125 1.00 0.00 C ATOM 689 C VAL A 48 -7.205 4.266 1.335 1.00 0.00 C ATOM 690 O VAL A 48 -8.395 4.568 1.407 1.00 0.00 O ATOM 691 CB VAL A 48 -6.937 4.343 -1.145 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.332 5.733 -1.019 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.398 3.628 -2.374 1.00 0.00 C ATOM 0 H VAL A 48 -7.855 2.048 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.584 3.385 0.237 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.016 4.451 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.538 6.303 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.770 6.244 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.254 5.649 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.602 4.226 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.322 3.488 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.883 2.657 -2.472 1.00 0.00 H new ATOM 703 N ASN A 49 -6.325 4.564 2.286 1.00 0.00 N ATOM 704 CA ASN A 49 -6.717 5.279 3.494 1.00 0.00 C ATOM 705 C ASN A 49 -6.903 6.766 3.210 1.00 0.00 C ATOM 706 O ASN A 49 -7.997 7.307 3.368 1.00 0.00 O ATOM 707 CB ASN A 49 -5.668 5.085 4.591 1.00 0.00 C ATOM 708 CG ASN A 49 -5.842 6.061 5.737 1.00 0.00 C ATOM 709 OD1 ASN A 49 -6.964 6.373 6.138 1.00 0.00 O ATOM 710 ND2 ASN A 49 -4.729 6.551 6.272 1.00 0.00 N ATOM 0 H ASN A 49 -5.335 4.321 2.243 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.668 4.870 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.730 4.066 4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.673 5.205 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.784 7.213 7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.820 6.265 5.909 1.00 0.00 H new ATOM 717 N SER A 50 -5.826 7.422 2.790 1.00 0.00 N ATOM 718 CA SER A 50 -5.868 8.847 2.487 1.00 0.00 C ATOM 719 C SER A 50 -5.496 9.104 1.029 1.00 0.00 C ATOM 720 O SER A 50 -5.036 8.205 0.326 1.00 0.00 O ATOM 721 CB SER A 50 -4.921 9.616 3.410 1.00 0.00 C ATOM 722 OG SER A 50 -5.281 9.442 4.769 1.00 0.00 O ATOM 0 H SER A 50 -4.913 6.989 2.652 1.00 0.00 H new ATOM 0 HA SER A 50 -6.887 9.197 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.898 9.273 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.943 10.676 3.157 1.00 0.00 H new ATOM 0 HG SER A 50 -4.660 9.942 5.339 1.00 0.00 H new ATOM 728 N VAL A 51 -5.699 10.340 0.582 1.00 0.00 N ATOM 729 CA VAL A 51 -5.385 10.717 -0.790 1.00 0.00 C ATOM 730 C VAL A 51 -4.861 12.147 -0.861 1.00 0.00 C ATOM 731 O VAL A 51 -5.334 13.030 -0.145 1.00 0.00 O ATOM 732 CB VAL A 51 -6.618 10.589 -1.704 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.300 11.092 -3.104 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.102 9.147 -1.745 1.00 0.00 C ATOM 0 H VAL A 51 -6.079 11.096 1.151 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.612 10.031 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.418 11.206 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.183 10.994 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.003 12.140 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.485 10.504 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.974 9.074 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.308 8.507 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.372 8.825 -0.739 1.00 0.00 H new ATOM 744 N LYS A 52 -3.880 12.370 -1.730 1.00 0.00 N ATOM 745 CA LYS A 52 -3.291 13.693 -1.897 1.00 0.00 C ATOM 746 C LYS A 52 -4.260 14.634 -2.606 1.00 0.00 C ATOM 747 O LYS A 52 -5.037 14.210 -3.460 1.00 0.00 O ATOM 748 CB LYS A 52 -1.985 13.596 -2.689 1.00 0.00 C ATOM 749 CG LYS A 52 -0.973 14.669 -2.326 1.00 0.00 C ATOM 750 CD LYS A 52 -0.044 14.974 -3.489 1.00 0.00 C ATOM 751 CE LYS A 52 1.327 15.421 -3.004 1.00 0.00 C ATOM 752 NZ LYS A 52 1.351 16.872 -2.669 1.00 0.00 N ATOM 0 H LYS A 52 -3.476 11.650 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.079 14.097 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.539 12.616 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.209 13.665 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.496 15.578 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.387 14.342 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.061 14.087 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.483 15.753 -4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.608 14.841 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.070 15.214 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.302 17.137 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.107 17.427 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.660 17.066 -1.916 1.00 0.00 H new ATOM 766 N GLU A 53 -4.205 15.913 -2.247 1.00 0.00 N ATOM 767 CA GLU A 53 -5.078 16.913 -2.851 1.00 0.00 C ATOM 768 C GLU A 53 -4.583 17.298 -4.242 1.00 0.00 C ATOM 769 O GLU A 53 -3.393 17.538 -4.447 1.00 0.00 O ATOM 770 CB GLU A 53 -5.155 18.157 -1.963 1.00 0.00 C ATOM 771 CG GLU A 53 -6.239 19.136 -2.381 1.00 0.00 C ATOM 772 CD GLU A 53 -6.148 20.457 -1.642 1.00 0.00 C ATOM 773 OE1 GLU A 53 -5.123 21.153 -1.796 1.00 0.00 O ATOM 774 OE2 GLU A 53 -7.102 20.795 -0.910 1.00 0.00 O ATOM 0 H GLU A 53 -3.566 16.281 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.074 16.480 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.334 17.848 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.191 18.666 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.165 19.318 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.217 18.689 -2.200 1.00 0.00 H new ATOM 781 N THR A 54 -5.506 17.353 -5.197 1.00 0.00 N ATOM 782 CA THR A 54 -5.166 17.706 -6.570 1.00 0.00 C ATOM 783 C THR A 54 -3.750 17.260 -6.917 1.00 0.00 C ATOM 784 O THR A 54 -3.026 17.956 -7.628 1.00 0.00 O ATOM 785 CB THR A 54 -5.286 19.224 -6.806 1.00 0.00 C ATOM 786 OG1 THR A 54 -5.495 19.488 -8.197 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.035 19.946 -6.329 1.00 0.00 C ATOM 0 H THR A 54 -6.495 17.157 -5.045 1.00 0.00 H new ATOM 0 HA THR A 54 -5.876 17.188 -7.215 1.00 0.00 H new ATOM 0 HB THR A 54 -6.138 19.592 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.776 19.075 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.143 21.016 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.896 19.767 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.169 19.573 -6.876 1.00 0.00 H new ATOM 795 N GLY A 55 -3.360 16.094 -6.410 1.00 0.00 N ATOM 796 CA GLY A 55 -2.032 15.575 -6.679 1.00 0.00 C ATOM 797 C GLY A 55 -1.973 14.768 -7.961 1.00 0.00 C ATOM 798 O GLY A 55 -2.460 15.208 -9.003 1.00 0.00 O ATOM 0 H GLY A 55 -3.940 15.500 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.327 16.404 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.714 14.950 -5.845 1.00 0.00 H new ATOM 802 N LEU A 56 -1.374 13.585 -7.886 1.00 0.00 N ATOM 803 CA LEU A 56 -1.251 12.715 -9.050 1.00 0.00 C ATOM 804 C LEU A 56 -2.234 11.552 -8.967 1.00 0.00 C ATOM 805 O LEU A 56 -2.832 11.159 -9.968 1.00 0.00 O ATOM 806 CB LEU A 56 0.178 12.182 -9.165 1.00 0.00 C ATOM 807 CG LEU A 56 1.294 13.186 -8.874 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.587 12.463 -8.532 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.499 14.115 -10.062 1.00 0.00 C ATOM 0 H LEU A 56 -0.966 13.206 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.486 13.303 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.287 11.340 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.320 11.794 -10.174 1.00 0.00 H new ATOM 0 HG LEU A 56 1.000 13.788 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.370 13.194 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.433 11.840 -7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.886 11.836 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.297 14.823 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.771 13.529 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.576 14.660 -10.261 1.00 0.00 H new ATOM 821 N ALA A 57 -2.398 11.007 -7.766 1.00 0.00 N ATOM 822 CA ALA A 57 -3.312 9.892 -7.551 1.00 0.00 C ATOM 823 C ALA A 57 -4.755 10.305 -7.820 1.00 0.00 C ATOM 824 O ALA A 57 -5.452 9.677 -8.617 1.00 0.00 O ATOM 825 CB ALA A 57 -3.169 9.359 -6.133 1.00 0.00 C ATOM 0 H ALA A 57 -1.910 11.320 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.052 9.100 -8.253 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.857 8.527 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.146 9.017 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.401 10.151 -5.421 1.00 0.00 H new ATOM 831 N SER A 58 -5.197 11.365 -7.150 1.00 0.00 N ATOM 832 CA SER A 58 -6.559 11.859 -7.314 1.00 0.00 C ATOM 833 C SER A 58 -6.869 12.121 -8.785 1.00 0.00 C ATOM 834 O SER A 58 -7.742 11.481 -9.372 1.00 0.00 O ATOM 835 CB SER A 58 -6.760 13.140 -6.503 1.00 0.00 C ATOM 836 OG SER A 58 -5.725 14.073 -6.758 1.00 0.00 O ATOM 0 H SER A 58 -4.632 11.898 -6.489 1.00 0.00 H new ATOM 0 HA SER A 58 -7.243 11.094 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.724 13.584 -6.752 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.784 12.901 -5.440 1.00 0.00 H new ATOM 0 HG SER A 58 -5.878 14.884 -6.229 1.00 0.00 H new ATOM 842 N LYS A 59 -6.146 13.066 -9.376 1.00 0.00 N ATOM 843 CA LYS A 59 -6.340 13.414 -10.779 1.00 0.00 C ATOM 844 C LYS A 59 -6.351 12.163 -11.653 1.00 0.00 C ATOM 845 O LYS A 59 -7.126 12.066 -12.605 1.00 0.00 O ATOM 846 CB LYS A 59 -5.237 14.366 -11.247 1.00 0.00 C ATOM 847 CG LYS A 59 -3.988 13.656 -11.739 1.00 0.00 C ATOM 848 CD LYS A 59 -2.936 14.643 -12.215 1.00 0.00 C ATOM 849 CE LYS A 59 -1.892 13.967 -13.090 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.495 13.376 -14.317 1.00 0.00 N ATOM 0 H LYS A 59 -5.420 13.605 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.305 13.911 -10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.627 14.994 -12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.968 15.029 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.577 13.043 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.249 12.981 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.416 15.446 -12.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.449 15.101 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.130 14.693 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.391 13.185 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.761 13.264 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.903 12.447 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.243 14.005 -14.674 1.00 0.00 H new ATOM 864 N LYS A 60 -5.489 11.208 -11.323 1.00 0.00 N ATOM 865 CA LYS A 60 -5.400 9.963 -12.075 1.00 0.00 C ATOM 866 C LYS A 60 -6.705 9.177 -11.982 1.00 0.00 C ATOM 867 O LYS A 60 -7.348 8.901 -12.994 1.00 0.00 O ATOM 868 CB LYS A 60 -4.241 9.110 -11.555 1.00 0.00 C ATOM 869 CG LYS A 60 -2.892 9.498 -12.136 1.00 0.00 C ATOM 870 CD LYS A 60 -2.629 8.791 -13.455 1.00 0.00 C ATOM 871 CE LYS A 60 -1.140 8.714 -13.758 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.643 9.954 -14.415 1.00 0.00 N ATOM 0 H LYS A 60 -4.841 11.273 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.219 10.212 -13.121 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.197 9.194 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.439 8.063 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.857 10.577 -12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.104 9.250 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.047 7.785 -13.420 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.139 9.320 -14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.589 8.548 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.945 7.858 -14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.375 9.862 -14.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.151 10.099 -15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.806 10.768 -13.789 1.00 0.00 H new ATOM 886 N GLY A 61 -7.091 8.822 -10.760 1.00 0.00 N ATOM 887 CA GLY A 61 -8.317 8.073 -10.558 1.00 0.00 C ATOM 888 C GLY A 61 -8.334 7.335 -9.234 1.00 0.00 C ATOM 889 O GLY A 61 -8.809 6.201 -9.153 1.00 0.00 O ATOM 0 H GLY A 61 -6.576 9.040 -9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.167 8.754 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.440 7.357 -11.371 1.00 0.00 H new ATOM 893 N LEU A 62 -7.814 7.976 -8.194 1.00 0.00 N ATOM 894 CA LEU A 62 -7.769 7.372 -6.867 1.00 0.00 C ATOM 895 C LEU A 62 -8.621 8.164 -5.880 1.00 0.00 C ATOM 896 O LEU A 62 -8.809 9.371 -6.033 1.00 0.00 O ATOM 897 CB LEU A 62 -6.326 7.298 -6.367 1.00 0.00 C ATOM 898 CG LEU A 62 -5.547 6.038 -6.750 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.057 6.333 -6.823 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.823 4.919 -5.757 1.00 0.00 C ATOM 0 H LEU A 62 -7.417 8.914 -8.244 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.173 6.362 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.786 8.165 -6.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.334 7.380 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.880 5.713 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.519 5.425 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.875 7.103 -7.573 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.707 6.683 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.261 4.030 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.518 5.234 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.889 4.689 -5.755 1.00 0.00 H new ATOM 912 N LYS A 63 -9.132 7.477 -4.864 1.00 0.00 N ATOM 913 CA LYS A 63 -9.961 8.115 -3.848 1.00 0.00 C ATOM 914 C LYS A 63 -9.916 7.333 -2.539 1.00 0.00 C ATOM 915 O LYS A 63 -9.707 6.121 -2.536 1.00 0.00 O ATOM 916 CB LYS A 63 -11.407 8.228 -4.337 1.00 0.00 C ATOM 917 CG LYS A 63 -12.271 9.133 -3.477 1.00 0.00 C ATOM 918 CD LYS A 63 -13.728 9.085 -3.905 1.00 0.00 C ATOM 919 CE LYS A 63 -13.959 9.872 -5.186 1.00 0.00 C ATOM 920 NZ LYS A 63 -15.408 10.002 -5.504 1.00 0.00 N ATOM 0 H LYS A 63 -8.986 6.477 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.565 9.115 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.407 8.604 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.852 7.233 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.188 8.832 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.905 10.158 -3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.031 8.048 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.355 9.489 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.519 10.864 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.449 9.378 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.523 10.545 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.823 9.056 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.891 10.496 -4.727 1.00 0.00 H new ATOM 934 N ALA A 64 -10.114 8.036 -1.428 1.00 0.00 N ATOM 935 CA ALA A 64 -10.099 7.407 -0.114 1.00 0.00 C ATOM 936 C ALA A 64 -11.270 6.444 0.048 1.00 0.00 C ATOM 937 O ALA A 64 -12.367 6.845 0.435 1.00 0.00 O ATOM 938 CB ALA A 64 -10.129 8.466 0.979 1.00 0.00 C ATOM 0 H ALA A 64 -10.287 9.041 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.176 6.834 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.117 7.982 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.256 9.112 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.035 9.064 0.881 1.00 0.00 H new ATOM 944 N GLY A 65 -11.030 5.171 -0.252 1.00 0.00 N ATOM 945 CA GLY A 65 -12.076 4.172 -0.134 1.00 0.00 C ATOM 946 C GLY A 65 -12.131 3.247 -1.334 1.00 0.00 C ATOM 947 O GLY A 65 -13.203 2.774 -1.713 1.00 0.00 O ATOM 0 H GLY A 65 -10.131 4.814 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.912 3.583 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.039 4.670 -0.018 1.00 0.00 H new ATOM 951 N ASP A 66 -10.974 2.989 -1.934 1.00 0.00 N ATOM 952 CA ASP A 66 -10.895 2.115 -3.099 1.00 0.00 C ATOM 953 C ASP A 66 -10.192 0.807 -2.749 1.00 0.00 C ATOM 954 O ASP A 66 -9.651 0.656 -1.654 1.00 0.00 O ATOM 955 CB ASP A 66 -10.156 2.816 -4.240 1.00 0.00 C ATOM 956 CG ASP A 66 -10.926 4.004 -4.784 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.284 4.896 -3.986 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.170 4.042 -6.008 1.00 0.00 O ATOM 0 H ASP A 66 -10.078 3.373 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.911 1.886 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.180 3.150 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.977 2.103 -5.045 1.00 0.00 H new ATOM 963 N GLU A 67 -10.205 -0.135 -3.687 1.00 0.00 N ATOM 964 CA GLU A 67 -9.571 -1.431 -3.477 1.00 0.00 C ATOM 965 C GLU A 67 -8.544 -1.717 -4.568 1.00 0.00 C ATOM 966 O GLU A 67 -8.874 -1.743 -5.754 1.00 0.00 O ATOM 967 CB GLU A 67 -10.624 -2.541 -3.448 1.00 0.00 C ATOM 968 CG GLU A 67 -10.033 -3.940 -3.416 1.00 0.00 C ATOM 969 CD GLU A 67 -10.947 -4.974 -4.043 1.00 0.00 C ATOM 970 OE1 GLU A 67 -10.926 -5.111 -5.284 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.685 -5.646 -3.292 1.00 0.00 O ATOM 0 H GLU A 67 -10.648 -0.025 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.057 -1.404 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.260 -2.404 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.264 -2.446 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.078 -3.939 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.828 -4.220 -2.383 1.00 0.00 H new ATOM 978 N ILE A 68 -7.298 -1.931 -4.159 1.00 0.00 N ATOM 979 CA ILE A 68 -6.223 -2.216 -5.101 1.00 0.00 C ATOM 980 C ILE A 68 -6.137 -3.709 -5.402 1.00 0.00 C ATOM 981 O ILE A 68 -6.000 -4.530 -4.495 1.00 0.00 O ATOM 982 CB ILE A 68 -4.862 -1.734 -4.565 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.991 -0.327 -3.977 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.818 -1.757 -5.672 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.159 0.752 -5.023 1.00 0.00 C ATOM 0 H ILE A 68 -7.008 -1.912 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.456 -1.675 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.539 -2.411 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.845 -0.302 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.105 -0.109 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.862 -1.414 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.711 -2.774 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.133 -1.100 -6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.244 1.723 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.294 0.754 -5.686 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.061 0.558 -5.604 1.00 0.00 H new ATOM 997 N LEU A 69 -6.218 -4.053 -6.683 1.00 0.00 N ATOM 998 CA LEU A 69 -6.148 -5.448 -7.105 1.00 0.00 C ATOM 999 C LEU A 69 -4.699 -5.907 -7.228 1.00 0.00 C ATOM 1000 O LEU A 69 -4.360 -7.030 -6.855 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.869 -5.633 -8.442 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.303 -5.108 -8.509 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.657 -4.701 -9.931 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.279 -6.156 -7.994 1.00 0.00 C ATOM 0 H LEU A 69 -6.332 -3.386 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.640 -6.057 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.285 -5.138 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.881 -6.696 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.377 -4.227 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.682 -4.330 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.978 -3.917 -10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.566 -5.564 -10.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.295 -5.765 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.203 -7.056 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.039 -6.399 -6.959 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.848 -5.031 -7.753 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.434 -5.347 -7.923 1.00 0.00 C ATOM 1018 C GLU A 70 -1.579 -4.088 -7.820 1.00 0.00 C ATOM 1019 O GLU A 70 -2.063 -2.976 -8.035 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.200 -6.027 -9.274 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.387 -7.534 -9.237 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.265 -8.171 -10.608 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -2.484 -7.463 -11.613 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -1.951 -9.378 -10.675 1.00 0.00 O ATOM 0 H GLU A 70 -4.113 -4.098 -8.068 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.142 -6.030 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.884 -5.602 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.189 -5.803 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.645 -7.972 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.367 -7.765 -8.819 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.305 -4.271 -7.490 1.00 0.00 N ATOM 1032 CA ILE A 71 0.618 -3.150 -7.359 1.00 0.00 C ATOM 1033 C ILE A 71 1.969 -3.474 -7.990 1.00 0.00 C ATOM 1034 O ILE A 71 2.725 -4.296 -7.474 1.00 0.00 O ATOM 1035 CB ILE A 71 0.832 -2.767 -5.883 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.498 -2.372 -5.238 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.839 -1.632 -5.771 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.531 -2.589 -3.741 1.00 0.00 C ATOM 0 H ILE A 71 0.112 -5.184 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 71 0.168 -2.307 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 71 1.229 -3.632 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.697 -1.321 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.301 -2.948 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.980 -1.373 -4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.791 -1.947 -6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.469 -0.762 -6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.503 -2.288 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.363 -3.644 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.250 -1.992 -3.270 1.00 0.00 H new ATOM 1050 N ASN A 72 2.265 -2.820 -9.108 1.00 0.00 N ATOM 1051 CA ASN A 72 3.526 -3.037 -9.809 1.00 0.00 C ATOM 1052 C ASN A 72 3.645 -4.484 -10.277 1.00 0.00 C ATOM 1053 O ASN A 72 4.693 -5.110 -10.127 1.00 0.00 O ATOM 1054 CB ASN A 72 4.705 -2.683 -8.901 1.00 0.00 C ATOM 1055 CG ASN A 72 4.904 -1.186 -8.769 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.971 -0.405 -8.956 1.00 0.00 O ATOM 1057 ND2 ASN A 72 6.126 -0.778 -8.445 1.00 0.00 N ATOM 0 H ASN A 72 1.650 -2.136 -9.548 1.00 0.00 H new ATOM 0 HA ASN A 72 3.544 -2.388 -10.685 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.541 -3.113 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.614 -3.134 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.321 0.218 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.870 -1.461 -8.299 1.00 0.00 H new ATOM 1064 N ASN A 73 2.564 -5.008 -10.845 1.00 0.00 N ATOM 1065 CA ASN A 73 2.548 -6.381 -11.336 1.00 0.00 C ATOM 1066 C ASN A 73 2.737 -7.371 -10.190 1.00 0.00 C ATOM 1067 O ASN A 73 3.395 -8.399 -10.347 1.00 0.00 O ATOM 1068 CB ASN A 73 3.643 -6.583 -12.385 1.00 0.00 C ATOM 1069 CG ASN A 73 3.160 -6.283 -13.790 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.498 -5.272 -14.029 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.488 -7.162 -14.730 1.00 0.00 N ATOM 0 H ASN A 73 1.688 -4.503 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 73 1.577 -6.565 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.491 -5.939 -12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.001 -7.611 -12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.190 -7.013 -15.694 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.038 -7.986 -14.488 1.00 0.00 H new ATOM 1078 N ARG A 74 2.156 -7.052 -9.038 1.00 0.00 N ATOM 1079 CA ARG A 74 2.261 -7.911 -7.865 1.00 0.00 C ATOM 1080 C ARG A 74 0.925 -8.000 -7.134 1.00 0.00 C ATOM 1081 O ARG A 74 0.184 -7.021 -7.054 1.00 0.00 O ATOM 1082 CB ARG A 74 3.340 -7.386 -6.916 1.00 0.00 C ATOM 1083 CG ARG A 74 4.756 -7.584 -7.433 1.00 0.00 C ATOM 1084 CD ARG A 74 5.305 -8.948 -7.043 1.00 0.00 C ATOM 1085 NE ARG A 74 6.706 -9.103 -7.426 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.417 -10.198 -7.181 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.862 -11.228 -6.557 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.687 -10.264 -7.560 1.00 0.00 N ATOM 0 H ARG A 74 1.608 -6.204 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 74 2.538 -8.910 -8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.172 -6.323 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.240 -7.888 -5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.766 -7.483 -8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.403 -6.802 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.206 -9.084 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.710 -9.728 -7.519 1.00 0.00 H new ATOM 0 HE ARG A 74 7.163 -8.329 -7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.886 -11.181 -6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.411 -12.067 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.118 -9.474 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.232 -11.105 -7.372 1.00 0.00 H new ATOM 1102 N ALA A 75 0.624 -9.181 -6.604 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.622 -9.397 -5.879 1.00 0.00 C ATOM 1104 C ALA A 75 -0.604 -8.684 -4.531 1.00 0.00 C ATOM 1105 O ALA A 75 0.265 -8.936 -3.697 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.870 -10.886 -5.687 1.00 0.00 C ATOM 0 H ALA A 75 1.226 -10.002 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.435 -8.978 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.804 -11.032 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.936 -11.372 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.048 -11.321 -5.119 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.568 -7.793 -4.326 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.663 -7.044 -3.078 1.00 0.00 C ATOM 1114 C ALA A 76 -1.630 -7.979 -1.874 1.00 0.00 C ATOM 1115 O ALA A 76 -0.886 -7.751 -0.920 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.931 -6.203 -3.063 1.00 0.00 C ATOM 0 H ALA A 76 -2.294 -7.572 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.800 -6.381 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.989 -5.649 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.913 -5.503 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.800 -6.854 -3.154 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.442 -9.029 -1.924 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.506 -9.998 -0.836 1.00 0.00 C ATOM 1124 C ASP A 77 -1.130 -10.594 -0.558 1.00 0.00 C ATOM 1125 O ASP A 77 -0.796 -10.903 0.586 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.499 -11.112 -1.174 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.848 -12.262 -1.917 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.680 -12.153 -3.150 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.506 -13.270 -1.265 1.00 0.00 O ATOM 0 H ASP A 77 -3.065 -9.231 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.845 -9.479 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.948 -11.486 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.307 -10.703 -1.780 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.336 -10.754 -1.612 1.00 0.00 N ATOM 1135 CA ALA A 78 1.004 -11.312 -1.481 1.00 0.00 C ATOM 1136 C ALA A 78 1.951 -10.318 -0.816 1.00 0.00 C ATOM 1137 O ALA A 78 2.899 -10.709 -0.134 1.00 0.00 O ATOM 1138 CB ALA A 78 1.540 -11.724 -2.844 1.00 0.00 C ATOM 0 H ALA A 78 -0.598 -10.505 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 78 0.942 -12.195 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.542 -12.139 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.883 -12.476 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.580 -10.853 -3.498 1.00 0.00 H new ATOM 1144 N LEU A 79 1.688 -9.032 -1.021 1.00 0.00 N ATOM 1145 CA LEU A 79 2.518 -7.981 -0.442 1.00 0.00 C ATOM 1146 C LEU A 79 2.083 -7.668 0.987 1.00 0.00 C ATOM 1147 O LEU A 79 0.892 -7.538 1.269 1.00 0.00 O ATOM 1148 CB LEU A 79 2.443 -6.715 -1.298 1.00 0.00 C ATOM 1149 CG LEU A 79 2.712 -6.899 -2.792 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.366 -5.631 -3.556 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.164 -7.287 -3.028 1.00 0.00 C ATOM 0 H LEU A 79 0.908 -8.692 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 79 3.548 -8.337 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.452 -6.278 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.159 -5.993 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 79 2.077 -7.705 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.564 -5.780 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.311 -5.396 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.975 -4.806 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.338 -7.414 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.817 -6.503 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.379 -8.223 -2.512 1.00 0.00 H new ATOM 1163 N ASN A 80 3.056 -7.548 1.883 1.00 0.00 N ATOM 1164 CA ASN A 80 2.774 -7.249 3.283 1.00 0.00 C ATOM 1165 C ASN A 80 3.061 -5.783 3.594 1.00 0.00 C ATOM 1166 O ASN A 80 3.688 -5.081 2.801 1.00 0.00 O ATOM 1167 CB ASN A 80 3.608 -8.149 4.196 1.00 0.00 C ATOM 1168 CG ASN A 80 3.765 -9.551 3.639 1.00 0.00 C ATOM 1169 OD1 ASN A 80 2.780 -10.242 3.378 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.009 -9.978 3.455 1.00 0.00 N ATOM 0 H ASN A 80 4.047 -7.653 1.666 1.00 0.00 H new ATOM 0 HA ASN A 80 1.716 -7.440 3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.593 -7.705 4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.138 -8.202 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.178 -10.913 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.796 -9.371 3.685 1.00 0.00 H new ATOM 1177 N SER A 81 2.599 -5.329 4.755 1.00 0.00 N ATOM 1178 CA SER A 81 2.803 -3.947 5.171 1.00 0.00 C ATOM 1179 C SER A 81 4.210 -3.475 4.815 1.00 0.00 C ATOM 1180 O SER A 81 4.400 -2.350 4.351 1.00 0.00 O ATOM 1181 CB SER A 81 2.572 -3.805 6.677 1.00 0.00 C ATOM 1182 OG SER A 81 1.284 -4.271 7.041 1.00 0.00 O ATOM 0 H SER A 81 2.081 -5.899 5.424 1.00 0.00 H new ATOM 0 HA SER A 81 2.083 -3.324 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.332 -4.367 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.680 -2.760 6.968 1.00 0.00 H new ATOM 0 HG SER A 81 1.161 -4.171 8.008 1.00 0.00 H new ATOM 1188 N SER A 82 5.192 -4.342 5.035 1.00 0.00 N ATOM 1189 CA SER A 82 6.582 -4.014 4.741 1.00 0.00 C ATOM 1190 C SER A 82 6.774 -3.745 3.251 1.00 0.00 C ATOM 1191 O SER A 82 7.191 -2.657 2.855 1.00 0.00 O ATOM 1192 CB SER A 82 7.502 -5.152 5.188 1.00 0.00 C ATOM 1193 OG SER A 82 7.504 -5.282 6.599 1.00 0.00 O ATOM 0 H SER A 82 5.051 -5.278 5.416 1.00 0.00 H new ATOM 0 HA SER A 82 6.840 -3.110 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.175 -6.088 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.516 -4.964 4.836 1.00 0.00 H new ATOM 0 HG SER A 82 8.098 -6.017 6.859 1.00 0.00 H new ATOM 1199 N MET A 83 6.465 -4.744 2.432 1.00 0.00 N ATOM 1200 CA MET A 83 6.602 -4.616 0.985 1.00 0.00 C ATOM 1201 C MET A 83 5.901 -3.358 0.483 1.00 0.00 C ATOM 1202 O MET A 83 6.495 -2.547 -0.229 1.00 0.00 O ATOM 1203 CB MET A 83 6.026 -5.848 0.286 1.00 0.00 C ATOM 1204 CG MET A 83 6.919 -7.074 0.381 1.00 0.00 C ATOM 1205 SD MET A 83 6.876 -7.840 2.013 1.00 0.00 S ATOM 1206 CE MET A 83 7.322 -9.527 1.608 1.00 0.00 C ATOM 0 H MET A 83 6.118 -5.651 2.744 1.00 0.00 H new ATOM 0 HA MET A 83 7.664 -4.538 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.055 -6.082 0.722 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.856 -5.613 -0.765 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.608 -7.804 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.945 -6.791 0.144 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.563 -10.069 2.522 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.485 -10.014 1.107 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.189 -9.526 0.947 1.00 0.00 H new ATOM 1216 N LEU A 84 4.636 -3.201 0.857 1.00 0.00 N ATOM 1217 CA LEU A 84 3.854 -2.041 0.443 1.00 0.00 C ATOM 1218 C LEU A 84 4.618 -0.747 0.708 1.00 0.00 C ATOM 1219 O LEU A 84 4.857 0.043 -0.206 1.00 0.00 O ATOM 1220 CB LEU A 84 2.514 -2.015 1.181 1.00 0.00 C ATOM 1221 CG LEU A 84 1.470 -3.029 0.712 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.527 -3.388 1.849 1.00 0.00 C ATOM 1223 CD2 LEU A 84 0.693 -2.482 -0.476 1.00 0.00 C ATOM 0 H LEU A 84 4.130 -3.862 1.446 1.00 0.00 H new ATOM 0 HA LEU A 84 3.671 -2.121 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.703 -2.182 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.089 -1.016 1.086 1.00 0.00 H new ATOM 0 HG LEU A 84 1.987 -3.935 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.209 -4.111 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.097 -3.822 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.016 -2.490 2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.046 -3.216 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.187 -1.561 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.380 -2.276 -1.297 1.00 0.00 H new ATOM 1235 N LYS A 85 5.000 -0.538 1.963 1.00 0.00 N ATOM 1236 CA LYS A 85 5.741 0.658 2.348 1.00 0.00 C ATOM 1237 C LYS A 85 6.740 1.052 1.265 1.00 0.00 C ATOM 1238 O LYS A 85 6.810 2.215 0.866 1.00 0.00 O ATOM 1239 CB LYS A 85 6.473 0.425 3.672 1.00 0.00 C ATOM 1240 CG LYS A 85 7.299 1.615 4.127 1.00 0.00 C ATOM 1241 CD LYS A 85 8.461 1.184 5.006 1.00 0.00 C ATOM 1242 CE LYS A 85 7.979 0.656 6.348 1.00 0.00 C ATOM 1243 NZ LYS A 85 7.722 -0.810 6.308 1.00 0.00 N ATOM 0 H LYS A 85 4.809 -1.181 2.731 1.00 0.00 H new ATOM 0 HA LYS A 85 5.028 1.473 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.742 0.184 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.126 -0.442 3.569 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.679 2.149 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.665 2.311 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.038 0.412 4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.131 2.029 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.725 0.873 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.066 1.177 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.829 -1.207 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.755 -0.984 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.402 -1.264 5.666 1.00 0.00 H new ATOM 1257 N ASP A 86 7.508 0.077 0.792 1.00 0.00 N ATOM 1258 CA ASP A 86 8.501 0.322 -0.247 1.00 0.00 C ATOM 1259 C ASP A 86 7.836 0.812 -1.530 1.00 0.00 C ATOM 1260 O ASP A 86 8.239 1.824 -2.103 1.00 0.00 O ATOM 1261 CB ASP A 86 9.302 -0.950 -0.527 1.00 0.00 C ATOM 1262 CG ASP A 86 10.363 -1.210 0.524 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.230 -0.333 0.721 1.00 0.00 O ATOM 1264 OD2 ASP A 86 10.327 -2.290 1.150 1.00 0.00 O ATOM 0 H ASP A 86 7.462 -0.891 1.112 1.00 0.00 H new ATOM 0 HA ASP A 86 9.179 1.098 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.623 -1.801 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.776 -0.869 -1.505 1.00 0.00 H new ATOM 1269 N PHE A 87 6.816 0.087 -1.975 1.00 0.00 N ATOM 1270 CA PHE A 87 6.096 0.446 -3.191 1.00 0.00 C ATOM 1271 C PHE A 87 5.695 1.918 -3.171 1.00 0.00 C ATOM 1272 O PHE A 87 5.831 2.624 -4.172 1.00 0.00 O ATOM 1273 CB PHE A 87 4.852 -0.431 -3.351 1.00 0.00 C ATOM 1274 CG PHE A 87 5.113 -1.712 -4.089 1.00 0.00 C ATOM 1275 CD1 PHE A 87 5.680 -1.696 -5.353 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.790 -2.933 -3.520 1.00 0.00 C ATOM 1277 CE1 PHE A 87 5.921 -2.874 -6.036 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.029 -4.114 -4.197 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.594 -4.084 -5.457 1.00 0.00 C ATOM 0 H PHE A 87 6.469 -0.753 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 87 6.760 0.280 -4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.452 -0.664 -2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.085 0.134 -3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.937 -0.752 -5.810 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.346 -2.962 -2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.364 -2.848 -7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.774 -5.059 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.780 -5.006 -5.989 1.00 0.00 H new ATOM 1289 N LEU A 88 5.200 2.375 -2.026 1.00 0.00 N ATOM 1290 CA LEU A 88 4.779 3.763 -1.875 1.00 0.00 C ATOM 1291 C LEU A 88 5.980 4.702 -1.894 1.00 0.00 C ATOM 1292 O LEU A 88 5.861 5.872 -2.258 1.00 0.00 O ATOM 1293 CB LEU A 88 3.999 3.940 -0.570 1.00 0.00 C ATOM 1294 CG LEU A 88 2.648 3.228 -0.494 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.097 3.280 0.922 1.00 0.00 C ATOM 1296 CD2 LEU A 88 1.663 3.847 -1.475 1.00 0.00 C ATOM 0 H LEU A 88 5.080 1.805 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 88 4.132 4.014 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.621 3.586 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.835 5.006 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 88 2.793 2.183 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.135 2.768 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.794 2.790 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.966 4.319 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.707 3.328 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.522 4.900 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.054 3.757 -2.489 1.00 0.00 H new ATOM 1308 N SER A 89 7.138 4.181 -1.501 1.00 0.00 N ATOM 1309 CA SER A 89 8.362 4.974 -1.471 1.00 0.00 C ATOM 1310 C SER A 89 9.079 4.917 -2.817 1.00 0.00 C ATOM 1311 O SER A 89 10.307 4.957 -2.879 1.00 0.00 O ATOM 1312 CB SER A 89 9.292 4.474 -0.364 1.00 0.00 C ATOM 1313 OG SER A 89 8.963 5.063 0.883 1.00 0.00 O ATOM 0 H SER A 89 7.255 3.214 -1.199 1.00 0.00 H new ATOM 0 HA SER A 89 8.090 6.010 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.221 3.389 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.325 4.709 -0.619 1.00 0.00 H new ATOM 0 HG SER A 89 9.570 4.726 1.574 1.00 0.00 H new ATOM 1319 N GLN A 90 8.302 4.823 -3.891 1.00 0.00 N ATOM 1320 CA GLN A 90 8.862 4.760 -5.235 1.00 0.00 C ATOM 1321 C GLN A 90 8.314 5.884 -6.107 1.00 0.00 C ATOM 1322 O GLN A 90 7.191 6.354 -5.923 1.00 0.00 O ATOM 1323 CB GLN A 90 8.553 3.405 -5.876 1.00 0.00 C ATOM 1324 CG GLN A 90 9.253 2.238 -5.199 1.00 0.00 C ATOM 1325 CD GLN A 90 8.964 0.912 -5.875 1.00 0.00 C ATOM 1326 OE1 GLN A 90 8.767 0.851 -7.089 1.00 0.00 O ATOM 1327 NE2 GLN A 90 8.936 -0.159 -5.090 1.00 0.00 N ATOM 0 H GLN A 90 7.283 4.789 -3.856 1.00 0.00 H new ATOM 0 HA GLN A 90 9.943 4.880 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.476 3.237 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.845 3.434 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.329 2.415 -5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.939 2.186 -4.157 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.105 -0.062 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.746 -1.078 -5.488 1.00 0.00 H new ATOM 1336 N PRO A 91 9.123 6.328 -7.080 1.00 0.00 N ATOM 1337 CA PRO A 91 8.740 7.404 -8.000 1.00 0.00 C ATOM 1338 C PRO A 91 7.647 6.973 -8.972 1.00 0.00 C ATOM 1339 O PRO A 91 6.861 7.796 -9.440 1.00 0.00 O ATOM 1340 CB PRO A 91 10.038 7.705 -8.753 1.00 0.00 C ATOM 1341 CG PRO A 91 10.821 6.439 -8.680 1.00 0.00 C ATOM 1342 CD PRO A 91 10.475 5.814 -7.357 1.00 0.00 C ATOM 0 HA PRO A 91 8.328 8.265 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.839 7.989 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.579 8.532 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.565 5.774 -9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.891 6.637 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.488 4.725 -7.411 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.182 6.103 -6.579 1.00 0.00 H new ATOM 1350 N SER A 92 7.604 5.678 -9.271 1.00 0.00 N ATOM 1351 CA SER A 92 6.609 5.139 -10.190 1.00 0.00 C ATOM 1352 C SER A 92 5.848 3.982 -9.550 1.00 0.00 C ATOM 1353 O SER A 92 6.439 3.122 -8.895 1.00 0.00 O ATOM 1354 CB SER A 92 7.279 4.671 -11.483 1.00 0.00 C ATOM 1355 OG SER A 92 7.846 3.381 -11.325 1.00 0.00 O ATOM 0 H SER A 92 8.247 4.983 -8.890 1.00 0.00 H new ATOM 0 HA SER A 92 5.899 5.932 -10.424 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.547 4.654 -12.290 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.055 5.380 -11.772 1.00 0.00 H new ATOM 0 HG SER A 92 8.267 3.103 -12.165 1.00 0.00 H new ATOM 1361 N LEU A 93 4.534 3.967 -9.743 1.00 0.00 N ATOM 1362 CA LEU A 93 3.691 2.916 -9.185 1.00 0.00 C ATOM 1363 C LEU A 93 2.520 2.607 -10.113 1.00 0.00 C ATOM 1364 O LEU A 93 1.838 3.512 -10.592 1.00 0.00 O ATOM 1365 CB LEU A 93 3.169 3.330 -7.808 1.00 0.00 C ATOM 1366 CG LEU A 93 4.049 2.955 -6.616 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.425 3.440 -5.317 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.275 1.450 -6.572 1.00 0.00 C ATOM 0 H LEU A 93 4.029 4.671 -10.282 1.00 0.00 H new ATOM 0 HA LEU A 93 4.297 2.016 -9.081 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.029 4.411 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.186 2.881 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 93 5.016 3.444 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.066 3.164 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.316 4.524 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.445 2.980 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.904 1.201 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.316 0.941 -6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.767 1.129 -7.490 1.00 0.00 H new ATOM 1380 N GLY A 94 2.292 1.320 -10.362 1.00 0.00 N ATOM 1381 CA GLY A 94 1.202 0.915 -11.230 1.00 0.00 C ATOM 1382 C GLY A 94 0.119 0.160 -10.486 1.00 0.00 C ATOM 1383 O GLY A 94 0.222 -1.051 -10.284 1.00 0.00 O ATOM 0 H GLY A 94 2.843 0.552 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.768 1.798 -11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.593 0.288 -12.031 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.923 0.875 -10.075 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.030 0.265 -9.347 1.00 0.00 C ATOM 1389 C LEU A 95 -3.148 -0.145 -10.300 1.00 0.00 C ATOM 1390 O LEU A 95 -3.468 0.576 -11.246 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.571 1.236 -8.296 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.525 1.951 -7.441 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.103 3.224 -6.843 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.012 1.029 -6.344 1.00 0.00 C ATOM 0 H LEU A 95 -1.024 1.878 -10.234 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.656 -0.629 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.174 1.990 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.239 0.687 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.686 2.224 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.344 3.719 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.420 3.891 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.960 2.975 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.268 1.555 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.842 0.725 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.558 0.146 -6.794 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.741 -1.306 -10.044 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.826 -1.812 -10.877 1.00 0.00 C ATOM 1408 C LEU A 96 -6.147 -1.805 -10.115 1.00 0.00 C ATOM 1409 O LEU A 96 -6.394 -2.668 -9.273 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.508 -3.229 -11.357 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.604 -3.925 -12.166 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.818 -3.218 -13.495 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.253 -5.389 -12.389 1.00 0.00 C ATOM 0 H LEU A 96 -3.488 -1.915 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.924 -1.155 -11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.604 -3.191 -11.965 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.281 -3.844 -10.486 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.534 -3.877 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.601 -3.728 -14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.115 -2.185 -13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.891 -3.234 -14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.043 -5.869 -12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.312 -5.459 -12.935 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.152 -5.890 -11.426 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.994 -0.827 -10.418 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.292 -0.709 -9.764 1.00 0.00 C ATOM 1427 C VAL A 97 -9.428 -0.818 -10.774 1.00 0.00 C ATOM 1428 O VAL A 97 -9.220 -0.660 -11.977 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.420 0.625 -9.005 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.356 0.728 -7.923 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.325 1.797 -9.970 1.00 0.00 C ATOM 0 H VAL A 97 -6.805 -0.104 -11.113 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.363 -1.531 -9.052 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.398 0.657 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.462 1.677 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.475 -0.093 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.367 0.674 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.417 2.732 -9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.362 1.771 -10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.127 1.729 -10.705 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.631 -1.087 -10.277 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.801 -1.217 -11.137 1.00 0.00 C ATOM 1443 C ARG A 98 -12.714 -0.002 -11.001 1.00 0.00 C ATOM 1444 O ARG A 98 -12.891 0.537 -9.907 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.576 -2.491 -10.791 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.124 -3.710 -11.577 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.938 -4.942 -11.211 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.754 -5.324 -9.813 1.00 0.00 N ATOM 1449 CZ ARG A 98 -13.563 -6.156 -9.167 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.605 -6.690 -9.788 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -13.330 -6.456 -7.895 1.00 0.00 N ATOM 0 H ARG A 98 -10.821 -1.219 -9.284 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.456 -1.278 -12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.467 -2.695 -9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.637 -2.323 -10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.221 -3.512 -12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.068 -3.899 -11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.994 -4.747 -11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.648 -5.772 -11.855 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.961 -4.931 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.788 -6.462 -10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.224 -7.329 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.529 -6.047 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.952 -7.095 -7.400 1.00 0.00 H new ATOM 1465 N THR A 99 -13.291 0.427 -12.119 1.00 0.00 N ATOM 1466 CA THR A 99 -14.183 1.579 -12.126 1.00 0.00 C ATOM 1467 C THR A 99 -15.357 1.360 -13.073 1.00 0.00 C ATOM 1468 O THR A 99 -15.356 0.424 -13.873 1.00 0.00 O ATOM 1469 CB THR A 99 -13.439 2.864 -12.536 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.285 4.003 -12.344 1.00 0.00 O ATOM 1471 CG2 THR A 99 -12.999 2.792 -13.991 1.00 0.00 C ATOM 0 H THR A 99 -13.156 -0.007 -13.032 1.00 0.00 H new ATOM 0 HA THR A 99 -14.557 1.694 -11.109 1.00 0.00 H new ATOM 0 HB THR A 99 -12.553 2.961 -11.908 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.804 4.816 -12.605 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.476 3.710 -14.259 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.332 1.941 -14.128 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.874 2.673 -14.630 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.357 2.230 -12.980 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.538 2.130 -13.828 1.00 0.00 C ATOM 1481 C TYR A 100 -17.292 2.786 -15.184 1.00 0.00 C ATOM 1482 O TYR A 100 -16.739 3.882 -15.281 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.740 2.783 -13.144 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.067 2.186 -11.794 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -19.730 0.969 -11.693 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -18.713 2.838 -10.619 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -20.031 0.419 -10.462 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.009 2.295 -9.384 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.668 1.085 -9.311 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.966 0.542 -8.082 1.00 0.00 O ATOM 0 H TYR A 100 -16.373 3.012 -12.326 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.750 1.073 -13.989 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -18.544 3.848 -13.023 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.611 2.691 -13.793 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -20.015 0.444 -12.593 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -18.198 3.786 -10.672 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -20.548 -0.527 -10.402 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.726 2.815 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.640 1.136 -7.374 1.00 0.00 H new