USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 39 TYR OH : rot 30:sc= 0.581 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -167:sc= 0.65 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -145:sc= -2.42! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.447 F(o=-1.1,f=-0.45) USER MOD Single : A 34 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 78:sc= 1.24 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.796 USER MOD Single : A 51 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-4.3!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.256) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.321 -3.025 -8.587 1.00 0.00 N ATOM 184 CA GLY A 13 -1.153 -3.952 -8.510 1.00 0.00 C ATOM 185 C GLY A 13 0.166 -3.179 -8.666 1.00 0.00 C ATOM 186 O GLY A 13 1.232 -3.766 -8.632 1.00 0.00 O ATOM 0 HA2 GLY A 13 -1.162 -4.477 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.231 -4.709 -9.291 1.00 0.00 H new ATOM 190 N GLY A 14 0.115 -1.876 -8.830 1.00 0.00 N ATOM 191 CA GLY A 14 1.374 -1.089 -8.979 1.00 0.00 C ATOM 192 C GLY A 14 1.832 -0.623 -7.601 1.00 0.00 C ATOM 193 O GLY A 14 3.008 -0.621 -7.288 1.00 0.00 O ATOM 0 H GLY A 14 -0.745 -1.328 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.147 -1.699 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.207 -0.231 -9.631 1.00 0.00 H new ATOM 197 N ILE A 15 0.898 -0.228 -6.777 1.00 0.00 N ATOM 198 CA ILE A 15 1.246 0.244 -5.409 1.00 0.00 C ATOM 199 C ILE A 15 1.818 -0.923 -4.605 1.00 0.00 C ATOM 200 O ILE A 15 2.783 -0.774 -3.879 1.00 0.00 O ATOM 201 CB ILE A 15 -0.012 0.765 -4.707 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.765 1.739 -5.631 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.391 1.489 -3.424 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.997 1.041 -6.212 1.00 0.00 C ATOM 0 H ILE A 15 -0.098 -0.213 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 15 1.982 1.045 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.665 -0.075 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.065 2.627 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.110 2.074 -6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.501 1.862 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.917 0.797 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.046 2.325 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.531 1.730 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.684 0.167 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.654 0.728 -5.401 1.00 0.00 H new ATOM 216 N THR A 16 1.226 -2.084 -4.730 1.00 0.00 N ATOM 217 CA THR A 16 1.722 -3.272 -3.973 1.00 0.00 C ATOM 218 C THR A 16 3.177 -3.558 -4.359 1.00 0.00 C ATOM 219 O THR A 16 3.955 -4.042 -3.557 1.00 0.00 O ATOM 220 CB THR A 16 0.857 -4.492 -4.301 1.00 0.00 C ATOM 221 OG1 THR A 16 1.403 -5.641 -3.669 1.00 0.00 O ATOM 222 CG2 THR A 16 0.822 -4.709 -5.815 1.00 0.00 C ATOM 0 H THR A 16 0.417 -2.260 -5.326 1.00 0.00 H new ATOM 0 HA THR A 16 1.664 -3.066 -2.904 1.00 0.00 H new ATOM 0 HB THR A 16 -0.157 -4.324 -3.939 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.268 -6.425 -4.242 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.205 -5.578 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.401 -3.828 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.835 -4.876 -6.182 1.00 0.00 H new ATOM 230 N ASP A 17 3.547 -3.256 -5.577 1.00 0.00 N ATOM 231 CA ASP A 17 4.950 -3.500 -6.021 1.00 0.00 C ATOM 232 C ASP A 17 5.891 -2.602 -5.217 1.00 0.00 C ATOM 233 O ASP A 17 7.011 -2.971 -4.915 1.00 0.00 O ATOM 234 CB ASP A 17 5.080 -3.175 -7.510 1.00 0.00 C ATOM 235 CG ASP A 17 6.170 -4.050 -8.131 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.242 -4.127 -7.553 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.915 -4.628 -9.175 1.00 0.00 O ATOM 0 H ASP A 17 2.935 -2.850 -6.285 1.00 0.00 H new ATOM 0 HA ASP A 17 5.211 -4.546 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.129 -3.347 -8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.325 -2.121 -7.643 1.00 0.00 H new ATOM 242 N MET A 18 5.437 -1.425 -4.866 1.00 0.00 N ATOM 243 CA MET A 18 6.291 -0.489 -4.077 1.00 0.00 C ATOM 244 C MET A 18 6.077 -0.719 -2.573 1.00 0.00 C ATOM 245 O MET A 18 6.865 -0.274 -1.758 1.00 0.00 O ATOM 246 CB MET A 18 5.919 0.953 -4.425 1.00 0.00 C ATOM 247 CG MET A 18 6.140 1.190 -5.920 1.00 0.00 C ATOM 248 SD MET A 18 7.872 1.626 -6.213 1.00 0.00 S ATOM 249 CE MET A 18 8.254 0.279 -7.358 1.00 0.00 C ATOM 0 H MET A 18 4.508 -1.072 -5.094 1.00 0.00 H new ATOM 0 HA MET A 18 7.338 -0.671 -4.321 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.878 1.144 -4.166 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.525 1.647 -3.842 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.879 0.294 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.488 1.989 -6.273 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.295 0.354 -7.674 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.094 -0.678 -6.861 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.604 0.348 -8.230 1.00 0.00 H new ATOM 259 N LEU A 19 5.027 -1.415 -2.195 1.00 0.00 N ATOM 260 CA LEU A 19 4.775 -1.672 -0.749 1.00 0.00 C ATOM 261 C LEU A 19 5.494 -2.957 -0.353 1.00 0.00 C ATOM 262 O LEU A 19 6.000 -3.090 0.745 1.00 0.00 O ATOM 263 CB LEU A 19 3.269 -1.841 -0.515 1.00 0.00 C ATOM 264 CG LEU A 19 2.622 -0.473 -0.245 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.336 -0.339 -1.064 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.280 -0.351 1.243 1.00 0.00 C ATOM 0 H LEU A 19 4.337 -1.814 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 19 5.140 -0.837 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.807 -2.305 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.096 -2.507 0.330 1.00 0.00 H new ATOM 0 HG LEU A 19 3.321 0.313 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.880 0.632 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.570 -0.424 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.640 -1.129 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.821 0.620 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.584 -1.142 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.191 -0.444 1.834 1.00 0.00 H new ATOM 278 N VAL A 20 5.541 -3.899 -1.254 1.00 0.00 N ATOM 279 CA VAL A 20 6.223 -5.188 -0.970 1.00 0.00 C ATOM 280 C VAL A 20 7.731 -5.013 -1.167 1.00 0.00 C ATOM 281 O VAL A 20 8.531 -5.657 -0.514 1.00 0.00 O ATOM 282 CB VAL A 20 5.694 -6.250 -1.935 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.308 -7.604 -1.593 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.171 -6.337 -1.810 1.00 0.00 C ATOM 0 H VAL A 20 5.130 -3.827 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 20 6.029 -5.498 0.057 1.00 0.00 H new ATOM 0 HB VAL A 20 5.963 -5.978 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.930 -8.359 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.393 -7.544 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.041 -7.877 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.792 -7.094 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.905 -6.609 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.730 -5.371 -2.055 1.00 0.00 H new ATOM 294 N GLU A 21 8.121 -4.146 -2.067 1.00 0.00 N ATOM 295 CA GLU A 21 9.574 -3.920 -2.320 1.00 0.00 C ATOM 296 C GLU A 21 10.197 -3.198 -1.124 1.00 0.00 C ATOM 297 O GLU A 21 11.140 -3.682 -0.520 1.00 0.00 O ATOM 298 CB GLU A 21 9.746 -3.067 -3.578 1.00 0.00 C ATOM 299 CG GLU A 21 11.230 -2.983 -3.939 1.00 0.00 C ATOM 300 CD GLU A 21 11.519 -1.635 -4.602 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.755 -1.248 -5.470 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.499 -1.011 -4.229 1.00 0.00 O ATOM 0 H GLU A 21 7.492 -3.583 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 21 10.070 -4.880 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.184 -3.502 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.345 -2.068 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.840 -3.098 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.498 -3.797 -4.613 1.00 0.00 H new ATOM 309 N LEU A 22 9.681 -2.043 -0.774 1.00 0.00 N ATOM 310 CA LEU A 22 10.254 -1.296 0.383 1.00 0.00 C ATOM 311 C LEU A 22 10.067 -2.126 1.660 1.00 0.00 C ATOM 312 O LEU A 22 10.895 -2.109 2.549 1.00 0.00 O ATOM 313 CB LEU A 22 9.573 0.088 0.509 1.00 0.00 C ATOM 314 CG LEU A 22 8.168 -0.027 1.128 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.277 0.009 2.659 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.304 1.144 0.652 1.00 0.00 C ATOM 0 H LEU A 22 8.893 -1.591 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 22 11.320 -1.130 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.190 0.743 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.501 0.550 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 22 7.711 -0.967 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.282 -0.072 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.892 -0.824 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.734 0.949 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.309 1.064 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.762 2.083 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.225 1.120 -0.435 1.00 0.00 H new ATOM 328 N ALA A 23 8.974 -2.850 1.752 1.00 0.00 N ATOM 329 CA ALA A 23 8.707 -3.687 2.966 1.00 0.00 C ATOM 330 C ALA A 23 9.922 -4.573 3.263 1.00 0.00 C ATOM 331 O ALA A 23 10.363 -4.676 4.392 1.00 0.00 O ATOM 332 CB ALA A 23 7.484 -4.571 2.715 1.00 0.00 C ATOM 0 H ALA A 23 8.252 -2.896 1.033 1.00 0.00 H new ATOM 0 HA ALA A 23 8.520 -3.034 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.288 -5.181 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.617 -3.943 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.674 -5.220 1.860 1.00 0.00 H new ATOM 338 N ASN A 24 10.476 -5.191 2.249 1.00 0.00 N ATOM 339 CA ASN A 24 11.676 -6.051 2.458 1.00 0.00 C ATOM 340 C ASN A 24 12.826 -5.167 2.945 1.00 0.00 C ATOM 341 O ASN A 24 13.637 -5.572 3.754 1.00 0.00 O ATOM 342 CB ASN A 24 12.062 -6.721 1.135 1.00 0.00 C ATOM 343 CG ASN A 24 11.530 -8.155 1.111 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.280 -9.091 0.912 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.257 -8.370 1.306 1.00 0.00 N ATOM 0 H ASN A 24 10.147 -5.135 1.285 1.00 0.00 H new ATOM 0 HA ASN A 24 11.462 -6.824 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.653 -6.157 0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.146 -6.723 1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.893 -9.323 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.627 -7.585 1.473 1.00 0.00 H new ATOM 352 N PHE A 25 12.884 -3.955 2.457 1.00 0.00 N ATOM 353 CA PHE A 25 13.963 -3.015 2.882 1.00 0.00 C ATOM 354 C PHE A 25 13.834 -2.716 4.375 1.00 0.00 C ATOM 355 O PHE A 25 14.799 -2.359 5.024 1.00 0.00 O ATOM 356 CB PHE A 25 13.834 -1.712 2.090 1.00 0.00 C ATOM 357 CG PHE A 25 15.026 -0.829 2.366 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.290 -1.191 1.886 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.867 0.352 3.100 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.396 -0.371 2.141 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.973 1.172 3.355 1.00 0.00 C ATOM 362 CZ PHE A 25 17.237 0.810 2.875 1.00 0.00 C ATOM 0 H PHE A 25 12.225 -3.574 1.778 1.00 0.00 H new ATOM 0 HA PHE A 25 14.935 -3.470 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.769 -1.928 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.915 -1.196 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.412 -2.102 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.891 0.631 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.372 -0.650 1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.851 2.083 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.090 1.442 3.071 1.00 0.00 H new ATOM 372 N GLU A 26 12.654 -2.851 4.927 1.00 0.00 N ATOM 373 CA GLU A 26 12.474 -2.570 6.382 1.00 0.00 C ATOM 374 C GLU A 26 12.969 -3.769 7.194 1.00 0.00 C ATOM 375 O GLU A 26 13.832 -3.639 8.041 1.00 0.00 O ATOM 376 CB GLU A 26 10.991 -2.309 6.701 1.00 0.00 C ATOM 377 CG GLU A 26 10.339 -1.426 5.618 1.00 0.00 C ATOM 378 CD GLU A 26 11.141 -0.130 5.411 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.934 0.206 6.276 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.946 0.503 4.386 1.00 0.00 O ATOM 0 H GLU A 26 11.810 -3.143 4.433 1.00 0.00 H new ATOM 0 HA GLU A 26 13.049 -1.682 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.458 -3.257 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.905 -1.822 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.282 -1.977 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.317 -1.183 5.908 1.00 0.00 H new ATOM 387 N LYS A 27 12.431 -4.935 6.939 1.00 0.00 N ATOM 388 CA LYS A 27 12.871 -6.147 7.693 1.00 0.00 C ATOM 389 C LYS A 27 14.334 -6.442 7.362 1.00 0.00 C ATOM 390 O LYS A 27 15.119 -6.775 8.230 1.00 0.00 O ATOM 391 CB LYS A 27 12.002 -7.342 7.296 1.00 0.00 C ATOM 392 CG LYS A 27 12.365 -8.551 8.164 1.00 0.00 C ATOM 393 CD LYS A 27 12.057 -9.839 7.399 1.00 0.00 C ATOM 394 CE LYS A 27 13.153 -10.092 6.362 1.00 0.00 C ATOM 395 NZ LYS A 27 12.683 -11.112 5.382 1.00 0.00 N ATOM 0 H LYS A 27 11.706 -5.099 6.241 1.00 0.00 H new ATOM 0 HA LYS A 27 12.768 -5.970 8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.948 -7.095 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.151 -7.580 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.422 -8.517 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.801 -8.525 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.995 -10.679 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.088 -9.759 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.402 -9.164 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.062 -10.437 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.427 -11.285 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.466 -11.999 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.827 -10.765 4.904 1.00 0.00 H new ATOM 409 N ASN A 28 14.712 -6.313 6.111 1.00 0.00 N ATOM 410 CA ASN A 28 16.132 -6.575 5.718 1.00 0.00 C ATOM 411 C ASN A 28 17.060 -5.643 6.508 1.00 0.00 C ATOM 412 O ASN A 28 18.208 -5.959 6.755 1.00 0.00 O ATOM 413 CB ASN A 28 16.306 -6.316 4.220 1.00 0.00 C ATOM 414 CG ASN A 28 15.625 -7.433 3.426 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.696 -8.054 3.904 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.051 -7.717 2.226 1.00 0.00 N ATOM 0 H ASN A 28 14.097 -6.037 5.346 1.00 0.00 H new ATOM 0 HA ASN A 28 16.383 -7.613 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.874 -5.351 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.366 -6.271 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.604 -8.460 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.831 -7.196 1.825 1.00 0.00 H new ATOM 423 N VAL A 29 16.557 -4.504 6.916 1.00 0.00 N ATOM 424 CA VAL A 29 17.385 -3.550 7.702 1.00 0.00 C ATOM 425 C VAL A 29 17.220 -3.888 9.192 1.00 0.00 C ATOM 426 O VAL A 29 16.330 -4.626 9.571 1.00 0.00 O ATOM 427 CB VAL A 29 16.916 -2.117 7.395 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.578 -1.109 8.345 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.302 -1.765 5.957 1.00 0.00 C ATOM 0 H VAL A 29 15.602 -4.196 6.735 1.00 0.00 H new ATOM 0 HA VAL A 29 18.440 -3.626 7.439 1.00 0.00 H new ATOM 0 HB VAL A 29 15.835 -2.068 7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.231 -0.103 8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.313 -1.351 9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.661 -1.156 8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.974 -0.751 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.384 -1.830 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.824 -2.463 5.270 1.00 0.00 H new ATOM 439 N SER A 30 18.086 -3.377 10.029 1.00 0.00 N ATOM 440 CA SER A 30 18.003 -3.691 11.487 1.00 0.00 C ATOM 441 C SER A 30 16.908 -2.861 12.169 1.00 0.00 C ATOM 442 O SER A 30 15.897 -3.389 12.592 1.00 0.00 O ATOM 443 CB SER A 30 19.349 -3.382 12.143 1.00 0.00 C ATOM 444 OG SER A 30 19.278 -3.692 13.529 1.00 0.00 O ATOM 0 H SER A 30 18.849 -2.754 9.765 1.00 0.00 H new ATOM 0 HA SER A 30 17.757 -4.747 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.140 -3.963 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.600 -2.330 12.006 1.00 0.00 H new ATOM 0 HG SER A 30 20.140 -3.497 13.952 1.00 0.00 H new ATOM 450 N GLN A 31 17.117 -1.576 12.305 1.00 0.00 N ATOM 451 CA GLN A 31 16.107 -0.715 12.992 1.00 0.00 C ATOM 452 C GLN A 31 14.964 -0.343 12.037 1.00 0.00 C ATOM 453 O GLN A 31 14.686 0.823 11.814 1.00 0.00 O ATOM 454 CB GLN A 31 16.795 0.557 13.495 1.00 0.00 C ATOM 455 CG GLN A 31 17.616 0.233 14.745 1.00 0.00 C ATOM 456 CD GLN A 31 16.674 -0.108 15.902 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.328 -1.350 16.099 1.00 0.00 O flip ATOM 458 NE2 GLN A 31 16.248 0.764 16.632 1.00 0.00 N flip ATOM 0 H GLN A 31 17.946 -1.085 11.969 1.00 0.00 H new ATOM 0 HA GLN A 31 15.683 -1.268 13.830 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.441 0.965 12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.051 1.320 13.723 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.284 -0.605 14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.243 1.084 15.012 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.519 1.735 16.478 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.620 0.525 17.399 1.00 0.00 H new ATOM 467 N ALA A 32 14.286 -1.320 11.485 1.00 0.00 N ATOM 468 CA ALA A 32 13.151 -1.013 10.565 1.00 0.00 C ATOM 469 C ALA A 32 12.115 -2.142 10.627 1.00 0.00 C ATOM 470 O ALA A 32 11.841 -2.805 9.642 1.00 0.00 O ATOM 471 CB ALA A 32 13.672 -0.855 9.136 1.00 0.00 C ATOM 0 H ALA A 32 14.470 -2.312 11.632 1.00 0.00 H new ATOM 0 HA ALA A 32 12.678 -0.081 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.840 -0.631 8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.395 -0.040 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.152 -1.781 8.819 1.00 0.00 H new ATOM 477 N ILE A 33 11.534 -2.357 11.780 1.00 0.00 N ATOM 478 CA ILE A 33 10.509 -3.433 11.922 1.00 0.00 C ATOM 479 C ILE A 33 9.123 -2.790 12.111 1.00 0.00 C ATOM 480 O ILE A 33 8.118 -3.355 11.740 1.00 0.00 O ATOM 481 CB ILE A 33 10.924 -4.368 13.101 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.064 -5.811 12.590 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.917 -4.350 14.263 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.101 -5.875 11.465 1.00 0.00 C ATOM 0 H ILE A 33 11.727 -1.831 12.632 1.00 0.00 H new ATOM 0 HA ILE A 33 10.449 -4.050 11.026 1.00 0.00 H new ATOM 0 HB ILE A 33 11.874 -3.992 13.481 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.363 -6.467 13.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.101 -6.171 12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.260 -5.019 15.052 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.834 -3.337 14.657 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.942 -4.681 13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.191 -6.902 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.785 -5.234 10.642 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.066 -5.534 11.840 1.00 0.00 H new ATOM 496 N HIS A 34 9.073 -1.616 12.680 1.00 0.00 N ATOM 497 CA HIS A 34 7.751 -0.929 12.882 1.00 0.00 C ATOM 498 C HIS A 34 7.130 -0.640 11.512 1.00 0.00 C ATOM 499 O HIS A 34 5.976 -0.945 11.260 1.00 0.00 O ATOM 500 CB HIS A 34 7.915 0.396 13.664 1.00 0.00 C ATOM 501 CG HIS A 34 9.203 1.095 13.294 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.387 0.846 13.969 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.515 2.009 12.317 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.346 1.591 13.394 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.869 2.321 12.383 1.00 0.00 N ATOM 0 H HIS A 34 9.885 -1.098 13.015 1.00 0.00 H new ATOM 0 HA HIS A 34 7.105 -1.585 13.465 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.070 1.052 13.455 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.903 0.193 14.735 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.815 2.422 11.606 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.378 1.598 13.711 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.386 2.968 11.787 1.00 0.00 H new ATOM 513 N LYS A 35 7.895 -0.066 10.624 1.00 0.00 N ATOM 514 CA LYS A 35 7.372 0.238 9.259 1.00 0.00 C ATOM 515 C LYS A 35 7.191 -1.070 8.483 1.00 0.00 C ATOM 516 O LYS A 35 6.376 -1.159 7.588 1.00 0.00 O ATOM 517 CB LYS A 35 8.352 1.152 8.512 1.00 0.00 C ATOM 518 CG LYS A 35 9.786 0.605 8.623 1.00 0.00 C ATOM 519 CD LYS A 35 10.681 1.623 9.342 1.00 0.00 C ATOM 520 CE LYS A 35 11.513 2.397 8.316 1.00 0.00 C ATOM 521 NZ LYS A 35 11.814 3.757 8.845 1.00 0.00 N ATOM 0 H LYS A 35 8.864 0.207 10.785 1.00 0.00 H new ATOM 0 HA LYS A 35 6.412 0.747 9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.064 1.225 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.307 2.159 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.783 -0.339 9.169 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.183 0.397 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.069 2.313 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.338 1.111 10.045 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.440 1.863 8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.969 2.473 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.379 4.283 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.924 4.265 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.349 3.674 9.733 1.00 0.00 H new ATOM 535 N TYR A 36 7.942 -2.093 8.827 1.00 0.00 N ATOM 536 CA TYR A 36 7.819 -3.411 8.120 1.00 0.00 C ATOM 537 C TYR A 36 6.348 -3.853 8.087 1.00 0.00 C ATOM 538 O TYR A 36 5.773 -4.041 7.032 1.00 0.00 O ATOM 539 CB TYR A 36 8.663 -4.451 8.870 1.00 0.00 C ATOM 540 CG TYR A 36 8.606 -5.785 8.163 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.885 -5.869 6.796 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.276 -6.938 8.883 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.834 -7.107 6.147 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.226 -8.177 8.237 1.00 0.00 C ATOM 545 CZ TYR A 36 8.505 -8.262 6.867 1.00 0.00 C ATOM 546 OH TYR A 36 8.456 -9.484 6.227 1.00 0.00 O ATOM 0 H TYR A 36 8.639 -2.071 9.572 1.00 0.00 H new ATOM 0 HA TYR A 36 8.175 -3.316 7.094 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.697 -4.111 8.936 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.297 -4.558 9.891 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.140 -4.978 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.060 -6.871 9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 36 9.048 -7.172 5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.973 -9.067 8.794 1.00 0.00 H new ATOM 0 HH TYR A 36 8.214 -10.181 6.872 1.00 0.00 H new ATOM 556 N ASN A 37 5.739 -4.006 9.235 1.00 0.00 N ATOM 557 CA ASN A 37 4.305 -4.419 9.284 1.00 0.00 C ATOM 558 C ASN A 37 3.448 -3.359 8.584 1.00 0.00 C ATOM 559 O ASN A 37 2.398 -3.657 8.046 1.00 0.00 O ATOM 560 CB ASN A 37 3.861 -4.552 10.742 1.00 0.00 C ATOM 561 CG ASN A 37 4.378 -5.874 11.314 1.00 0.00 C ATOM 562 OD1 ASN A 37 5.536 -5.986 11.663 1.00 0.00 O ATOM 563 ND2 ASN A 37 3.562 -6.886 11.428 1.00 0.00 N ATOM 0 H ASN A 37 6.176 -3.862 10.145 1.00 0.00 H new ATOM 0 HA ASN A 37 4.184 -5.378 8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.243 -3.716 11.327 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.774 -4.516 10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.897 -7.771 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.589 -6.792 11.135 1.00 0.00 H new ATOM 570 N ALA A 38 3.895 -2.124 8.578 1.00 0.00 N ATOM 571 CA ALA A 38 3.118 -1.035 7.906 1.00 0.00 C ATOM 572 C ALA A 38 2.876 -1.396 6.434 1.00 0.00 C ATOM 573 O ALA A 38 1.754 -1.606 6.012 1.00 0.00 O ATOM 574 CB ALA A 38 3.917 0.269 7.972 1.00 0.00 C ATOM 0 H ALA A 38 4.768 -1.824 9.012 1.00 0.00 H new ATOM 0 HA ALA A 38 2.160 -0.915 8.412 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.355 1.065 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.093 0.536 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.873 0.136 7.465 1.00 0.00 H new ATOM 580 N TYR A 39 3.922 -1.461 5.656 1.00 0.00 N ATOM 581 CA TYR A 39 3.770 -1.793 4.208 1.00 0.00 C ATOM 582 C TYR A 39 3.391 -3.270 4.024 1.00 0.00 C ATOM 583 O TYR A 39 3.066 -3.691 2.930 1.00 0.00 O ATOM 584 CB TYR A 39 5.088 -1.502 3.484 1.00 0.00 C ATOM 585 CG TYR A 39 5.454 -0.046 3.671 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.195 0.351 4.791 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.052 0.906 2.728 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.531 1.698 4.969 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.390 2.252 2.904 1.00 0.00 C ATOM 590 CZ TYR A 39 6.128 2.649 4.025 1.00 0.00 C ATOM 591 OH TYR A 39 6.460 3.977 4.200 1.00 0.00 O ATOM 0 H TYR A 39 4.881 -1.298 5.962 1.00 0.00 H new ATOM 0 HA TYR A 39 2.972 -1.181 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.880 -2.140 3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.991 -1.730 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.508 -0.383 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.480 0.602 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.101 2.003 5.834 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.081 2.986 2.174 1.00 0.00 H new ATOM 0 HH TYR A 39 7.307 4.041 4.689 1.00 0.00 H new ATOM 601 N ARG A 40 3.425 -4.061 5.074 1.00 0.00 N ATOM 602 CA ARG A 40 3.059 -5.503 4.936 1.00 0.00 C ATOM 603 C ARG A 40 1.534 -5.650 5.025 1.00 0.00 C ATOM 604 O ARG A 40 0.908 -6.219 4.152 1.00 0.00 O ATOM 605 CB ARG A 40 3.735 -6.309 6.058 1.00 0.00 C ATOM 606 CG ARG A 40 3.328 -7.789 5.981 1.00 0.00 C ATOM 607 CD ARG A 40 3.766 -8.389 4.640 1.00 0.00 C ATOM 608 NE ARG A 40 5.254 -8.313 4.518 1.00 0.00 N ATOM 609 CZ ARG A 40 5.864 -8.580 3.379 1.00 0.00 C ATOM 610 NH1 ARG A 40 5.192 -8.913 2.300 1.00 0.00 N ATOM 611 NH2 ARG A 40 7.165 -8.509 3.321 1.00 0.00 N ATOM 0 H ARG A 40 3.690 -3.768 6.015 1.00 0.00 H new ATOM 0 HA ARG A 40 3.398 -5.881 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.818 -6.219 5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.454 -5.899 7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.784 -8.342 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.248 -7.883 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.438 -9.426 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.296 -7.850 3.818 1.00 0.00 H new ATOM 0 HE ARG A 40 5.809 -8.049 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.174 -8.970 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.688 -9.114 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.699 -8.249 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.648 -8.713 2.446 1.00 0.00 H new ATOM 625 N LYS A 41 0.938 -5.145 6.077 1.00 0.00 N ATOM 626 CA LYS A 41 -0.545 -5.257 6.230 1.00 0.00 C ATOM 627 C LYS A 41 -1.243 -4.542 5.068 1.00 0.00 C ATOM 628 O LYS A 41 -2.335 -4.907 4.672 1.00 0.00 O ATOM 629 CB LYS A 41 -0.975 -4.623 7.558 1.00 0.00 C ATOM 630 CG LYS A 41 -0.521 -3.161 7.611 1.00 0.00 C ATOM 631 CD LYS A 41 -0.289 -2.750 9.066 1.00 0.00 C ATOM 632 CE LYS A 41 -0.360 -1.226 9.184 1.00 0.00 C ATOM 633 NZ LYS A 41 0.294 -0.795 10.452 1.00 0.00 N ATOM 0 H LYS A 41 1.415 -4.660 6.837 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.827 -6.310 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.058 -4.680 7.664 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.543 -5.177 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.396 -3.033 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.275 -2.518 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.039 -3.210 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.684 -3.107 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.134 -0.761 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.399 -0.897 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.246 0.241 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.196 -1.228 11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.289 -1.096 10.449 1.00 0.00 H new ATOM 647 N ALA A 42 -0.620 -3.529 4.521 1.00 0.00 N ATOM 648 CA ALA A 42 -1.242 -2.786 3.385 1.00 0.00 C ATOM 649 C ALA A 42 -1.032 -3.567 2.085 1.00 0.00 C ATOM 650 O ALA A 42 -1.951 -3.756 1.310 1.00 0.00 O ATOM 651 CB ALA A 42 -0.593 -1.405 3.260 1.00 0.00 C ATOM 0 H ALA A 42 0.294 -3.184 4.813 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.310 -2.671 3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.047 -0.863 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.744 -0.847 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.475 -1.520 3.076 1.00 0.00 H new ATOM 657 N ALA A 43 0.173 -4.020 1.844 1.00 0.00 N ATOM 658 CA ALA A 43 0.454 -4.790 0.595 1.00 0.00 C ATOM 659 C ALA A 43 -0.389 -6.070 0.571 1.00 0.00 C ATOM 660 O ALA A 43 -0.693 -6.598 -0.480 1.00 0.00 O ATOM 661 CB ALA A 43 1.937 -5.161 0.547 1.00 0.00 C ATOM 0 H ALA A 43 0.975 -3.889 2.460 1.00 0.00 H new ATOM 0 HA ALA A 43 0.201 -4.175 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.142 -5.723 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.540 -4.253 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.187 -5.772 1.414 1.00 0.00 H new ATOM 667 N SER A 44 -0.762 -6.574 1.720 1.00 0.00 N ATOM 668 CA SER A 44 -1.578 -7.823 1.766 1.00 0.00 C ATOM 669 C SER A 44 -3.035 -7.509 1.414 1.00 0.00 C ATOM 670 O SER A 44 -3.660 -8.215 0.644 1.00 0.00 O ATOM 671 CB SER A 44 -1.514 -8.420 3.172 1.00 0.00 C ATOM 672 OG SER A 44 -0.157 -8.680 3.510 1.00 0.00 O ATOM 0 H SER A 44 -0.536 -6.173 2.630 1.00 0.00 H new ATOM 0 HA SER A 44 -1.181 -8.536 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.955 -7.731 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.095 -9.341 3.215 1.00 0.00 H new ATOM 0 HG SER A 44 0.283 -7.842 3.765 1.00 0.00 H new ATOM 678 N VAL A 45 -3.582 -6.462 1.978 1.00 0.00 N ATOM 679 CA VAL A 45 -5.003 -6.105 1.688 1.00 0.00 C ATOM 680 C VAL A 45 -5.113 -5.469 0.296 1.00 0.00 C ATOM 681 O VAL A 45 -6.006 -5.786 -0.466 1.00 0.00 O ATOM 682 CB VAL A 45 -5.519 -5.130 2.761 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.714 -3.825 2.729 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.999 -4.818 2.504 1.00 0.00 C ATOM 0 H VAL A 45 -3.104 -5.838 2.628 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.611 -7.009 1.706 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.404 -5.595 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.091 -3.146 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.663 -4.041 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.815 -3.359 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.363 -4.127 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.109 -4.364 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.578 -5.741 2.545 1.00 0.00 H new ATOM 694 N ILE A 46 -4.219 -4.570 -0.034 1.00 0.00 N ATOM 695 CA ILE A 46 -4.276 -3.905 -1.370 1.00 0.00 C ATOM 696 C ILE A 46 -3.968 -4.923 -2.472 1.00 0.00 C ATOM 697 O ILE A 46 -4.744 -5.103 -3.392 1.00 0.00 O ATOM 698 CB ILE A 46 -3.254 -2.763 -1.412 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.536 -1.791 -0.262 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.367 -2.016 -2.744 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.434 -0.730 -0.202 1.00 0.00 C ATOM 0 H ILE A 46 -3.451 -4.268 0.566 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.276 -3.502 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.249 -3.173 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.506 -1.314 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.584 -2.333 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.639 -1.205 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.171 -2.705 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.371 -1.605 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.637 -0.040 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.471 -1.214 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.408 -0.179 -1.142 1.00 0.00 H new ATOM 713 N ALA A 47 -2.842 -5.588 -2.388 1.00 0.00 N ATOM 714 CA ALA A 47 -2.481 -6.593 -3.434 1.00 0.00 C ATOM 715 C ALA A 47 -3.524 -7.719 -3.468 1.00 0.00 C ATOM 716 O ALA A 47 -3.639 -8.430 -4.449 1.00 0.00 O ATOM 717 CB ALA A 47 -1.106 -7.186 -3.119 1.00 0.00 C ATOM 0 H ALA A 47 -2.158 -5.478 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.456 -6.100 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.842 -7.919 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.361 -6.391 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.134 -7.671 -2.143 1.00 0.00 H new ATOM 723 N LYS A 48 -4.283 -7.887 -2.412 1.00 0.00 N ATOM 724 CA LYS A 48 -5.314 -8.968 -2.391 1.00 0.00 C ATOM 725 C LYS A 48 -6.708 -8.345 -2.295 1.00 0.00 C ATOM 726 O LYS A 48 -7.628 -8.944 -1.770 1.00 0.00 O ATOM 727 CB LYS A 48 -5.080 -9.871 -1.180 1.00 0.00 C ATOM 728 CG LYS A 48 -5.761 -11.223 -1.410 1.00 0.00 C ATOM 729 CD LYS A 48 -6.280 -11.767 -0.078 1.00 0.00 C ATOM 730 CE LYS A 48 -5.108 -12.310 0.743 1.00 0.00 C ATOM 731 NZ LYS A 48 -5.618 -12.867 2.028 1.00 0.00 N ATOM 0 H LYS A 48 -4.232 -7.322 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.240 -9.556 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.011 -10.013 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.477 -9.401 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.585 -11.112 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.056 -11.927 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.791 -10.979 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.010 -12.556 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.584 -13.083 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.388 -11.515 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.822 -13.236 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.099 -12.117 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.289 -13.637 1.831 1.00 0.00 H new ATOM 745 N TYR A 49 -6.867 -7.147 -2.796 1.00 0.00 N ATOM 746 CA TYR A 49 -8.196 -6.474 -2.737 1.00 0.00 C ATOM 747 C TYR A 49 -9.001 -6.837 -3.999 1.00 0.00 C ATOM 748 O TYR A 49 -8.434 -6.921 -5.070 1.00 0.00 O ATOM 749 CB TYR A 49 -7.980 -4.954 -2.673 1.00 0.00 C ATOM 750 CG TYR A 49 -9.151 -4.273 -1.993 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.664 -4.777 -0.789 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.718 -3.127 -2.564 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.740 -4.139 -0.163 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.793 -2.489 -1.936 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.305 -2.994 -0.736 1.00 0.00 C ATOM 756 OH TYR A 49 -12.365 -2.364 -0.118 1.00 0.00 O ATOM 0 H TYR A 49 -6.129 -6.605 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.746 -6.800 -1.854 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.061 -4.735 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.857 -4.557 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.228 -5.659 -0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.325 -2.735 -3.490 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.135 -4.530 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.228 -1.605 -2.378 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.636 -1.585 -0.647 1.00 0.00 H new ATOM 766 N PRO A 50 -10.300 -7.042 -3.854 1.00 0.00 N ATOM 767 CA PRO A 50 -11.201 -7.398 -4.994 1.00 0.00 C ATOM 768 C PRO A 50 -11.693 -6.141 -5.718 1.00 0.00 C ATOM 769 O PRO A 50 -12.561 -6.217 -6.571 1.00 0.00 O ATOM 770 CB PRO A 50 -12.361 -8.114 -4.317 1.00 0.00 C ATOM 771 CG PRO A 50 -12.407 -7.640 -2.875 1.00 0.00 C ATOM 772 CD PRO A 50 -11.077 -6.950 -2.566 1.00 0.00 C ATOM 0 HA PRO A 50 -10.705 -8.005 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.299 -7.890 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.224 -9.194 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.238 -6.951 -2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.566 -8.482 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.227 -5.913 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.552 -7.446 -1.749 1.00 0.00 H new ATOM 780 N HIS A 51 -11.162 -4.986 -5.389 1.00 0.00 N ATOM 781 CA HIS A 51 -11.623 -3.735 -6.065 1.00 0.00 C ATOM 782 C HIS A 51 -10.450 -2.762 -6.195 1.00 0.00 C ATOM 783 O HIS A 51 -9.365 -3.020 -5.710 1.00 0.00 O ATOM 784 CB HIS A 51 -12.749 -3.092 -5.242 1.00 0.00 C ATOM 785 CG HIS A 51 -13.758 -4.145 -4.858 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.629 -4.707 -5.778 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.020 -4.771 -3.664 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.364 -5.630 -5.129 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.034 -5.706 -3.837 1.00 0.00 N ATOM 0 H HIS A 51 -10.434 -4.858 -4.686 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.000 -3.975 -7.059 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.338 -2.624 -4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.232 -2.304 -5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.515 -4.568 -2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.127 -6.235 -5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.439 -6.319 -3.129 1.00 0.00 H new ATOM 797 N LYS A 52 -10.660 -1.651 -6.852 1.00 0.00 N ATOM 798 CA LYS A 52 -9.558 -0.657 -7.024 1.00 0.00 C ATOM 799 C LYS A 52 -9.736 0.486 -6.023 1.00 0.00 C ATOM 800 O LYS A 52 -10.837 0.942 -5.777 1.00 0.00 O ATOM 801 CB LYS A 52 -9.583 -0.099 -8.450 1.00 0.00 C ATOM 802 CG LYS A 52 -10.993 0.400 -8.790 1.00 0.00 C ATOM 803 CD LYS A 52 -11.725 -0.654 -9.624 1.00 0.00 C ATOM 804 CE LYS A 52 -13.231 -0.392 -9.571 1.00 0.00 C ATOM 805 NZ LYS A 52 -13.869 -0.912 -10.813 1.00 0.00 N ATOM 0 H LYS A 52 -11.549 -1.388 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.601 -1.148 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.867 0.717 -8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.280 -0.871 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.548 0.603 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.934 1.338 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.376 -0.623 -10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.505 -1.651 -9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.665 -0.876 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.422 0.676 -9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.893 -0.734 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.462 -0.430 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.698 -1.935 -10.889 1.00 0.00 H new ATOM 819 N ILE A 53 -8.657 0.950 -5.447 1.00 0.00 N ATOM 820 CA ILE A 53 -8.746 2.067 -4.461 1.00 0.00 C ATOM 821 C ILE A 53 -8.916 3.392 -5.207 1.00 0.00 C ATOM 822 O ILE A 53 -7.997 3.880 -5.837 1.00 0.00 O ATOM 823 CB ILE A 53 -7.465 2.110 -3.625 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.219 0.735 -2.998 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.612 3.153 -2.518 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.859 0.728 -2.299 1.00 0.00 C ATOM 0 H ILE A 53 -7.714 0.601 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.602 1.908 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.624 2.375 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.008 0.503 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.249 -0.037 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.699 3.183 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.788 4.133 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.454 2.888 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.684 -0.251 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.075 0.941 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.847 1.490 -1.519 1.00 0.00 H new ATOM 838 N LYS A 54 -10.088 3.972 -5.144 1.00 0.00 N ATOM 839 CA LYS A 54 -10.329 5.264 -5.852 1.00 0.00 C ATOM 840 C LYS A 54 -9.547 6.389 -5.162 1.00 0.00 C ATOM 841 O LYS A 54 -8.985 7.250 -5.810 1.00 0.00 O ATOM 842 CB LYS A 54 -11.829 5.589 -5.840 1.00 0.00 C ATOM 843 CG LYS A 54 -12.336 5.712 -4.398 1.00 0.00 C ATOM 844 CD LYS A 54 -13.836 5.414 -4.356 1.00 0.00 C ATOM 845 CE LYS A 54 -14.617 6.673 -4.735 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.938 6.284 -5.306 1.00 0.00 N ATOM 0 H LYS A 54 -10.890 3.605 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.990 5.176 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.010 6.520 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.381 4.807 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.799 5.018 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.143 6.715 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.076 4.603 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.124 5.081 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.759 7.304 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.053 7.259 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.470 7.139 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.791 5.699 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.475 5.742 -4.600 1.00 0.00 H new ATOM 860 N SER A 55 -9.514 6.386 -3.853 1.00 0.00 N ATOM 861 CA SER A 55 -8.776 7.452 -3.116 1.00 0.00 C ATOM 862 C SER A 55 -8.218 6.882 -1.810 1.00 0.00 C ATOM 863 O SER A 55 -8.399 5.719 -1.504 1.00 0.00 O ATOM 864 CB SER A 55 -9.728 8.607 -2.801 1.00 0.00 C ATOM 865 OG SER A 55 -10.326 9.065 -4.006 1.00 0.00 O ATOM 0 H SER A 55 -9.968 5.689 -3.263 1.00 0.00 H new ATOM 0 HA SER A 55 -7.954 7.815 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.497 8.279 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.185 9.420 -2.319 1.00 0.00 H new ATOM 0 HG SER A 55 -10.938 9.804 -3.807 1.00 0.00 H new ATOM 871 N GLY A 56 -7.541 7.697 -1.040 1.00 0.00 N ATOM 872 CA GLY A 56 -6.963 7.215 0.251 1.00 0.00 C ATOM 873 C GLY A 56 -8.079 6.691 1.162 1.00 0.00 C ATOM 874 O GLY A 56 -7.850 5.849 2.009 1.00 0.00 O ATOM 0 H GLY A 56 -7.363 8.679 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.236 6.425 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.430 8.027 0.746 1.00 0.00 H new ATOM 878 N ALA A 57 -9.282 7.182 0.993 1.00 0.00 N ATOM 879 CA ALA A 57 -10.417 6.714 1.846 1.00 0.00 C ATOM 880 C ALA A 57 -10.634 5.214 1.629 1.00 0.00 C ATOM 881 O ALA A 57 -10.808 4.462 2.570 1.00 0.00 O ATOM 882 CB ALA A 57 -11.689 7.473 1.464 1.00 0.00 C ATOM 0 H ALA A 57 -9.527 7.888 0.299 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.184 6.900 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.517 7.132 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.535 8.541 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.922 7.288 0.416 1.00 0.00 H new ATOM 888 N GLU A 58 -10.621 4.777 0.396 1.00 0.00 N ATOM 889 CA GLU A 58 -10.821 3.327 0.106 1.00 0.00 C ATOM 890 C GLU A 58 -9.660 2.517 0.694 1.00 0.00 C ATOM 891 O GLU A 58 -9.800 1.344 0.985 1.00 0.00 O ATOM 892 CB GLU A 58 -10.878 3.112 -1.409 1.00 0.00 C ATOM 893 CG GLU A 58 -12.338 3.118 -1.871 1.00 0.00 C ATOM 894 CD GLU A 58 -12.459 2.355 -3.192 1.00 0.00 C ATOM 895 OE1 GLU A 58 -11.731 1.392 -3.367 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.277 2.749 -4.007 1.00 0.00 O ATOM 0 H GLU A 58 -10.480 5.365 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.756 2.995 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.321 3.897 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.407 2.165 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.972 2.657 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.686 4.143 -1.998 1.00 0.00 H new ATOM 903 N ALA A 59 -8.515 3.133 0.869 1.00 0.00 N ATOM 904 CA ALA A 59 -7.346 2.402 1.438 1.00 0.00 C ATOM 905 C ALA A 59 -7.422 2.416 2.968 1.00 0.00 C ATOM 906 O ALA A 59 -6.921 1.525 3.629 1.00 0.00 O ATOM 907 CB ALA A 59 -6.052 3.083 0.987 1.00 0.00 C ATOM 0 H ALA A 59 -8.343 4.112 0.641 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.359 1.371 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.197 2.550 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.994 3.070 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.042 4.115 1.339 1.00 0.00 H new ATOM 913 N LYS A 60 -8.045 3.421 3.534 1.00 0.00 N ATOM 914 CA LYS A 60 -8.156 3.499 5.022 1.00 0.00 C ATOM 915 C LYS A 60 -9.217 2.509 5.509 1.00 0.00 C ATOM 916 O LYS A 60 -9.045 1.850 6.517 1.00 0.00 O ATOM 917 CB LYS A 60 -8.558 4.918 5.428 1.00 0.00 C ATOM 918 CG LYS A 60 -7.301 5.748 5.694 1.00 0.00 C ATOM 919 CD LYS A 60 -7.641 6.900 6.642 1.00 0.00 C ATOM 920 CE LYS A 60 -8.085 8.118 5.828 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.561 8.072 5.631 1.00 0.00 N ATOM 0 H LYS A 60 -8.482 4.191 3.028 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.195 3.250 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.151 5.379 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.183 4.889 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.524 5.121 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.905 6.139 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.433 6.599 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.772 7.153 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.805 9.036 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.579 8.128 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.779 8.160 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.931 7.168 5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.005 8.856 6.150 1.00 0.00 H new ATOM 935 N LYS A 61 -10.312 2.401 4.800 1.00 0.00 N ATOM 936 CA LYS A 61 -11.394 1.457 5.212 1.00 0.00 C ATOM 937 C LYS A 61 -10.853 0.021 5.250 1.00 0.00 C ATOM 938 O LYS A 61 -11.403 -0.838 5.914 1.00 0.00 O ATOM 939 CB LYS A 61 -12.550 1.539 4.209 1.00 0.00 C ATOM 940 CG LYS A 61 -12.040 1.213 2.801 1.00 0.00 C ATOM 941 CD LYS A 61 -13.216 1.185 1.824 1.00 0.00 C ATOM 942 CE LYS A 61 -13.904 -0.179 1.891 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.263 -0.081 1.288 1.00 0.00 N ATOM 0 H LYS A 61 -10.504 2.929 3.949 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.748 1.731 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.338 0.841 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.987 2.537 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.310 1.958 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.531 0.249 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.926 1.974 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.865 1.377 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.311 -0.923 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.977 -0.511 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.731 -1.009 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.827 0.617 1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.182 0.217 0.295 1.00 0.00 H new ATOM 957 N LEU A 62 -9.786 -0.247 4.535 1.00 0.00 N ATOM 958 CA LEU A 62 -9.213 -1.626 4.518 1.00 0.00 C ATOM 959 C LEU A 62 -8.820 -2.044 5.950 1.00 0.00 C ATOM 960 O LEU A 62 -8.282 -1.240 6.687 1.00 0.00 O ATOM 961 CB LEU A 62 -7.967 -1.648 3.623 1.00 0.00 C ATOM 962 CG LEU A 62 -8.329 -1.187 2.206 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.065 -1.151 1.345 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.334 -2.159 1.585 1.00 0.00 C ATOM 0 H LEU A 62 -9.288 0.434 3.962 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.957 -2.321 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.198 -0.998 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.550 -2.655 3.591 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.771 -0.192 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.320 -0.823 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.347 -0.456 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.625 -2.148 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.588 -1.826 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.895 -3.156 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.237 -2.188 2.195 1.00 0.00 H new ATOM 976 N PRO A 63 -9.089 -3.287 6.314 1.00 0.00 N ATOM 977 CA PRO A 63 -8.763 -3.827 7.673 1.00 0.00 C ATOM 978 C PRO A 63 -7.282 -4.195 7.753 1.00 0.00 C ATOM 979 O PRO A 63 -6.823 -5.112 7.097 1.00 0.00 O ATOM 980 CB PRO A 63 -9.644 -5.062 7.795 1.00 0.00 C ATOM 981 CG PRO A 63 -9.960 -5.527 6.388 1.00 0.00 C ATOM 982 CD PRO A 63 -9.743 -4.338 5.449 1.00 0.00 C ATOM 0 HA PRO A 63 -8.942 -3.111 8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.133 -5.846 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.560 -4.829 8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.316 -6.360 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.988 -5.883 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.108 -4.609 4.606 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.686 -3.981 5.036 1.00 0.00 H new ATOM 990 N GLY A 64 -6.532 -3.474 8.544 1.00 0.00 N ATOM 991 CA GLY A 64 -5.074 -3.757 8.670 1.00 0.00 C ATOM 992 C GLY A 64 -4.283 -2.488 8.345 1.00 0.00 C ATOM 993 O GLY A 64 -3.192 -2.284 8.844 1.00 0.00 O ATOM 0 H GLY A 64 -6.870 -2.697 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.843 -4.094 9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.788 -4.561 7.992 1.00 0.00 H new ATOM 997 N VAL A 65 -4.829 -1.634 7.514 1.00 0.00 N ATOM 998 CA VAL A 65 -4.114 -0.374 7.154 1.00 0.00 C ATOM 999 C VAL A 65 -4.498 0.727 8.143 1.00 0.00 C ATOM 1000 O VAL A 65 -5.648 0.860 8.519 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.508 0.051 5.738 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.660 1.251 5.311 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.269 -1.109 4.770 1.00 0.00 C ATOM 0 H VAL A 65 -5.739 -1.757 7.070 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.038 -0.542 7.195 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.563 0.326 5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.940 1.554 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.829 2.079 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.606 0.976 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.550 -0.805 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.214 -1.384 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.872 -1.965 5.072 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.543 1.514 8.567 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.843 2.610 9.536 1.00 0.00 C ATOM 1015 C GLY A 66 -3.855 3.953 8.804 1.00 0.00 C ATOM 1016 O GLY A 66 -4.355 4.063 7.700 1.00 0.00 O ATOM 0 H GLY A 66 -2.566 1.444 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.808 2.435 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.095 2.623 10.329 1.00 0.00 H new ATOM 1020 N THR A 67 -3.308 4.974 9.413 1.00 0.00 N ATOM 1021 CA THR A 67 -3.282 6.317 8.761 1.00 0.00 C ATOM 1022 C THR A 67 -1.912 6.554 8.122 1.00 0.00 C ATOM 1023 O THR A 67 -1.790 7.281 7.154 1.00 0.00 O ATOM 1024 CB THR A 67 -3.548 7.399 9.812 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.379 8.680 9.221 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.569 7.238 10.977 1.00 0.00 C ATOM 0 H THR A 67 -2.877 4.935 10.337 1.00 0.00 H new ATOM 0 HA THR A 67 -4.052 6.359 7.990 1.00 0.00 H new ATOM 0 HB THR A 67 -4.568 7.301 10.185 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.550 9.374 9.891 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.761 8.009 11.723 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.700 6.255 11.429 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.547 7.335 10.610 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.881 5.945 8.653 1.00 0.00 N ATOM 1035 CA LYS A 68 0.484 6.133 8.079 1.00 0.00 C ATOM 1036 C LYS A 68 0.529 5.539 6.670 1.00 0.00 C ATOM 1037 O LYS A 68 0.694 6.248 5.694 1.00 0.00 O ATOM 1038 CB LYS A 68 1.513 5.426 8.963 1.00 0.00 C ATOM 1039 CG LYS A 68 1.999 6.386 10.049 1.00 0.00 C ATOM 1040 CD LYS A 68 1.140 6.218 11.305 1.00 0.00 C ATOM 1041 CE LYS A 68 1.777 5.174 12.223 1.00 0.00 C ATOM 1042 NZ LYS A 68 1.385 5.449 13.635 1.00 0.00 N ATOM 0 H LYS A 68 -0.928 5.325 9.461 1.00 0.00 H new ATOM 0 HA LYS A 68 0.715 7.197 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.070 4.540 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.355 5.087 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.045 6.187 10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.942 7.414 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.050 7.171 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.132 5.909 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.455 4.174 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.862 5.200 12.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.818 4.739 14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.713 6.397 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.350 5.403 13.723 1.00 0.00 H new ATOM 1056 N ILE A 69 0.382 4.244 6.560 1.00 0.00 N ATOM 1057 CA ILE A 69 0.414 3.590 5.219 1.00 0.00 C ATOM 1058 C ILE A 69 -0.736 4.119 4.359 1.00 0.00 C ATOM 1059 O ILE A 69 -0.569 4.389 3.184 1.00 0.00 O ATOM 1060 CB ILE A 69 0.270 2.075 5.400 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.391 1.562 6.317 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.352 1.372 4.039 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.767 1.841 5.693 1.00 0.00 C ATOM 0 H ILE A 69 0.241 3.609 7.346 1.00 0.00 H new ATOM 0 HA ILE A 69 1.359 3.813 4.723 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.698 1.858 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.322 2.046 7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.271 0.492 6.484 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.249 0.296 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.449 1.733 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.315 1.587 3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.549 1.471 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.839 1.336 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.891 2.914 5.550 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.901 4.266 4.936 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.072 4.776 4.159 1.00 0.00 C ATOM 1077 C ALA A 70 -2.758 6.170 3.609 1.00 0.00 C ATOM 1078 O ALA A 70 -3.120 6.502 2.496 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.298 4.849 5.071 1.00 0.00 C ATOM 0 H ALA A 70 -2.093 4.054 5.915 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.277 4.099 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.152 5.221 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.524 3.855 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.093 5.523 5.903 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.084 6.986 4.382 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.737 8.357 3.914 1.00 0.00 C ATOM 1087 C GLU A 71 -0.864 8.264 2.660 1.00 0.00 C ATOM 1088 O GLU A 71 -0.967 9.076 1.759 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.972 9.095 5.018 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.940 9.967 5.821 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.213 11.220 6.312 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.326 11.080 7.138 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.555 12.297 5.853 1.00 0.00 O ATOM 0 H GLU A 71 -1.759 6.757 5.321 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.651 8.903 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.482 8.378 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.188 9.713 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.792 10.248 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.333 9.406 6.669 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.007 7.276 2.599 1.00 0.00 N ATOM 1101 CA LYS A 72 0.877 7.115 1.408 1.00 0.00 C ATOM 1102 C LYS A 72 0.034 6.709 0.197 1.00 0.00 C ATOM 1103 O LYS A 72 0.370 7.012 -0.931 1.00 0.00 O ATOM 1104 CB LYS A 72 1.919 6.030 1.690 1.00 0.00 C ATOM 1105 CG LYS A 72 3.150 6.265 0.813 1.00 0.00 C ATOM 1106 CD LYS A 72 4.297 5.371 1.291 1.00 0.00 C ATOM 1107 CE LYS A 72 5.631 6.077 1.042 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.748 5.198 1.491 1.00 0.00 N ATOM 0 H LYS A 72 0.118 6.572 3.327 1.00 0.00 H new ATOM 0 HA LYS A 72 1.381 8.059 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.201 6.046 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.498 5.045 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.914 6.046 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.448 7.312 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.182 5.151 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.274 4.418 0.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.740 6.309 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.660 7.024 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.629 5.749 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.534 4.819 2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.862 4.411 0.820 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.062 6.027 0.425 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.935 5.601 -0.708 1.00 0.00 C ATOM 1124 C ILE A 73 -2.485 6.844 -1.413 1.00 0.00 C ATOM 1125 O ILE A 73 -2.413 6.966 -2.620 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.097 4.755 -0.172 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.550 3.565 0.638 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.942 4.235 -1.340 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.657 2.683 -0.244 1.00 0.00 C ATOM 0 H ILE A 73 -1.389 5.747 1.350 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.356 5.006 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.718 5.375 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.981 3.930 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.377 2.975 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.766 3.635 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.340 5.078 -1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.321 3.622 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.278 1.846 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.238 2.303 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.820 3.272 -0.618 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.027 7.772 -0.663 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.582 9.020 -1.273 1.00 0.00 C ATOM 1143 C ASP A 74 -2.496 9.719 -2.097 1.00 0.00 C ATOM 1144 O ASP A 74 -2.750 10.214 -3.180 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.062 9.960 -0.163 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.084 10.945 -0.733 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.695 11.768 -1.546 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.239 10.859 -0.349 1.00 0.00 O ATOM 0 H ASP A 74 -3.109 7.718 0.352 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.419 8.763 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.509 9.384 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.216 10.502 0.260 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.286 9.748 -1.596 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.173 10.397 -2.351 1.00 0.00 C ATOM 1155 C GLU A 75 0.049 9.641 -3.665 1.00 0.00 C ATOM 1156 O GLU A 75 0.478 10.207 -4.651 1.00 0.00 O ATOM 1157 CB GLU A 75 1.107 10.353 -1.514 1.00 0.00 C ATOM 1158 CG GLU A 75 2.008 11.529 -1.896 1.00 0.00 C ATOM 1159 CD GLU A 75 1.672 12.736 -1.017 1.00 0.00 C ATOM 1160 OE1 GLU A 75 0.633 13.335 -1.239 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.460 13.040 -0.136 1.00 0.00 O ATOM 0 H GLU A 75 -1.022 9.349 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.429 11.435 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.862 10.399 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.630 9.411 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.055 11.254 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.869 11.781 -2.947 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.249 8.366 -3.680 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.071 7.559 -4.921 1.00 0.00 C ATOM 1170 C PHE A 76 -1.117 7.978 -5.949 1.00 0.00 C ATOM 1171 O PHE A 76 -0.806 8.268 -7.090 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.264 6.073 -4.585 1.00 0.00 C ATOM 1173 CG PHE A 76 1.052 5.351 -4.691 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.493 4.890 -5.934 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.825 5.143 -3.546 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.717 4.218 -6.034 1.00 0.00 C ATOM 1177 CE2 PHE A 76 3.050 4.471 -3.644 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.496 4.008 -4.888 1.00 0.00 C ATOM 0 H PHE A 76 -0.610 7.848 -2.879 1.00 0.00 H new ATOM 0 HA PHE A 76 0.928 7.722 -5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.667 5.968 -3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.989 5.628 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.891 5.052 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.479 5.500 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.061 3.862 -6.994 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.650 4.310 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.440 3.489 -4.964 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.355 7.992 -5.549 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.449 8.368 -6.482 1.00 0.00 C ATOM 1190 C LEU A 77 -3.413 9.876 -6.753 1.00 0.00 C ATOM 1191 O LEU A 77 -3.870 10.335 -7.783 1.00 0.00 O ATOM 1192 CB LEU A 77 -4.795 7.991 -5.851 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.034 6.469 -5.909 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -4.907 5.955 -7.346 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.016 5.752 -5.020 1.00 0.00 C ATOM 0 H LEU A 77 -2.659 7.756 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.320 7.837 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.819 8.326 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.601 8.508 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.043 6.265 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.079 4.879 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.645 6.451 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.906 6.169 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.188 4.677 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.008 5.972 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.126 6.095 -3.991 1.00 0.00 H new ATOM 1207 N ALA A 78 -2.877 10.649 -5.839 1.00 0.00 N ATOM 1208 CA ALA A 78 -2.813 12.127 -6.046 1.00 0.00 C ATOM 1209 C ALA A 78 -1.954 12.437 -7.279 1.00 0.00 C ATOM 1210 O ALA A 78 -2.468 12.693 -8.352 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.205 12.791 -4.807 1.00 0.00 C ATOM 0 H ALA A 78 -2.481 10.318 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.819 12.516 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.158 13.869 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.824 12.573 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.199 12.404 -4.643 1.00 0.00 H new ATOM 1217 N THR A 79 -0.651 12.412 -7.135 1.00 0.00 N ATOM 1218 CA THR A 79 0.243 12.701 -8.294 1.00 0.00 C ATOM 1219 C THR A 79 0.885 11.399 -8.778 1.00 0.00 C ATOM 1220 O THR A 79 0.786 11.044 -9.937 1.00 0.00 O ATOM 1221 CB THR A 79 1.338 13.680 -7.862 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.758 14.734 -7.106 1.00 0.00 O ATOM 1223 CG2 THR A 79 2.027 14.257 -9.099 1.00 0.00 C ATOM 0 H THR A 79 -0.169 12.203 -6.261 1.00 0.00 H new ATOM 0 HA THR A 79 -0.340 13.142 -9.103 1.00 0.00 H new ATOM 0 HB THR A 79 2.073 13.156 -7.251 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.458 15.360 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.806 14.954 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.472 13.448 -9.678 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.294 14.781 -9.712 1.00 0.00 H new