USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 751 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 Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0529 K(o=-0.053,f=-9.9!) USER MOD Single : A 20 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.45) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.0254 (180deg=-0.0853) USER MOD Single : A 23 ASN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.4) USER MOD Single : A 43 CYS SG : rot -50:sc= -3.6! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 52 GLN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= -0.0449 USER MOD Single : A 60 ASN : amide:sc= -5.35! C(o=-5.4!,f=-5.4!) USER MOD Single : A 64 ASN : amide:sc= 0.157 K(o=0.16,f=-2.3) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -63:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.125 (180deg=-0.351) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.511) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.1!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 168:sc= -0.942 (180deg=-1.17) USER MOD Single : A 121 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.0045) USER MOD Single : A 122 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.608 3.824 8.043 1.00 0.00 N ATOM 173 CA MET A 11 -3.292 3.290 7.737 1.00 0.00 C ATOM 174 C MET A 11 -3.071 1.943 8.429 1.00 0.00 C ATOM 175 O MET A 11 -2.377 1.076 7.901 1.00 0.00 O ATOM 176 CB MET A 11 -2.220 4.281 8.194 1.00 0.00 C ATOM 177 CG MET A 11 -2.423 4.672 9.659 1.00 0.00 C ATOM 178 SD MET A 11 -0.867 5.160 10.383 1.00 0.00 S ATOM 179 CE MET A 11 -1.456 6.120 11.767 1.00 0.00 C ATOM 0 HA MET A 11 -3.224 3.139 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.232 3.838 8.066 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.254 5.173 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.139 5.491 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.844 3.833 10.213 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.606 6.503 12.332 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.056 6.954 11.402 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.067 5.490 12.413 1.00 0.00 H new ATOM 189 N ARG A 12 -3.676 1.811 9.601 1.00 0.00 N ATOM 190 CA ARG A 12 -3.554 0.584 10.370 1.00 0.00 C ATOM 191 C ARG A 12 -4.214 -0.578 9.626 1.00 0.00 C ATOM 192 O ARG A 12 -3.542 -1.531 9.236 1.00 0.00 O ATOM 193 CB ARG A 12 -4.203 0.732 11.748 1.00 0.00 C ATOM 194 CG ARG A 12 -3.225 1.345 12.752 1.00 0.00 C ATOM 195 CD ARG A 12 -3.593 0.955 14.185 1.00 0.00 C ATOM 196 NE ARG A 12 -4.213 2.105 14.879 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.988 1.997 15.967 1.00 0.00 C ATOM 198 NH1 ARG A 12 -5.242 0.790 16.491 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.508 3.095 16.531 1.00 0.00 N ATOM 0 H ARG A 12 -4.251 2.532 10.036 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.491 0.379 10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.091 1.360 11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.533 -0.244 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.212 1.010 12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.231 2.431 12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.282 0.111 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.702 0.632 14.723 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.040 3.038 14.506 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.845 -0.046 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.832 0.707 17.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.314 4.014 16.132 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.098 3.012 17.359 1.00 0.00 H new ATOM 213 N GLN A 13 -5.522 -0.460 9.450 1.00 0.00 N ATOM 214 CA GLN A 13 -6.280 -1.489 8.759 1.00 0.00 C ATOM 215 C GLN A 13 -5.547 -1.926 7.489 1.00 0.00 C ATOM 216 O GLN A 13 -5.598 -3.095 7.110 1.00 0.00 O ATOM 217 CB GLN A 13 -7.695 -1.004 8.436 1.00 0.00 C ATOM 218 CG GLN A 13 -8.664 -1.343 9.570 1.00 0.00 C ATOM 219 CD GLN A 13 -8.527 -0.348 10.724 1.00 0.00 C ATOM 220 OE1 GLN A 13 -7.507 0.295 10.906 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.610 -0.258 11.492 1.00 0.00 N ATOM 0 H GLN A 13 -6.076 0.333 9.774 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.369 -2.352 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.685 0.073 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.038 -1.465 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.687 -1.331 9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.468 -2.353 9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.432 -0.826 11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.619 0.379 12.289 1.00 0.00 H new ATOM 230 N LEU A 14 -4.882 -0.963 6.867 1.00 0.00 N ATOM 231 CA LEU A 14 -4.139 -1.234 5.648 1.00 0.00 C ATOM 232 C LEU A 14 -2.981 -2.182 5.962 1.00 0.00 C ATOM 233 O LEU A 14 -2.995 -3.342 5.552 1.00 0.00 O ATOM 234 CB LEU A 14 -3.701 0.074 4.986 1.00 0.00 C ATOM 235 CG LEU A 14 -4.508 0.509 3.761 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.883 1.740 3.102 1.00 0.00 C ATOM 237 CD2 LEU A 14 -4.674 -0.648 2.774 1.00 0.00 C ATOM 0 H LEU A 14 -4.842 0.006 7.184 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.774 -1.737 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.751 0.869 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.656 -0.023 4.692 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.506 0.794 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.476 2.028 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.861 2.563 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.866 1.507 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.251 -0.312 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.693 -0.987 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.197 -1.471 3.262 1.00 0.00 H new ATOM 249 N ILE A 15 -2.005 -1.655 6.687 1.00 0.00 N ATOM 250 CA ILE A 15 -0.841 -2.440 7.060 1.00 0.00 C ATOM 251 C ILE A 15 -1.297 -3.807 7.573 1.00 0.00 C ATOM 252 O ILE A 15 -0.681 -4.827 7.265 1.00 0.00 O ATOM 253 CB ILE A 15 0.028 -1.669 8.055 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.753 -0.510 7.367 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.000 -2.606 8.776 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.225 0.838 7.861 1.00 0.00 C ATOM 0 H ILE A 15 -1.997 -0.693 7.026 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.208 -2.620 6.191 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.624 -1.236 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.823 -0.579 7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.620 -0.583 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.606 -2.032 9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.438 -3.366 9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.650 -3.088 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.757 1.644 7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.840 0.914 7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.381 0.918 8.937 1.00 0.00 H new ATOM 268 N ASP A 16 -2.373 -3.785 8.347 1.00 0.00 N ATOM 269 CA ASP A 16 -2.918 -5.011 8.905 1.00 0.00 C ATOM 270 C ASP A 16 -3.498 -5.866 7.777 1.00 0.00 C ATOM 271 O ASP A 16 -3.218 -7.061 7.693 1.00 0.00 O ATOM 272 CB ASP A 16 -4.043 -4.711 9.898 1.00 0.00 C ATOM 273 CG ASP A 16 -3.984 -5.507 11.203 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.898 -5.503 11.821 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.027 -6.101 11.553 1.00 0.00 O ATOM 0 H ASP A 16 -2.881 -2.938 8.600 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.113 -5.535 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.022 -3.648 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.998 -4.909 9.412 1.00 0.00 H new ATOM 280 N ILE A 17 -4.296 -5.221 6.939 1.00 0.00 N ATOM 281 CA ILE A 17 -4.918 -5.908 5.820 1.00 0.00 C ATOM 282 C ILE A 17 -3.845 -6.661 5.029 1.00 0.00 C ATOM 283 O ILE A 17 -4.040 -7.817 4.658 1.00 0.00 O ATOM 284 CB ILE A 17 -5.730 -4.926 4.973 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.188 -4.882 5.432 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.608 -5.256 3.483 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.942 -3.737 4.754 1.00 0.00 C ATOM 0 H ILE A 17 -4.526 -4.230 7.012 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.631 -6.651 6.178 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.317 -3.928 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.674 -5.830 5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.229 -4.758 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.194 -4.543 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.562 -5.196 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.980 -6.264 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.976 -3.728 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.468 -2.789 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.920 -3.877 3.673 1.00 0.00 H new ATOM 299 N VAL A 18 -2.736 -5.975 4.796 1.00 0.00 N ATOM 300 CA VAL A 18 -1.633 -6.564 4.057 1.00 0.00 C ATOM 301 C VAL A 18 -1.132 -7.805 4.800 1.00 0.00 C ATOM 302 O VAL A 18 -1.215 -8.918 4.282 1.00 0.00 O ATOM 303 CB VAL A 18 -0.538 -5.520 3.831 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.438 -5.976 2.744 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.142 -4.157 3.489 1.00 0.00 C ATOM 0 H VAL A 18 -2.578 -5.016 5.106 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.964 -6.887 3.070 1.00 0.00 H new ATOM 0 HB VAL A 18 0.021 -5.414 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.206 -5.216 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.906 -6.913 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.102 -6.124 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.342 -3.433 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.738 -4.241 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.777 -3.824 4.310 1.00 0.00 H new ATOM 315 N ASP A 19 -0.624 -7.571 6.001 1.00 0.00 N ATOM 316 CA ASP A 19 -0.110 -8.656 6.820 1.00 0.00 C ATOM 317 C ASP A 19 -1.154 -9.772 6.895 1.00 0.00 C ATOM 318 O ASP A 19 -0.816 -10.927 7.149 1.00 0.00 O ATOM 319 CB ASP A 19 0.177 -8.181 8.245 1.00 0.00 C ATOM 320 CG ASP A 19 0.701 -9.261 9.194 1.00 0.00 C ATOM 321 OD1 ASP A 19 -0.147 -10.019 9.714 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.936 -9.305 9.378 1.00 0.00 O ATOM 0 H ASP A 19 -0.557 -6.646 6.427 1.00 0.00 H new ATOM 0 HA ASP A 19 0.814 -9.013 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.906 -7.372 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.739 -7.764 8.664 1.00 0.00 H new ATOM 327 N GLN A 20 -2.402 -9.387 6.668 1.00 0.00 N ATOM 328 CA GLN A 20 -3.497 -10.341 6.707 1.00 0.00 C ATOM 329 C GLN A 20 -3.481 -11.218 5.453 1.00 0.00 C ATOM 330 O GLN A 20 -3.529 -12.444 5.549 1.00 0.00 O ATOM 331 CB GLN A 20 -4.841 -9.626 6.858 1.00 0.00 C ATOM 332 CG GLN A 20 -5.761 -10.385 7.817 1.00 0.00 C ATOM 333 CD GLN A 20 -5.204 -10.367 9.241 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.297 -9.385 9.960 1.00 0.00 O ATOM 335 NE2 GLN A 20 -4.621 -11.505 9.609 1.00 0.00 N ATOM 0 H GLN A 20 -2.678 -8.428 6.457 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.364 -10.983 7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.679 -8.614 7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.321 -9.536 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.754 -9.936 7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.873 -11.415 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.577 -12.289 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.218 -11.593 10.542 1.00 0.00 H new ATOM 344 N LEU A 21 -3.414 -10.557 4.307 1.00 0.00 N ATOM 345 CA LEU A 21 -3.391 -11.261 3.037 1.00 0.00 C ATOM 346 C LEU A 21 -2.141 -12.141 2.969 1.00 0.00 C ATOM 347 O LEU A 21 -2.218 -13.308 2.588 1.00 0.00 O ATOM 348 CB LEU A 21 -3.513 -10.274 1.874 1.00 0.00 C ATOM 349 CG LEU A 21 -2.955 -10.748 0.531 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.430 -10.859 0.578 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.612 -12.060 0.097 1.00 0.00 C ATOM 0 H LEU A 21 -3.375 -9.541 4.232 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.253 -11.923 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.567 -10.028 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.003 -9.351 2.151 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.200 -10.000 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.060 -11.198 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.001 -9.884 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.141 -11.574 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.198 -12.375 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.420 -12.828 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.687 -11.913 -0.004 1.00 0.00 H new ATOM 363 N LYS A 22 -1.017 -11.547 3.343 1.00 0.00 N ATOM 364 CA LYS A 22 0.248 -12.261 3.329 1.00 0.00 C ATOM 365 C LYS A 22 0.055 -13.643 3.957 1.00 0.00 C ATOM 366 O LYS A 22 0.325 -14.661 3.321 1.00 0.00 O ATOM 367 CB LYS A 22 1.341 -11.428 4.001 1.00 0.00 C ATOM 368 CG LYS A 22 2.086 -10.572 2.975 1.00 0.00 C ATOM 369 CD LYS A 22 2.215 -9.125 3.457 1.00 0.00 C ATOM 370 CE LYS A 22 3.293 -9.001 4.535 1.00 0.00 C ATOM 371 NZ LYS A 22 3.353 -7.615 5.051 1.00 0.00 N ATOM 0 H LYS A 22 -0.956 -10.579 3.658 1.00 0.00 H new ATOM 0 HA LYS A 22 0.585 -12.419 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.898 -10.786 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.045 -12.087 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.077 -10.990 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.556 -10.596 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.461 -8.478 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.259 -8.783 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.080 -9.691 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.262 -9.284 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.184 -7.510 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.426 -6.951 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.491 -7.410 5.595 1.00 0.00 H new ATOM 385 N ASN A 23 -0.410 -13.635 5.198 1.00 0.00 N ATOM 386 CA ASN A 23 -0.642 -14.875 5.918 1.00 0.00 C ATOM 387 C ASN A 23 -1.327 -15.879 4.989 1.00 0.00 C ATOM 388 O ASN A 23 -1.172 -17.088 5.154 1.00 0.00 O ATOM 389 CB ASN A 23 -1.556 -14.648 7.125 1.00 0.00 C ATOM 390 CG ASN A 23 -0.749 -14.613 8.424 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.451 -14.834 8.447 1.00 0.00 O ATOM 392 ND2 ASN A 23 -1.472 -14.324 9.502 1.00 0.00 N ATOM 0 H ASN A 23 -0.632 -12.789 5.723 1.00 0.00 H new ATOM 0 HA ASN A 23 0.322 -15.251 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.098 -13.710 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.301 -15.442 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.026 -14.277 10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.473 -14.150 9.413 1.00 0.00 H new ATOM 399 N TYR A 24 -2.069 -15.341 4.033 1.00 0.00 N ATOM 400 CA TYR A 24 -2.778 -16.176 3.077 1.00 0.00 C ATOM 401 C TYR A 24 -2.121 -16.108 1.697 1.00 0.00 C ATOM 402 O TYR A 24 -2.801 -15.919 0.690 1.00 0.00 O ATOM 403 CB TYR A 24 -4.193 -15.601 2.984 1.00 0.00 C ATOM 404 CG TYR A 24 -5.022 -15.779 4.257 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.389 -17.044 4.670 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.403 -14.675 4.992 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.170 -17.212 5.868 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.184 -14.843 6.191 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.529 -16.103 6.570 1.00 0.00 C ATOM 410 OH TYR A 24 -7.266 -16.262 7.701 1.00 0.00 O ATOM 0 H TYR A 24 -2.195 -14.338 3.899 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.770 -17.218 3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.128 -14.538 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.714 -16.078 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.090 -17.908 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.116 -13.685 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.464 -18.196 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.489 -13.988 6.776 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.448 -15.385 8.099 1.00 0.00 H new ATOM 420 N VAL A 25 -0.805 -16.266 1.695 1.00 0.00 N ATOM 421 CA VAL A 25 -0.049 -16.226 0.456 1.00 0.00 C ATOM 422 C VAL A 25 -0.337 -17.491 -0.355 1.00 0.00 C ATOM 423 O VAL A 25 -0.201 -17.494 -1.577 1.00 0.00 O ATOM 424 CB VAL A 25 1.439 -16.035 0.757 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.301 -16.517 -0.412 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.747 -14.576 1.100 1.00 0.00 C ATOM 0 H VAL A 25 -0.244 -16.422 2.532 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.357 -15.374 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 25 1.685 -16.643 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.354 -16.370 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.114 -17.576 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.050 -15.949 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.811 -14.468 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.477 -13.939 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.173 -14.279 1.978 1.00 0.00 H new ATOM 436 N ASN A 26 -0.730 -18.536 0.359 1.00 0.00 N ATOM 437 CA ASN A 26 -1.038 -19.805 -0.278 1.00 0.00 C ATOM 438 C ASN A 26 -2.067 -19.576 -1.387 1.00 0.00 C ATOM 439 O ASN A 26 -2.210 -20.404 -2.286 1.00 0.00 O ATOM 440 CB ASN A 26 -1.636 -20.794 0.725 1.00 0.00 C ATOM 441 CG ASN A 26 -1.239 -22.231 0.381 1.00 0.00 C ATOM 442 OD1 ASN A 26 -0.348 -22.483 -0.414 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.946 -23.156 1.023 1.00 0.00 N ATOM 0 H ASN A 26 -0.842 -18.530 1.373 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.111 -20.215 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.294 -20.549 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.722 -20.704 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.756 -24.145 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.678 -22.876 1.676 1.00 0.00 H new ATOM 450 N ASP A 27 -2.757 -18.449 -1.288 1.00 0.00 N ATOM 451 CA ASP A 27 -3.768 -18.102 -2.271 1.00 0.00 C ATOM 452 C ASP A 27 -3.378 -16.790 -2.956 1.00 0.00 C ATOM 453 O ASP A 27 -4.207 -15.893 -3.105 1.00 0.00 O ATOM 454 CB ASP A 27 -5.134 -17.902 -1.611 1.00 0.00 C ATOM 455 CG ASP A 27 -5.899 -19.192 -1.306 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.261 -20.113 -0.753 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.105 -19.227 -1.634 1.00 0.00 O ATOM 0 H ASP A 27 -2.635 -17.765 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.832 -18.918 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.994 -17.351 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.747 -17.278 -2.261 1.00 0.00 H new ATOM 462 N LEU A 28 -2.116 -16.720 -3.354 1.00 0.00 N ATOM 463 CA LEU A 28 -1.606 -15.533 -4.019 1.00 0.00 C ATOM 464 C LEU A 28 -1.097 -15.912 -5.410 1.00 0.00 C ATOM 465 O LEU A 28 -0.267 -16.810 -5.548 1.00 0.00 O ATOM 466 CB LEU A 28 -0.557 -14.840 -3.147 1.00 0.00 C ATOM 467 CG LEU A 28 -1.085 -13.789 -2.169 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.066 -13.029 -1.506 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.073 -12.845 -2.858 1.00 0.00 C ATOM 0 H LEU A 28 -1.432 -17.466 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.403 -14.803 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.026 -15.603 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.173 -14.364 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.630 -14.303 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.337 -12.288 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.697 -13.729 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.659 -12.528 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.433 -12.108 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.575 -12.335 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.916 -13.419 -3.243 1.00 0.00 H new ATOM 481 N VAL A 29 -1.615 -15.210 -6.407 1.00 0.00 N ATOM 482 CA VAL A 29 -1.223 -15.462 -7.783 1.00 0.00 C ATOM 483 C VAL A 29 -0.056 -14.545 -8.153 1.00 0.00 C ATOM 484 O VAL A 29 -0.190 -13.323 -8.127 1.00 0.00 O ATOM 485 CB VAL A 29 -2.430 -15.298 -8.710 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.546 -13.855 -9.207 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.359 -16.278 -9.882 1.00 0.00 C ATOM 0 H VAL A 29 -2.303 -14.466 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.878 -16.489 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.328 -15.528 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.411 -13.765 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.666 -13.185 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.644 -13.586 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.228 -16.140 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.451 -16.094 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.347 -17.300 -9.502 1.00 0.00 H new ATOM 497 N PRO A 30 1.093 -15.187 -8.497 1.00 0.00 N ATOM 498 CA PRO A 30 2.283 -14.442 -8.872 1.00 0.00 C ATOM 499 C PRO A 30 2.145 -13.860 -10.280 1.00 0.00 C ATOM 500 O PRO A 30 2.232 -14.588 -11.267 1.00 0.00 O ATOM 501 CB PRO A 30 3.425 -15.437 -8.749 1.00 0.00 C ATOM 502 CG PRO A 30 2.781 -16.814 -8.763 1.00 0.00 C ATOM 503 CD PRO A 30 1.288 -16.633 -8.539 1.00 0.00 C ATOM 0 HA PRO A 30 2.456 -13.576 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.130 -15.327 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.985 -15.277 -7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.967 -17.312 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.210 -17.444 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.709 -17.088 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.967 -17.103 -7.609 1.00 0.00 H new ATOM 511 N GLU A 31 1.931 -12.553 -10.327 1.00 0.00 N ATOM 512 CA GLU A 31 1.781 -11.865 -11.598 1.00 0.00 C ATOM 513 C GLU A 31 2.651 -10.607 -11.627 1.00 0.00 C ATOM 514 O GLU A 31 3.084 -10.123 -10.582 1.00 0.00 O ATOM 515 CB GLU A 31 0.314 -11.523 -11.866 1.00 0.00 C ATOM 516 CG GLU A 31 -0.402 -12.684 -12.558 1.00 0.00 C ATOM 517 CD GLU A 31 0.012 -12.786 -14.028 1.00 0.00 C ATOM 518 OE1 GLU A 31 0.056 -11.720 -14.680 1.00 0.00 O ATOM 519 OE2 GLU A 31 0.275 -13.927 -14.465 1.00 0.00 O ATOM 0 H GLU A 31 1.858 -11.953 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 31 2.116 -12.533 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.187 -11.291 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.253 -10.630 -12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.169 -13.617 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.481 -12.543 -12.489 1.00 0.00 H new ATOM 526 N PHE A 32 2.881 -10.113 -12.835 1.00 0.00 N ATOM 527 CA PHE A 32 3.692 -8.920 -13.013 1.00 0.00 C ATOM 528 C PHE A 32 3.008 -7.696 -12.403 1.00 0.00 C ATOM 529 O PHE A 32 2.191 -7.047 -13.055 1.00 0.00 O ATOM 530 CB PHE A 32 3.846 -8.706 -14.520 1.00 0.00 C ATOM 531 CG PHE A 32 4.784 -9.707 -15.199 1.00 0.00 C ATOM 532 CD1 PHE A 32 6.084 -9.790 -14.811 1.00 0.00 C ATOM 533 CD2 PHE A 32 4.316 -10.513 -16.190 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.955 -10.719 -15.441 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.186 -11.441 -16.819 1.00 0.00 C ATOM 536 CZ PHE A 32 6.487 -11.525 -16.432 1.00 0.00 C ATOM 0 H PHE A 32 2.520 -10.517 -13.699 1.00 0.00 H new ATOM 0 HA PHE A 32 4.655 -9.047 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.864 -8.770 -14.988 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.219 -7.697 -14.697 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.455 -9.150 -14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.283 -10.447 -16.498 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.988 -10.785 -15.133 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.815 -12.081 -17.606 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.149 -12.231 -16.911 1.00 0.00 H new ATOM 546 N LEU A 33 3.367 -7.416 -11.159 1.00 0.00 N ATOM 547 CA LEU A 33 2.798 -6.280 -10.453 1.00 0.00 C ATOM 548 C LEU A 33 3.849 -5.174 -10.344 1.00 0.00 C ATOM 549 O LEU A 33 5.006 -5.441 -10.023 1.00 0.00 O ATOM 550 CB LEU A 33 2.225 -6.720 -9.104 1.00 0.00 C ATOM 551 CG LEU A 33 0.705 -6.632 -8.960 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.005 -7.094 -10.240 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.224 -7.408 -7.732 1.00 0.00 C ATOM 0 H LEU A 33 4.045 -7.956 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 33 1.957 -5.867 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.528 -7.751 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.680 -6.111 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 33 0.437 -5.587 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.075 -7.021 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.314 -6.462 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.276 -8.129 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.860 -7.329 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.505 -8.456 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.684 -6.992 -6.836 1.00 0.00 H new ATOM 565 N PRO A 34 3.397 -3.922 -10.626 1.00 0.00 N ATOM 566 CA PRO A 34 4.286 -2.774 -10.563 1.00 0.00 C ATOM 567 C PRO A 34 4.573 -2.382 -9.112 1.00 0.00 C ATOM 568 O PRO A 34 3.663 -2.339 -8.285 1.00 0.00 O ATOM 569 CB PRO A 34 3.574 -1.682 -11.343 1.00 0.00 C ATOM 570 CG PRO A 34 2.116 -2.106 -11.418 1.00 0.00 C ATOM 571 CD PRO A 34 2.034 -3.568 -11.010 1.00 0.00 C ATOM 0 HA PRO A 34 5.267 -2.977 -10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.675 -0.717 -10.845 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.001 -1.573 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.505 -1.491 -10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.730 -1.969 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.340 -3.710 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.680 -4.190 -11.833 1.00 0.00 H new ATOM 579 N ALA A 35 5.841 -2.106 -8.847 1.00 0.00 N ATOM 580 CA ALA A 35 6.259 -1.719 -7.510 1.00 0.00 C ATOM 581 C ALA A 35 7.254 -0.561 -7.607 1.00 0.00 C ATOM 582 O ALA A 35 8.318 -0.701 -8.209 1.00 0.00 O ATOM 583 CB ALA A 35 6.846 -2.933 -6.787 1.00 0.00 C ATOM 0 H ALA A 35 6.593 -2.143 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 35 5.406 -1.373 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.160 -2.643 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.091 -3.716 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.706 -3.306 -7.342 1.00 0.00 H new ATOM 589 N PRO A 36 6.864 0.586 -6.990 1.00 0.00 N ATOM 590 CA PRO A 36 7.710 1.768 -7.001 1.00 0.00 C ATOM 591 C PRO A 36 8.886 1.608 -6.036 1.00 0.00 C ATOM 592 O PRO A 36 8.702 1.611 -4.820 1.00 0.00 O ATOM 593 CB PRO A 36 6.786 2.916 -6.627 1.00 0.00 C ATOM 594 CG PRO A 36 5.573 2.278 -5.970 1.00 0.00 C ATOM 595 CD PRO A 36 5.611 0.788 -6.267 1.00 0.00 C ATOM 0 HA PRO A 36 8.172 1.947 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.280 3.609 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.497 3.488 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.585 2.453 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.654 2.720 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.584 0.200 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.754 0.482 -6.867 1.00 0.00 H new ATOM 603 N GLU A 37 10.071 1.474 -6.615 1.00 0.00 N ATOM 604 CA GLU A 37 11.278 1.314 -5.822 1.00 0.00 C ATOM 605 C GLU A 37 11.962 2.667 -5.617 1.00 0.00 C ATOM 606 O GLU A 37 12.340 3.328 -6.584 1.00 0.00 O ATOM 607 CB GLU A 37 12.232 0.310 -6.471 1.00 0.00 C ATOM 608 CG GLU A 37 13.230 -0.238 -5.450 1.00 0.00 C ATOM 609 CD GLU A 37 14.165 -1.265 -6.093 1.00 0.00 C ATOM 610 OE1 GLU A 37 13.649 -2.334 -6.485 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.373 -0.957 -6.177 1.00 0.00 O ATOM 0 H GLU A 37 10.220 1.473 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 37 10.998 0.919 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.661 -0.512 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.770 0.790 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.816 0.581 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.692 -0.699 -4.622 1.00 0.00 H new ATOM 618 N ASP A 38 12.100 3.039 -4.353 1.00 0.00 N ATOM 619 CA ASP A 38 12.732 4.302 -4.010 1.00 0.00 C ATOM 620 C ASP A 38 11.782 5.452 -4.350 1.00 0.00 C ATOM 621 O ASP A 38 11.732 5.903 -5.493 1.00 0.00 O ATOM 622 CB ASP A 38 14.024 4.505 -4.805 1.00 0.00 C ATOM 623 CG ASP A 38 15.262 4.812 -3.959 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.066 5.218 -2.793 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.375 4.632 -4.498 1.00 0.00 O ATOM 0 H ASP A 38 11.785 2.488 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 38 12.963 4.285 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.217 3.607 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.874 5.321 -5.512 1.00 0.00 H new ATOM 630 N VAL A 39 11.053 5.894 -3.336 1.00 0.00 N ATOM 631 CA VAL A 39 10.107 6.983 -3.512 1.00 0.00 C ATOM 632 C VAL A 39 10.574 8.194 -2.702 1.00 0.00 C ATOM 633 O VAL A 39 10.884 8.071 -1.518 1.00 0.00 O ATOM 634 CB VAL A 39 8.699 6.519 -3.137 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.807 6.416 -4.376 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.743 5.189 -2.381 1.00 0.00 C ATOM 0 H VAL A 39 11.098 5.518 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 39 10.066 7.288 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 39 8.266 7.267 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.812 6.084 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.737 7.392 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.237 5.698 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.729 4.882 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.206 4.428 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.326 5.309 -1.468 1.00 0.00 H new ATOM 646 N GLU A 40 10.608 9.336 -3.372 1.00 0.00 N ATOM 647 CA GLU A 40 11.031 10.569 -2.729 1.00 0.00 C ATOM 648 C GLU A 40 10.183 10.835 -1.484 1.00 0.00 C ATOM 649 O GLU A 40 9.069 10.329 -1.367 1.00 0.00 O ATOM 650 CB GLU A 40 10.961 11.747 -3.703 1.00 0.00 C ATOM 651 CG GLU A 40 11.401 13.046 -3.024 1.00 0.00 C ATOM 652 CD GLU A 40 11.835 14.086 -4.059 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.533 13.680 -5.013 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.457 15.263 -3.873 1.00 0.00 O ATOM 0 H GLU A 40 10.350 9.434 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 40 12.070 10.458 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.598 11.549 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.943 11.855 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.581 13.443 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.225 12.842 -2.340 1.00 0.00 H new ATOM 661 N THR A 41 10.745 11.631 -0.584 1.00 0.00 N ATOM 662 CA THR A 41 10.054 11.971 0.648 1.00 0.00 C ATOM 663 C THR A 41 8.559 12.162 0.387 1.00 0.00 C ATOM 664 O THR A 41 7.729 11.806 1.222 1.00 0.00 O ATOM 665 CB THR A 41 10.730 13.208 1.242 1.00 0.00 C ATOM 666 OG1 THR A 41 11.677 12.677 2.166 1.00 0.00 O ATOM 667 CG2 THR A 41 9.781 14.032 2.115 1.00 0.00 C ATOM 0 H THR A 41 11.670 12.049 -0.684 1.00 0.00 H new ATOM 0 HA THR A 41 10.123 11.163 1.376 1.00 0.00 H new ATOM 0 HB THR A 41 11.116 13.832 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.162 13.412 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.311 14.898 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.935 14.368 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.421 13.418 2.940 1.00 0.00 H new ATOM 675 N ASN A 42 8.261 12.723 -0.776 1.00 0.00 N ATOM 676 CA ASN A 42 6.880 12.966 -1.158 1.00 0.00 C ATOM 677 C ASN A 42 6.566 12.189 -2.438 1.00 0.00 C ATOM 678 O ASN A 42 6.030 12.749 -3.393 1.00 0.00 O ATOM 679 CB ASN A 42 6.638 14.451 -1.434 1.00 0.00 C ATOM 680 CG ASN A 42 6.218 15.184 -0.159 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.614 14.844 0.943 1.00 0.00 O ATOM 682 ND2 ASN A 42 5.396 16.208 -0.371 1.00 0.00 N ATOM 0 H ASN A 42 8.952 13.016 -1.466 1.00 0.00 H new ATOM 0 HA ASN A 42 6.241 12.644 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.545 14.903 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.864 14.562 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.059 16.762 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.103 16.439 -1.320 1.00 0.00 H new ATOM 689 N CYS A 43 6.913 10.910 -2.417 1.00 0.00 N ATOM 690 CA CYS A 43 6.674 10.051 -3.564 1.00 0.00 C ATOM 691 C CYS A 43 5.869 8.837 -3.095 1.00 0.00 C ATOM 692 O CYS A 43 4.927 8.416 -3.765 1.00 0.00 O ATOM 693 CB CYS A 43 7.981 9.641 -4.245 1.00 0.00 C ATOM 694 SG CYS A 43 7.836 9.290 -6.035 1.00 0.00 S ATOM 0 H CYS A 43 7.358 10.448 -1.624 1.00 0.00 H new ATOM 0 HA CYS A 43 6.104 10.595 -4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.713 10.436 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.372 8.754 -3.746 1.00 0.00 H new ATOM 0 HG CYS A 43 6.850 8.467 -6.237 1.00 0.00 H new ATOM 699 N GLU A 44 6.270 8.308 -1.949 1.00 0.00 N ATOM 700 CA GLU A 44 5.598 7.151 -1.383 1.00 0.00 C ATOM 701 C GLU A 44 4.095 7.223 -1.656 1.00 0.00 C ATOM 702 O GLU A 44 3.453 6.201 -1.892 1.00 0.00 O ATOM 703 CB GLU A 44 5.878 7.033 0.117 1.00 0.00 C ATOM 704 CG GLU A 44 7.364 6.783 0.380 1.00 0.00 C ATOM 705 CD GLU A 44 7.578 6.144 1.754 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.848 5.173 2.048 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.467 6.642 2.479 1.00 0.00 O ATOM 0 H GLU A 44 7.052 8.659 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 44 5.992 6.256 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.565 7.947 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.289 6.218 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.770 6.132 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.910 7.725 0.324 1.00 0.00 H new ATOM 714 N TRP A 45 3.577 8.442 -1.616 1.00 0.00 N ATOM 715 CA TRP A 45 2.161 8.662 -1.856 1.00 0.00 C ATOM 716 C TRP A 45 1.883 8.379 -3.334 1.00 0.00 C ATOM 717 O TRP A 45 1.065 7.522 -3.663 1.00 0.00 O ATOM 718 CB TRP A 45 1.743 10.070 -1.428 1.00 0.00 C ATOM 719 CG TRP A 45 1.649 10.257 0.088 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.499 10.908 0.893 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.606 9.759 0.952 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.083 10.866 2.208 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.895 10.145 2.245 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.543 9.006 0.651 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.083 9.825 3.340 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.344 8.695 1.757 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.067 9.076 3.064 1.00 0.00 C ATOM 0 H TRP A 45 4.113 9.288 -1.421 1.00 0.00 H new ATOM 0 HA TRP A 45 1.558 7.984 -1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.459 10.788 -1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.775 10.302 -1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.397 11.404 0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.559 11.286 3.006 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.788 8.693 -0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.331 10.139 4.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.240 8.118 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.736 8.795 3.864 1.00 0.00 H new ATOM 738 N SER A 46 2.580 9.117 -4.186 1.00 0.00 N ATOM 739 CA SER A 46 2.418 8.957 -5.621 1.00 0.00 C ATOM 740 C SER A 46 2.652 7.497 -6.014 1.00 0.00 C ATOM 741 O SER A 46 2.235 7.065 -7.088 1.00 0.00 O ATOM 742 CB SER A 46 3.374 9.873 -6.388 1.00 0.00 C ATOM 743 OG SER A 46 3.222 9.742 -7.799 1.00 0.00 O ATOM 0 H SER A 46 3.258 9.827 -3.910 1.00 0.00 H new ATOM 0 HA SER A 46 1.398 9.238 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.194 10.908 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.402 9.638 -6.111 1.00 0.00 H new ATOM 0 HG SER A 46 3.848 10.344 -8.253 1.00 0.00 H new ATOM 749 N ALA A 47 3.317 6.777 -5.123 1.00 0.00 N ATOM 750 CA ALA A 47 3.611 5.374 -5.364 1.00 0.00 C ATOM 751 C ALA A 47 2.421 4.524 -4.913 1.00 0.00 C ATOM 752 O ALA A 47 2.278 3.377 -5.334 1.00 0.00 O ATOM 753 CB ALA A 47 4.906 4.993 -4.644 1.00 0.00 C ATOM 0 H ALA A 47 3.661 7.138 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 47 3.763 5.190 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.127 3.941 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.725 5.605 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.790 5.161 -3.573 1.00 0.00 H new ATOM 759 N PHE A 48 1.598 5.119 -4.062 1.00 0.00 N ATOM 760 CA PHE A 48 0.425 4.431 -3.550 1.00 0.00 C ATOM 761 C PHE A 48 -0.486 3.976 -4.692 1.00 0.00 C ATOM 762 O PHE A 48 -0.709 2.780 -4.873 1.00 0.00 O ATOM 763 CB PHE A 48 -0.334 5.431 -2.675 1.00 0.00 C ATOM 764 CG PHE A 48 -1.486 4.813 -1.880 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.223 4.033 -0.797 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.772 5.043 -2.256 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.292 3.460 -0.060 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.841 4.470 -1.519 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.579 3.690 -0.436 1.00 0.00 C ATOM 0 H PHE A 48 1.720 6.070 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 48 0.728 3.547 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.366 5.895 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.728 6.226 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.201 3.850 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.980 5.662 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.084 2.841 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.862 4.653 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.392 3.254 0.125 1.00 0.00 H new ATOM 779 N SER A 49 -0.987 4.953 -5.432 1.00 0.00 N ATOM 780 CA SER A 49 -1.869 4.668 -6.551 1.00 0.00 C ATOM 781 C SER A 49 -1.367 3.441 -7.313 1.00 0.00 C ATOM 782 O SER A 49 -2.152 2.568 -7.679 1.00 0.00 O ATOM 783 CB SER A 49 -1.973 5.871 -7.490 1.00 0.00 C ATOM 784 OG SER A 49 -0.700 6.270 -7.990 1.00 0.00 O ATOM 0 H SER A 49 -0.799 5.944 -5.279 1.00 0.00 H new ATOM 0 HA SER A 49 -2.865 4.461 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.629 5.624 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.432 6.706 -6.960 1.00 0.00 H new ATOM 0 HG SER A 49 -0.809 7.040 -8.587 1.00 0.00 H new ATOM 790 N CYS A 50 -0.060 3.413 -7.531 1.00 0.00 N ATOM 791 CA CYS A 50 0.557 2.307 -8.243 1.00 0.00 C ATOM 792 C CYS A 50 -0.044 1.002 -7.717 1.00 0.00 C ATOM 793 O CYS A 50 -0.535 0.184 -8.493 1.00 0.00 O ATOM 794 CB CYS A 50 2.081 2.328 -8.110 1.00 0.00 C ATOM 795 SG CYS A 50 2.967 1.216 -9.262 1.00 0.00 S ATOM 0 H CYS A 50 0.589 4.139 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 50 0.350 2.397 -9.309 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.432 3.348 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.346 2.056 -7.088 1.00 0.00 H new ATOM 0 HG CYS A 50 4.248 1.316 -9.063 1.00 0.00 H new ATOM 800 N PHE A 51 0.015 0.848 -6.403 1.00 0.00 N ATOM 801 CA PHE A 51 -0.518 -0.344 -5.764 1.00 0.00 C ATOM 802 C PHE A 51 -2.007 -0.511 -6.071 1.00 0.00 C ATOM 803 O PHE A 51 -2.512 -1.631 -6.122 1.00 0.00 O ATOM 804 CB PHE A 51 -0.337 -0.162 -4.256 1.00 0.00 C ATOM 805 CG PHE A 51 1.122 -0.190 -3.796 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.709 -1.372 -3.467 1.00 0.00 C ATOM 807 CD2 PHE A 51 1.833 0.967 -3.717 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.063 -1.398 -3.041 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.187 0.941 -3.290 1.00 0.00 C ATOM 810 CZ PHE A 51 3.773 -0.241 -2.961 1.00 0.00 C ATOM 0 H PHE A 51 0.424 1.529 -5.763 1.00 0.00 H new ATOM 0 HA PHE A 51 0.003 -1.228 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.783 0.787 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.886 -0.948 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.145 -2.291 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.368 1.906 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.529 -2.337 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.751 1.860 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.803 -0.261 -2.636 1.00 0.00 H new ATOM 820 N GLN A 52 -2.669 0.620 -6.266 1.00 0.00 N ATOM 821 CA GLN A 52 -4.091 0.613 -6.566 1.00 0.00 C ATOM 822 C GLN A 52 -4.338 0.009 -7.950 1.00 0.00 C ATOM 823 O GLN A 52 -5.410 -0.535 -8.211 1.00 0.00 O ATOM 824 CB GLN A 52 -4.679 2.022 -6.470 1.00 0.00 C ATOM 825 CG GLN A 52 -4.339 2.667 -5.125 1.00 0.00 C ATOM 826 CD GLN A 52 -5.202 2.084 -4.004 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.332 1.670 -4.206 1.00 0.00 O ATOM 828 NE2 GLN A 52 -4.608 2.074 -2.814 1.00 0.00 N ATOM 0 H GLN A 52 -2.247 1.548 -6.222 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.596 -0.007 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.291 2.638 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.761 1.978 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.285 2.508 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.493 3.744 -5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.660 2.436 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.101 1.704 -2.001 1.00 0.00 H new ATOM 837 N LYS A 53 -3.329 0.124 -8.800 1.00 0.00 N ATOM 838 CA LYS A 53 -3.423 -0.404 -10.150 1.00 0.00 C ATOM 839 C LYS A 53 -2.905 -1.843 -10.168 1.00 0.00 C ATOM 840 O LYS A 53 -3.432 -2.688 -10.890 1.00 0.00 O ATOM 841 CB LYS A 53 -2.708 0.520 -11.138 1.00 0.00 C ATOM 842 CG LYS A 53 -2.920 1.989 -10.767 1.00 0.00 C ATOM 843 CD LYS A 53 -4.339 2.444 -11.116 1.00 0.00 C ATOM 844 CE LYS A 53 -4.733 3.680 -10.306 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.737 4.482 -11.040 1.00 0.00 N ATOM 0 H LYS A 53 -2.441 0.576 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.463 -0.436 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.642 0.294 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.081 0.338 -12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.742 2.128 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.195 2.609 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.401 2.668 -12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.043 1.636 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.137 3.376 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.850 4.287 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.994 5.317 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.339 4.788 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.585 3.905 -11.210 1.00 0.00 H new ATOM 859 N ALA A 54 -1.877 -2.078 -9.365 1.00 0.00 N ATOM 860 CA ALA A 54 -1.281 -3.400 -9.279 1.00 0.00 C ATOM 861 C ALA A 54 -2.388 -4.456 -9.304 1.00 0.00 C ATOM 862 O ALA A 54 -2.328 -5.405 -10.084 1.00 0.00 O ATOM 863 CB ALA A 54 -0.417 -3.490 -8.020 1.00 0.00 C ATOM 0 H ALA A 54 -1.442 -1.375 -8.768 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.630 -3.584 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.030 -4.482 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.372 -2.739 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.036 -3.313 -7.140 1.00 0.00 H new ATOM 869 N GLN A 55 -3.372 -4.256 -8.440 1.00 0.00 N ATOM 870 CA GLN A 55 -4.491 -5.179 -8.352 1.00 0.00 C ATOM 871 C GLN A 55 -4.012 -6.549 -7.868 1.00 0.00 C ATOM 872 O GLN A 55 -3.477 -7.335 -8.648 1.00 0.00 O ATOM 873 CB GLN A 55 -5.213 -5.295 -9.697 1.00 0.00 C ATOM 874 CG GLN A 55 -6.428 -6.218 -9.589 1.00 0.00 C ATOM 875 CD GLN A 55 -7.005 -6.528 -10.971 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.949 -5.907 -11.432 1.00 0.00 O ATOM 877 NE2 GLN A 55 -6.388 -7.521 -11.605 1.00 0.00 N ATOM 0 H GLN A 55 -3.418 -3.468 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.204 -4.787 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.531 -4.307 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.526 -5.679 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.141 -7.146 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.192 -5.749 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.604 -7.999 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.699 -7.804 -12.534 1.00 0.00 H new ATOM 886 N LEU A 56 -4.222 -6.793 -6.583 1.00 0.00 N ATOM 887 CA LEU A 56 -3.818 -8.054 -5.985 1.00 0.00 C ATOM 888 C LEU A 56 -4.850 -9.130 -6.329 1.00 0.00 C ATOM 889 O LEU A 56 -6.049 -8.926 -6.146 1.00 0.00 O ATOM 890 CB LEU A 56 -3.584 -7.885 -4.482 1.00 0.00 C ATOM 891 CG LEU A 56 -3.032 -9.108 -3.747 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.153 -10.090 -3.399 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.916 -9.774 -4.553 1.00 0.00 C ATOM 0 H LEU A 56 -4.667 -6.139 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.864 -8.382 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.894 -7.054 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.528 -7.602 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.594 -8.773 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.734 -10.950 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.883 -9.596 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.642 -10.424 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.541 -10.640 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.306 -10.094 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.104 -9.063 -4.707 1.00 0.00 H new ATOM 905 N LYS A 57 -4.346 -10.252 -6.821 1.00 0.00 N ATOM 906 CA LYS A 57 -5.210 -11.361 -7.192 1.00 0.00 C ATOM 907 C LYS A 57 -4.711 -12.639 -6.516 1.00 0.00 C ATOM 908 O LYS A 57 -3.505 -12.859 -6.409 1.00 0.00 O ATOM 909 CB LYS A 57 -5.314 -11.472 -8.715 1.00 0.00 C ATOM 910 CG LYS A 57 -6.720 -11.902 -9.138 1.00 0.00 C ATOM 911 CD LYS A 57 -7.600 -10.685 -9.433 1.00 0.00 C ATOM 912 CE LYS A 57 -9.025 -11.113 -9.789 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.587 -10.227 -10.833 1.00 0.00 N ATOM 0 H LYS A 57 -3.351 -10.418 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.226 -11.188 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.071 -10.512 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.583 -12.193 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.660 -12.535 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.174 -12.501 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.620 -10.027 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.172 -10.113 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.024 -12.145 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.654 -11.081 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.555 -10.532 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.606 -9.248 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.996 -10.279 -11.687 1.00 0.00 H new ATOM 927 N SER A 58 -5.663 -13.448 -6.076 1.00 0.00 N ATOM 928 CA SER A 58 -5.336 -14.699 -5.412 1.00 0.00 C ATOM 929 C SER A 58 -5.253 -15.830 -6.439 1.00 0.00 C ATOM 930 O SER A 58 -5.863 -15.752 -7.505 1.00 0.00 O ATOM 931 CB SER A 58 -6.366 -15.036 -4.333 1.00 0.00 C ATOM 932 OG SER A 58 -7.642 -14.469 -4.617 1.00 0.00 O ATOM 0 H SER A 58 -6.662 -13.262 -6.166 1.00 0.00 H new ATOM 0 HA SER A 58 -4.367 -14.585 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.461 -16.119 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.013 -14.670 -3.369 1.00 0.00 H new ATOM 0 HG SER A 58 -8.171 -14.425 -3.793 1.00 0.00 H new ATOM 938 N ALA A 59 -4.495 -16.856 -6.083 1.00 0.00 N ATOM 939 CA ALA A 59 -4.325 -18.002 -6.960 1.00 0.00 C ATOM 940 C ALA A 59 -5.693 -18.446 -7.482 1.00 0.00 C ATOM 941 O ALA A 59 -5.795 -18.987 -8.582 1.00 0.00 O ATOM 942 CB ALA A 59 -3.598 -19.118 -6.207 1.00 0.00 C ATOM 0 H ALA A 59 -3.991 -16.918 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.713 -17.738 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.471 -19.978 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.620 -18.761 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.184 -19.411 -5.336 1.00 0.00 H new ATOM 948 N ASN A 60 -6.709 -18.200 -6.669 1.00 0.00 N ATOM 949 CA ASN A 60 -8.067 -18.568 -7.035 1.00 0.00 C ATOM 950 C ASN A 60 -8.263 -20.068 -6.807 1.00 0.00 C ATOM 951 O ASN A 60 -8.522 -20.814 -7.750 1.00 0.00 O ATOM 952 CB ASN A 60 -8.337 -18.275 -8.513 1.00 0.00 C ATOM 953 CG ASN A 60 -7.736 -16.930 -8.924 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.143 -15.873 -8.470 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.746 -17.027 -9.807 1.00 0.00 N ATOM 0 H ASN A 60 -6.620 -17.750 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.752 -17.985 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.914 -19.069 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.412 -18.268 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.279 -16.185 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.454 -17.943 -10.147 1.00 0.00 H new ATOM 997 N ASN A 64 -9.537 -19.154 1.028 1.00 0.00 N ATOM 998 CA ASN A 64 -9.036 -17.843 1.402 1.00 0.00 C ATOM 999 C ASN A 64 -9.284 -16.860 0.256 1.00 0.00 C ATOM 1000 O ASN A 64 -9.433 -15.661 0.484 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.530 -17.886 1.671 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.100 -19.269 2.162 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.961 -20.212 1.399 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.896 -19.338 3.474 1.00 0.00 N ATOM 0 HA ASN A 64 -9.556 -17.529 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.987 -17.635 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.268 -17.134 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.605 -20.218 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.030 -18.511 4.055 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.322 -17.406 -0.951 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.549 -16.592 -2.133 1.00 0.00 C ATOM 1013 C GLU A 65 -10.553 -15.479 -1.825 1.00 0.00 C ATOM 1014 O GLU A 65 -10.472 -14.390 -2.392 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.025 -17.451 -3.306 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.407 -16.579 -4.504 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.890 -16.203 -4.458 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.708 -17.077 -4.818 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.172 -15.051 -4.063 1.00 0.00 O ATOM 0 H GLU A 65 -9.199 -18.402 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.604 -16.132 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.238 -18.147 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.883 -18.049 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.799 -15.674 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.192 -17.112 -5.430 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.477 -15.790 -0.928 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.496 -14.830 -0.539 1.00 0.00 C ATOM 1028 C ARG A 66 -11.922 -13.824 0.460 1.00 0.00 C ATOM 1029 O ARG A 66 -12.047 -12.615 0.270 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.702 -15.531 0.089 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.816 -14.530 0.404 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.559 -14.119 -0.868 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.532 -15.168 -1.247 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.261 -16.173 -2.091 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -15.047 -16.271 -2.649 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.205 -17.080 -2.378 1.00 0.00 N ATOM 0 H ARG A 66 -11.541 -16.694 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.822 -14.309 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.077 -16.296 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.396 -16.040 1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.517 -14.972 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.392 -13.647 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.076 -13.173 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.848 -13.960 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.467 -15.123 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.328 -15.580 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.841 -17.036 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.130 -17.005 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.999 -17.845 -3.020 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.307 -14.360 1.504 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.714 -13.524 2.534 1.00 0.00 C ATOM 1052 C ILE A 67 -9.661 -12.611 1.900 1.00 0.00 C ATOM 1053 O ILE A 67 -9.324 -11.567 2.456 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.173 -14.384 3.677 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.163 -13.604 4.993 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.793 -14.948 3.334 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -8.852 -12.832 5.163 1.00 0.00 C ATOM 0 H ILE A 67 -11.207 -15.363 1.659 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.469 -12.878 2.982 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.843 -15.233 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.003 -12.910 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.295 -14.291 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.432 -15.556 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.864 -15.564 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.098 -14.127 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.871 -12.286 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.016 -13.531 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.735 -12.128 4.339 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.171 -13.039 0.746 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.164 -12.273 0.031 1.00 0.00 C ATOM 1071 C ILE A 68 -8.847 -11.160 -0.766 1.00 0.00 C ATOM 1072 O ILE A 68 -8.264 -10.099 -0.981 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.295 -13.198 -0.824 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.091 -13.708 -0.030 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -6.875 -12.509 -2.124 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.373 -15.087 0.570 1.00 0.00 C ATOM 0 H ILE A 68 -9.452 -13.906 0.288 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.482 -11.791 0.732 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.891 -14.068 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.218 -13.762 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.851 -13.003 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.258 -13.188 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.763 -12.237 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.304 -11.610 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.501 -15.426 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.231 -15.024 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.588 -15.795 -0.230 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.072 -11.441 -1.184 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.840 -10.476 -1.953 1.00 0.00 C ATOM 1090 C ASN A 69 -11.305 -9.348 -1.029 1.00 0.00 C ATOM 1091 O ASN A 69 -11.904 -8.376 -1.485 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.082 -11.125 -2.567 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.449 -10.459 -3.895 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.376 -9.672 -3.988 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -11.672 -10.817 -4.913 1.00 0.00 N ATOM 0 H ASN A 69 -10.552 -12.323 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.201 -10.094 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.900 -12.188 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.919 -11.046 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.836 -10.427 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.912 -11.482 -4.766 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.010 -9.516 0.252 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.390 -8.524 1.243 1.00 0.00 C ATOM 1104 C VAL A 70 -10.374 -7.380 1.228 1.00 0.00 C ATOM 1105 O VAL A 70 -10.725 -6.230 1.490 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.529 -9.183 2.616 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.232 -10.537 2.506 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.165 -9.326 3.296 1.00 0.00 C ATOM 0 H VAL A 70 -10.512 -10.324 0.626 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.364 -8.097 1.003 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.147 -8.535 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.318 -10.984 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.227 -10.397 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.653 -11.196 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.292 -9.797 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.513 -9.942 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.718 -8.340 3.425 1.00 0.00 H new ATOM 1118 N SER A 71 -9.135 -7.735 0.920 1.00 0.00 N ATOM 1119 CA SER A 71 -8.066 -6.752 0.868 1.00 0.00 C ATOM 1120 C SER A 71 -8.163 -5.941 -0.425 1.00 0.00 C ATOM 1121 O SER A 71 -7.492 -4.921 -0.574 1.00 0.00 O ATOM 1122 CB SER A 71 -6.696 -7.424 0.972 1.00 0.00 C ATOM 1123 OG SER A 71 -6.483 -8.368 -0.074 1.00 0.00 O ATOM 0 H SER A 71 -8.848 -8.690 0.704 1.00 0.00 H new ATOM 0 HA SER A 71 -8.177 -6.080 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.916 -6.664 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.611 -7.926 1.936 1.00 0.00 H new ATOM 0 HG SER A 71 -7.139 -9.092 0.000 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.004 -6.424 -1.328 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.198 -5.757 -2.604 1.00 0.00 C ATOM 1131 C ILE A 72 -9.907 -4.421 -2.373 1.00 0.00 C ATOM 1132 O ILE A 72 -9.401 -3.370 -2.764 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.926 -6.678 -3.585 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.293 -8.071 -3.602 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.980 -6.056 -4.982 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.925 -8.044 -4.286 1.00 0.00 C ATOM 0 H ILE A 72 -9.559 -7.270 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.237 -5.533 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.955 -6.796 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.186 -8.438 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.950 -8.767 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.502 -6.730 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.510 -5.105 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.966 -5.889 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.497 -9.047 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.039 -7.700 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.262 -7.366 -3.748 1.00 0.00 H new ATOM 1148 N LYS A 73 -11.067 -4.505 -1.738 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.851 -3.315 -1.451 1.00 0.00 C ATOM 1150 C LYS A 73 -10.934 -2.232 -0.879 1.00 0.00 C ATOM 1151 O LYS A 73 -10.926 -1.101 -1.363 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.035 -3.660 -0.545 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.187 -4.260 -1.354 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.250 -3.204 -1.661 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.584 -3.561 -1.004 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.847 -2.673 0.151 1.00 0.00 N ATOM 0 H LYS A 73 -11.483 -5.378 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.286 -2.914 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.717 -4.367 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.377 -2.763 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.804 -4.677 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.637 -5.083 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.914 -2.230 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.383 -3.120 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.390 -3.470 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.568 -4.600 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.757 -2.929 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.086 -2.780 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.883 -1.685 -0.172 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.184 -2.616 0.143 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.265 -1.691 0.786 1.00 0.00 C ATOM 1172 C LYS A 74 -8.127 -1.356 -0.179 1.00 0.00 C ATOM 1173 O LYS A 74 -7.876 -0.187 -0.467 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.790 -2.254 2.127 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.620 -1.692 3.283 1.00 0.00 C ATOM 1176 CD LYS A 74 -8.821 -0.660 4.081 1.00 0.00 C ATOM 1177 CE LYS A 74 -9.687 -0.015 5.165 1.00 0.00 C ATOM 1178 NZ LYS A 74 -9.821 1.439 4.924 1.00 0.00 N ATOM 0 H LYS A 74 -10.193 -3.555 0.542 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.769 -0.754 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.865 -3.341 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.739 -2.008 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.528 -1.232 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.931 -2.504 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.956 -1.140 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.440 0.109 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.673 -0.480 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.242 -0.188 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.217 1.896 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.886 1.844 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.454 1.600 4.115 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.467 -2.403 -0.652 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.361 -2.235 -1.579 1.00 0.00 C ATOM 1194 C LEU A 75 -6.736 -1.187 -2.629 1.00 0.00 C ATOM 1195 O LEU A 75 -5.865 -0.517 -3.180 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.951 -3.583 -2.175 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.930 -3.531 -3.313 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.569 -4.057 -2.853 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.445 -4.275 -4.546 1.00 0.00 C ATOM 0 H LEU A 75 -7.677 -3.371 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.480 -1.863 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.543 -4.202 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.847 -4.084 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.792 -2.489 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.862 -4.009 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.203 -3.447 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.671 -5.091 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.700 -4.223 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.630 -5.318 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.372 -3.815 -4.888 1.00 0.00 H new ATOM 1211 N LYS A 76 -8.034 -1.079 -2.873 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.535 -0.124 -3.847 1.00 0.00 C ATOM 1213 C LYS A 76 -8.824 1.206 -3.149 1.00 0.00 C ATOM 1214 O LYS A 76 -9.833 1.852 -3.429 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.739 -0.702 -4.594 1.00 0.00 C ATOM 1216 CG LYS A 76 -9.305 -1.797 -5.570 1.00 0.00 C ATOM 1217 CD LYS A 76 -10.337 -1.977 -6.685 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.970 -1.139 -7.912 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.904 -0.001 -8.060 1.00 0.00 N ATOM 0 H LYS A 76 -8.754 -1.637 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.781 0.073 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.454 -1.110 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.250 0.093 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.338 -1.541 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.176 -2.737 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.397 -3.029 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.323 -1.686 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.949 -0.769 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.000 -1.761 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.641 0.557 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.873 -0.360 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.855 0.601 -7.213 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.921 1.576 -2.253 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.067 2.818 -1.512 1.00 0.00 C ATOM 1235 C ARG A 77 -7.652 4.006 -2.382 1.00 0.00 C ATOM 1236 O ARG A 77 -7.026 3.828 -3.425 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.216 2.804 -0.241 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.024 3.287 0.965 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.871 2.154 1.547 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.140 2.033 0.795 1.00 0.00 N ATOM 1241 CZ ARG A 77 -11.122 2.943 0.826 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.988 4.048 1.573 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.239 2.750 0.111 1.00 0.00 N ATOM 0 H ARG A 77 -7.086 1.038 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.116 2.916 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.848 1.795 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.342 3.442 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.349 3.671 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.670 4.113 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.319 1.215 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.079 2.348 2.599 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.275 1.204 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.138 4.196 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.736 4.741 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.342 1.909 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.986 3.444 0.135 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.019 5.193 -1.920 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.693 6.410 -2.643 1.00 0.00 C ATOM 1259 C LYS A 78 -6.634 7.193 -1.864 1.00 0.00 C ATOM 1260 O LYS A 78 -6.628 7.180 -0.634 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.961 7.215 -2.936 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.108 7.481 -4.435 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.486 8.940 -4.699 1.00 0.00 C ATOM 1264 CE LYS A 78 -9.756 9.176 -6.186 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.061 10.602 -6.438 1.00 0.00 N ATOM 0 H LYS A 78 -8.539 5.337 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.262 6.171 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.833 6.672 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.928 8.162 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.173 7.246 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.871 6.823 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.371 9.201 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.681 9.594 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.887 8.875 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.591 8.556 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.242 10.744 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.903 10.878 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.253 11.187 -6.145 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.742 7.873 -2.631 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.681 8.660 -2.026 1.00 0.00 C ATOM 1281 C PRO A 79 -5.229 9.965 -1.446 1.00 0.00 C ATOM 1282 O PRO A 79 -6.405 10.281 -1.620 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.671 8.883 -3.141 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.417 8.616 -4.438 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.719 7.912 -4.091 1.00 0.00 C ATOM 0 HA PRO A 79 -4.215 8.156 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.281 9.901 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.818 8.212 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.616 9.550 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.815 7.998 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.579 8.453 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.751 6.908 -4.514 1.00 0.00 H new ATOM 1628 N LYS A 102 8.619 -4.998 -12.688 1.00 0.00 N ATOM 1629 CA LYS A 102 7.530 -5.666 -11.996 1.00 0.00 C ATOM 1630 C LYS A 102 8.096 -6.481 -10.831 1.00 0.00 C ATOM 1631 O LYS A 102 9.312 -6.572 -10.665 1.00 0.00 O ATOM 1632 CB LYS A 102 6.697 -6.492 -12.977 1.00 0.00 C ATOM 1633 CG LYS A 102 6.194 -5.626 -14.134 1.00 0.00 C ATOM 1634 CD LYS A 102 5.399 -4.426 -13.614 1.00 0.00 C ATOM 1635 CE LYS A 102 6.192 -3.129 -13.783 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.531 -2.241 -14.765 1.00 0.00 N ATOM 0 HA LYS A 102 6.844 -4.934 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.297 -7.314 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.849 -6.936 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.040 -5.277 -14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.566 -6.224 -14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.454 -4.351 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.157 -4.574 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.277 -2.620 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.205 -3.356 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.083 -1.365 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.473 -2.723 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.573 -2.010 -14.434 1.00 0.00 H new ATOM 1650 N LYS A 103 7.188 -7.053 -10.054 1.00 0.00 N ATOM 1651 CA LYS A 103 7.581 -7.857 -8.910 1.00 0.00 C ATOM 1652 C LYS A 103 6.428 -8.786 -8.525 1.00 0.00 C ATOM 1653 O LYS A 103 5.309 -8.627 -9.010 1.00 0.00 O ATOM 1654 CB LYS A 103 8.059 -6.962 -7.765 1.00 0.00 C ATOM 1655 CG LYS A 103 9.583 -7.002 -7.636 1.00 0.00 C ATOM 1656 CD LYS A 103 10.118 -5.696 -7.046 1.00 0.00 C ATOM 1657 CE LYS A 103 11.637 -5.755 -6.871 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.318 -5.261 -8.089 1.00 0.00 N ATOM 0 H LYS A 103 6.181 -6.975 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 103 8.431 -8.491 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.732 -5.937 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.603 -7.287 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.876 -7.839 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.030 -7.173 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.856 -4.864 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.644 -5.507 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.934 -5.153 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.946 -6.780 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.348 -5.308 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.048 -5.852 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.037 -4.276 -8.269 1.00 0.00 H new ATOM 1672 N PRO A 104 6.749 -9.762 -7.633 1.00 0.00 N ATOM 1673 CA PRO A 104 5.754 -10.717 -7.177 1.00 0.00 C ATOM 1674 C PRO A 104 4.792 -10.071 -6.177 1.00 0.00 C ATOM 1675 O PRO A 104 4.984 -8.923 -5.779 1.00 0.00 O ATOM 1676 CB PRO A 104 6.552 -11.862 -6.578 1.00 0.00 C ATOM 1677 CG PRO A 104 7.938 -11.304 -6.300 1.00 0.00 C ATOM 1678 CD PRO A 104 8.064 -9.981 -7.038 1.00 0.00 C ATOM 0 HA PRO A 104 5.114 -11.075 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.086 -12.225 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.602 -12.706 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.084 -11.159 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.705 -12.002 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.331 -9.172 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.841 -10.025 -7.801 1.00 0.00 H new ATOM 1686 N PRO A 105 3.752 -10.857 -5.791 1.00 0.00 N ATOM 1687 CA PRO A 105 2.760 -10.374 -4.845 1.00 0.00 C ATOM 1688 C PRO A 105 3.322 -10.358 -3.422 1.00 0.00 C ATOM 1689 O PRO A 105 3.200 -9.360 -2.714 1.00 0.00 O ATOM 1690 CB PRO A 105 1.574 -11.311 -5.005 1.00 0.00 C ATOM 1691 CG PRO A 105 2.116 -12.554 -5.692 1.00 0.00 C ATOM 1692 CD PRO A 105 3.493 -12.221 -6.242 1.00 0.00 C ATOM 0 HA PRO A 105 2.464 -9.343 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.138 -11.558 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.787 -10.847 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.177 -13.383 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.450 -12.867 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.247 -12.912 -5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.512 -12.289 -7.330 1.00 0.00 H new ATOM 1700 N LYS A 106 3.925 -11.476 -3.046 1.00 0.00 N ATOM 1701 CA LYS A 106 4.506 -11.603 -1.720 1.00 0.00 C ATOM 1702 C LYS A 106 5.330 -10.353 -1.407 1.00 0.00 C ATOM 1703 O LYS A 106 5.262 -9.821 -0.300 1.00 0.00 O ATOM 1704 CB LYS A 106 5.298 -12.907 -1.605 1.00 0.00 C ATOM 1705 CG LYS A 106 6.042 -13.213 -2.907 1.00 0.00 C ATOM 1706 CD LYS A 106 7.397 -13.864 -2.624 1.00 0.00 C ATOM 1707 CE LYS A 106 7.464 -15.273 -3.217 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.757 -15.913 -2.889 1.00 0.00 N ATOM 0 H LYS A 106 4.024 -12.302 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 106 3.722 -11.665 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.011 -12.833 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.622 -13.728 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.439 -13.876 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.188 -12.292 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.194 -13.251 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.564 -13.910 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.644 -15.877 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.340 -15.225 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.785 -16.868 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.535 -15.345 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.861 -15.976 -1.856 1.00 0.00 H new ATOM 1722 N GLU A 107 6.090 -9.920 -2.402 1.00 0.00 N ATOM 1723 CA GLU A 107 6.927 -8.742 -2.246 1.00 0.00 C ATOM 1724 C GLU A 107 6.080 -7.472 -2.350 1.00 0.00 C ATOM 1725 O GLU A 107 6.097 -6.634 -1.450 1.00 0.00 O ATOM 1726 CB GLU A 107 8.058 -8.733 -3.277 1.00 0.00 C ATOM 1727 CG GLU A 107 9.356 -9.270 -2.671 1.00 0.00 C ATOM 1728 CD GLU A 107 10.573 -8.766 -3.448 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.536 -8.873 -4.693 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.514 -8.285 -2.780 1.00 0.00 O ATOM 0 H GLU A 107 6.144 -10.363 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 107 7.382 -8.772 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.776 -9.340 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.215 -7.718 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.431 -8.959 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.341 -10.360 -2.678 1.00 0.00 H new ATOM 1737 N PHE A 108 5.359 -7.369 -3.457 1.00 0.00 N ATOM 1738 CA PHE A 108 4.507 -6.215 -3.691 1.00 0.00 C ATOM 1739 C PHE A 108 3.693 -5.873 -2.441 1.00 0.00 C ATOM 1740 O PHE A 108 3.405 -4.705 -2.184 1.00 0.00 O ATOM 1741 CB PHE A 108 3.548 -6.589 -4.823 1.00 0.00 C ATOM 1742 CG PHE A 108 2.383 -5.613 -4.999 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.623 -4.328 -5.378 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.108 -6.029 -4.777 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.542 -3.423 -5.541 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.026 -5.123 -4.941 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.266 -3.839 -5.319 1.00 0.00 C ATOM 0 H PHE A 108 5.347 -8.066 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 108 5.116 -5.347 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.108 -6.643 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.149 -7.585 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.636 -3.997 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.918 -7.049 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.733 -2.403 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.987 -5.454 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.556 -3.150 -5.443 1.00 0.00 H new ATOM 1757 N LEU A 109 3.345 -6.912 -1.697 1.00 0.00 N ATOM 1758 CA LEU A 109 2.570 -6.736 -0.481 1.00 0.00 C ATOM 1759 C LEU A 109 3.511 -6.374 0.670 1.00 0.00 C ATOM 1760 O LEU A 109 3.258 -5.421 1.406 1.00 0.00 O ATOM 1761 CB LEU A 109 1.713 -7.974 -0.208 1.00 0.00 C ATOM 1762 CG LEU A 109 0.329 -7.989 -0.860 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.357 -6.629 -0.721 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.415 -8.441 -2.319 1.00 0.00 C ATOM 0 H LEU A 109 3.586 -7.879 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 109 1.869 -5.909 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.262 -8.853 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.586 -8.073 0.870 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.289 -8.717 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.339 -6.667 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.471 -6.385 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.249 -5.864 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.582 -8.443 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.055 -7.756 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.833 -9.447 -2.364 1.00 0.00 H new ATOM 1776 N GLU A 110 4.576 -7.152 0.790 1.00 0.00 N ATOM 1777 CA GLU A 110 5.555 -6.925 1.839 1.00 0.00 C ATOM 1778 C GLU A 110 6.163 -5.528 1.703 1.00 0.00 C ATOM 1779 O GLU A 110 6.710 -4.989 2.664 1.00 0.00 O ATOM 1780 CB GLU A 110 6.643 -8.001 1.816 1.00 0.00 C ATOM 1781 CG GLU A 110 7.263 -8.183 3.202 1.00 0.00 C ATOM 1782 CD GLU A 110 8.780 -7.988 3.155 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.387 -8.492 2.185 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.298 -7.339 4.089 1.00 0.00 O ATOM 0 H GLU A 110 4.783 -7.941 0.178 1.00 0.00 H new ATOM 0 HA GLU A 110 5.048 -6.988 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.218 -8.946 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.418 -7.725 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.823 -7.469 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.032 -9.179 3.579 1.00 0.00 H new ATOM 1791 N ARG A 111 6.048 -4.981 0.502 1.00 0.00 N ATOM 1792 CA ARG A 111 6.579 -3.657 0.228 1.00 0.00 C ATOM 1793 C ARG A 111 5.516 -2.591 0.499 1.00 0.00 C ATOM 1794 O ARG A 111 5.785 -1.597 1.171 1.00 0.00 O ATOM 1795 CB ARG A 111 7.049 -3.541 -1.224 1.00 0.00 C ATOM 1796 CG ARG A 111 7.788 -2.222 -1.457 1.00 0.00 C ATOM 1797 CD ARG A 111 9.195 -2.472 -2.004 1.00 0.00 C ATOM 1798 NE ARG A 111 10.154 -1.531 -1.384 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.482 -1.707 -1.377 1.00 0.00 C ATOM 1800 NH1 ARG A 111 12.017 -2.791 -1.957 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.276 -0.801 -0.791 1.00 0.00 N ATOM 0 H ARG A 111 5.594 -5.431 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 111 7.432 -3.500 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.705 -4.377 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.191 -3.605 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.226 -1.605 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.851 -1.666 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.497 -3.499 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.200 -2.349 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 111 9.780 -0.696 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.413 -3.481 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.028 -2.925 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.870 0.024 -0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.287 -0.936 -0.786 1.00 0.00 H new ATOM 1815 N PHE A 112 4.329 -2.835 -0.037 1.00 0.00 N ATOM 1816 CA PHE A 112 3.223 -1.909 0.139 1.00 0.00 C ATOM 1817 C PHE A 112 2.980 -1.621 1.622 1.00 0.00 C ATOM 1818 O PHE A 112 2.950 -0.464 2.037 1.00 0.00 O ATOM 1819 CB PHE A 112 1.980 -2.579 -0.449 1.00 0.00 C ATOM 1820 CG PHE A 112 0.795 -1.631 -0.643 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.007 -0.354 -1.060 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.470 -2.065 -0.398 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.093 0.526 -1.240 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.570 -1.186 -0.578 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.358 0.092 -0.995 1.00 0.00 C ATOM 0 H PHE A 112 4.109 -3.661 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 112 3.447 -0.964 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.239 -3.022 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.676 -3.395 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.012 -0.009 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.638 -3.079 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.075 1.540 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.575 -1.531 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.195 0.761 -1.131 1.00 0.00 H new ATOM 1835 N LYS A 113 2.812 -2.695 2.380 1.00 0.00 N ATOM 1836 CA LYS A 113 2.572 -2.572 3.808 1.00 0.00 C ATOM 1837 C LYS A 113 3.599 -1.613 4.413 1.00 0.00 C ATOM 1838 O LYS A 113 3.232 -0.640 5.071 1.00 0.00 O ATOM 1839 CB LYS A 113 2.556 -3.952 4.469 1.00 0.00 C ATOM 1840 CG LYS A 113 2.561 -3.830 5.994 1.00 0.00 C ATOM 1841 CD LYS A 113 3.753 -4.575 6.600 1.00 0.00 C ATOM 1842 CE LYS A 113 4.800 -3.594 7.130 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.454 -3.156 8.501 1.00 0.00 N ATOM 0 H LYS A 113 2.837 -3.654 2.032 1.00 0.00 H new ATOM 0 HA LYS A 113 1.587 -2.143 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.672 -4.503 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.424 -4.525 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.602 -2.778 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.632 -4.233 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.410 -5.219 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.203 -5.222 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.782 -4.066 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.863 -2.728 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.286 -2.719 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.679 -2.463 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.153 -3.978 9.063 1.00 0.00 H new ATOM 1857 N SER A 114 4.864 -1.919 4.168 1.00 0.00 N ATOM 1858 CA SER A 114 5.947 -1.096 4.681 1.00 0.00 C ATOM 1859 C SER A 114 5.778 0.347 4.202 1.00 0.00 C ATOM 1860 O SER A 114 5.824 1.280 5.002 1.00 0.00 O ATOM 1861 CB SER A 114 7.308 -1.644 4.247 1.00 0.00 C ATOM 1862 OG SER A 114 8.343 -1.283 5.158 1.00 0.00 O ATOM 0 H SER A 114 5.164 -2.726 3.621 1.00 0.00 H new ATOM 0 HA SER A 114 5.908 -1.118 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.254 -2.730 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.551 -1.267 3.254 1.00 0.00 H new ATOM 0 HG SER A 114 9.196 -1.653 4.847 1.00 0.00 H new ATOM 1868 N LEU A 115 5.587 0.486 2.898 1.00 0.00 N ATOM 1869 CA LEU A 115 5.411 1.800 2.303 1.00 0.00 C ATOM 1870 C LEU A 115 4.414 2.604 3.139 1.00 0.00 C ATOM 1871 O LEU A 115 4.605 3.800 3.358 1.00 0.00 O ATOM 1872 CB LEU A 115 5.016 1.672 0.830 1.00 0.00 C ATOM 1873 CG LEU A 115 5.021 2.970 0.020 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.050 3.992 0.616 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.438 3.532 -0.107 1.00 0.00 C ATOM 0 H LEU A 115 5.550 -0.290 2.237 1.00 0.00 H new ATOM 0 HA LEU A 115 6.351 2.351 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.695 0.966 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.017 1.238 0.778 1.00 0.00 H new ATOM 0 HG LEU A 115 4.673 2.745 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.073 4.905 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.041 3.581 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.344 4.219 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.413 4.454 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.838 3.738 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.074 2.804 -0.610 1.00 0.00 H new ATOM 1887 N LEU A 116 3.373 1.917 3.585 1.00 0.00 N ATOM 1888 CA LEU A 116 2.346 2.553 4.392 1.00 0.00 C ATOM 1889 C LEU A 116 2.922 2.889 5.769 1.00 0.00 C ATOM 1890 O LEU A 116 2.843 4.032 6.217 1.00 0.00 O ATOM 1891 CB LEU A 116 1.091 1.680 4.447 1.00 0.00 C ATOM 1892 CG LEU A 116 0.515 1.248 3.097 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.074 -0.217 3.133 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.620 2.177 2.662 1.00 0.00 C ATOM 0 H LEU A 116 3.219 0.925 3.403 1.00 0.00 H new ATOM 0 HA LEU A 116 2.032 3.493 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.320 0.785 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.319 2.222 4.992 1.00 0.00 H new ATOM 0 HG LEU A 116 1.303 1.330 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.332 -0.499 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.931 -0.849 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.692 -0.348 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.011 1.847 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.416 2.151 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.242 3.195 2.570 1.00 0.00 H new ATOM 1906 N GLN A 117 3.488 1.873 6.403 1.00 0.00 N ATOM 1907 CA GLN A 117 4.077 2.046 7.720 1.00 0.00 C ATOM 1908 C GLN A 117 5.325 2.926 7.631 1.00 0.00 C ATOM 1909 O GLN A 117 5.922 3.267 8.651 1.00 0.00 O ATOM 1910 CB GLN A 117 4.403 0.694 8.357 1.00 0.00 C ATOM 1911 CG GLN A 117 5.818 0.241 7.989 1.00 0.00 C ATOM 1912 CD GLN A 117 6.799 0.526 9.128 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.447 0.538 10.296 1.00 0.00 O ATOM 1914 NE2 GLN A 117 8.045 0.754 8.724 1.00 0.00 N ATOM 0 H GLN A 117 3.551 0.926 6.029 1.00 0.00 H new ATOM 0 HA GLN A 117 3.349 2.545 8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.311 0.767 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.681 -0.052 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.815 -0.826 7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.145 0.756 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.271 0.729 7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.774 0.954 9.408 1.00 0.00 H new ATOM 1923 N LYS A 118 5.683 3.269 6.402 1.00 0.00 N ATOM 1924 CA LYS A 118 6.850 4.102 6.168 1.00 0.00 C ATOM 1925 C LYS A 118 6.419 5.569 6.106 1.00 0.00 C ATOM 1926 O LYS A 118 6.673 6.334 7.036 1.00 0.00 O ATOM 1927 CB LYS A 118 7.604 3.631 4.923 1.00 0.00 C ATOM 1928 CG LYS A 118 8.606 2.528 5.274 1.00 0.00 C ATOM 1929 CD LYS A 118 9.508 2.208 4.080 1.00 0.00 C ATOM 1930 CE LYS A 118 10.353 3.422 3.689 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.783 3.051 3.600 1.00 0.00 N ATOM 0 H LYS A 118 5.185 2.985 5.558 1.00 0.00 H new ATOM 0 HA LYS A 118 7.555 4.010 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.895 3.261 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.128 4.473 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.216 2.842 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.071 1.630 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.161 1.371 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.898 1.897 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.013 3.816 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.222 4.216 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.342 3.886 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.108 2.696 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.905 2.309 2.881 1.00 0.00 H new ATOM 1945 N MET A 119 5.775 5.918 5.003 1.00 0.00 N ATOM 1946 CA MET A 119 5.306 7.280 4.808 1.00 0.00 C ATOM 1947 C MET A 119 3.973 7.508 5.522 1.00 0.00 C ATOM 1948 O MET A 119 3.903 8.266 6.488 1.00 0.00 O ATOM 1949 CB MET A 119 5.138 7.553 3.312 1.00 0.00 C ATOM 1950 CG MET A 119 6.028 8.714 2.863 1.00 0.00 C ATOM 1951 SD MET A 119 5.031 9.995 2.121 1.00 0.00 S ATOM 1952 CE MET A 119 4.886 11.115 3.503 1.00 0.00 C ATOM 0 H MET A 119 5.566 5.281 4.234 1.00 0.00 H new ATOM 0 HA MET A 119 6.044 7.962 5.230 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.389 6.657 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.095 7.785 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.574 9.115 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.770 8.359 2.148 1.00 0.00 H new ATOM 0 HE1 MET A 119 4.478 12.066 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 119 4.222 10.684 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 119 5.870 11.280 3.942 1.00 0.00 H new ATOM 1962 N ILE A 120 2.946 6.838 5.019 1.00 0.00 N ATOM 1963 CA ILE A 120 1.618 6.958 5.597 1.00 0.00 C ATOM 1964 C ILE A 120 1.734 7.024 7.121 1.00 0.00 C ATOM 1965 O ILE A 120 0.912 7.656 7.783 1.00 0.00 O ATOM 1966 CB ILE A 120 0.712 5.832 5.096 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.140 6.160 3.716 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.388 5.520 6.113 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.226 6.710 2.789 1.00 0.00 C ATOM 0 H ILE A 120 3.007 6.210 4.217 1.00 0.00 H new ATOM 0 HA ILE A 120 1.143 7.884 5.273 1.00 0.00 H new ATOM 0 HB ILE A 120 1.316 4.931 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.298 5.263 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.663 6.891 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.018 4.716 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.065 5.211 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.995 6.410 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.793 6.935 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.645 7.620 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.015 5.967 2.672 1.00 0.00 H new ATOM 1981 N HIS A 121 2.761 6.362 7.633 1.00 0.00 N ATOM 1982 CA HIS A 121 2.995 6.336 9.067 1.00 0.00 C ATOM 1983 C HIS A 121 3.477 7.712 9.533 1.00 0.00 C ATOM 1984 O HIS A 121 2.742 8.438 10.200 1.00 0.00 O ATOM 1985 CB HIS A 121 3.963 5.212 9.440 1.00 0.00 C ATOM 1986 CG HIS A 121 4.021 4.917 10.920 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.188 4.544 11.565 1.00 0.00 N ATOM 1988 CD2 HIS A 121 3.046 4.946 11.874 1.00 0.00 C ATOM 1989 CE1 HIS A 121 4.915 4.358 12.848 1.00 0.00 C ATOM 1990 NE2 HIS A 121 3.588 4.607 13.037 1.00 0.00 N ATOM 0 H HIS A 121 3.441 5.839 7.080 1.00 0.00 H new ATOM 0 HA HIS A 121 2.062 6.120 9.587 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.672 4.305 8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.962 5.477 9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.009 5.201 11.711 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.620 4.061 13.610 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.093 4.543 13.926 1.00 0.00 H new ATOM 1998 N GLN A 122 4.709 8.029 9.162 1.00 0.00 N ATOM 1999 CA GLN A 122 5.297 9.304 9.533 1.00 0.00 C ATOM 2000 C GLN A 122 4.282 10.433 9.344 1.00 0.00 C ATOM 2001 O GLN A 122 4.281 11.404 10.098 1.00 0.00 O ATOM 2002 CB GLN A 122 6.572 9.574 8.731 1.00 0.00 C ATOM 2003 CG GLN A 122 6.339 9.343 7.237 1.00 0.00 C ATOM 2004 CD GLN A 122 7.648 9.465 6.453 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.347 8.495 6.207 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.939 10.706 6.075 1.00 0.00 N ATOM 0 H GLN A 122 5.316 7.424 8.608 1.00 0.00 H new ATOM 0 HA GLN A 122 5.571 9.261 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.900 10.600 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.372 8.923 9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.908 8.354 7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.617 10.068 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.310 11.473 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.791 10.891 5.546 1.00 0.00 H new