USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 14 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-13!) USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.26) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 63:sc= 0.682 USER MOD Single : A 46 TYR OH : rot 150:sc= -0.0724 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -2.85! K(o=-2.9!,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.183 (180deg=-0.94) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc=-0.00458 X(o=-0.0046,f=0.29) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0954) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.68! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 92 ASN : amide:sc= -2.14 K(o=-2.1,f=-0.81) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.105 -17.808 4.612 1.00 0.00 N ATOM 151 CA HIS A 14 -3.776 -17.864 4.026 1.00 0.00 C ATOM 152 C HIS A 14 -2.843 -16.912 4.776 1.00 0.00 C ATOM 153 O HIS A 14 -3.239 -15.804 5.134 1.00 0.00 O ATOM 154 CB HIS A 14 -3.833 -17.579 2.524 1.00 0.00 C ATOM 155 CG HIS A 14 -2.700 -18.195 1.738 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.466 -17.584 1.597 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.628 -19.373 1.054 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.694 -18.368 0.859 1.00 0.00 C ATOM 159 NE2 HIS A 14 -1.415 -19.475 0.523 1.00 0.00 N ATOM 0 HA HIS A 14 -3.370 -18.870 4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.779 -17.950 2.130 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.825 -16.500 2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.422 -20.099 0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.328 -18.165 0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.078 -20.254 -0.043 1.00 0.00 H new ATOM 167 N PRO A 15 -1.590 -17.391 4.996 1.00 0.00 N ATOM 168 CA PRO A 15 -0.597 -16.595 5.697 1.00 0.00 C ATOM 169 C PRO A 15 -0.051 -15.483 4.798 1.00 0.00 C ATOM 170 O PRO A 15 0.755 -14.664 5.237 1.00 0.00 O ATOM 171 CB PRO A 15 0.470 -17.587 6.129 1.00 0.00 C ATOM 172 CG PRO A 15 0.272 -18.817 5.258 1.00 0.00 C ATOM 173 CD PRO A 15 -1.086 -18.699 4.586 1.00 0.00 C ATOM 0 HA PRO A 15 -1.010 -16.074 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.468 -17.170 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.368 -17.836 7.185 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.063 -18.887 4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.322 -19.724 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.999 -18.768 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.756 -19.499 4.903 1.00 0.00 H new ATOM 181 N SER A 16 -0.512 -15.491 3.556 1.00 0.00 N ATOM 182 CA SER A 16 -0.080 -14.494 2.591 1.00 0.00 C ATOM 183 C SER A 16 -1.216 -13.507 2.315 1.00 0.00 C ATOM 184 O SER A 16 -1.008 -12.294 2.337 1.00 0.00 O ATOM 185 CB SER A 16 0.380 -15.151 1.288 1.00 0.00 C ATOM 186 OG SER A 16 1.454 -16.063 1.501 1.00 0.00 O ATOM 0 H SER A 16 -1.180 -16.172 3.196 1.00 0.00 H new ATOM 0 HA SER A 16 0.768 -13.954 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.458 -15.678 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.693 -14.380 0.584 1.00 0.00 H new ATOM 0 HG SER A 16 1.718 -16.463 0.646 1.00 0.00 H new ATOM 192 N ILE A 17 -2.392 -14.062 2.062 1.00 0.00 N ATOM 193 CA ILE A 17 -3.561 -13.245 1.783 1.00 0.00 C ATOM 194 C ILE A 17 -3.894 -12.400 3.014 1.00 0.00 C ATOM 195 O ILE A 17 -4.252 -11.230 2.890 1.00 0.00 O ATOM 196 CB ILE A 17 -4.722 -14.118 1.304 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.350 -14.873 0.026 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.996 -13.289 1.129 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.411 -13.951 -1.193 1.00 0.00 C ATOM 0 H ILE A 17 -2.561 -15.068 2.044 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.355 -12.552 0.967 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.926 -14.865 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.346 -15.287 0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.030 -15.714 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.806 -13.934 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.270 -12.837 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.822 -12.505 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.142 -14.513 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.422 -13.558 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.713 -13.125 -1.060 1.00 0.00 H new ATOM 211 N SER A 18 -3.763 -13.026 4.175 1.00 0.00 N ATOM 212 CA SER A 18 -4.045 -12.346 5.427 1.00 0.00 C ATOM 213 C SER A 18 -3.125 -11.134 5.584 1.00 0.00 C ATOM 214 O SER A 18 -3.530 -10.110 6.132 1.00 0.00 O ATOM 215 CB SER A 18 -3.882 -13.294 6.617 1.00 0.00 C ATOM 216 OG SER A 18 -3.978 -12.609 7.863 1.00 0.00 O ATOM 0 H SER A 18 -3.465 -13.997 4.274 1.00 0.00 H new ATOM 0 HA SER A 18 -5.081 -12.007 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.647 -14.070 6.570 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.916 -13.794 6.552 1.00 0.00 H new ATOM 0 HG SER A 18 -3.870 -13.249 8.597 1.00 0.00 H new ATOM 222 N ARG A 19 -1.905 -11.291 5.093 1.00 0.00 N ATOM 223 CA ARG A 19 -0.924 -10.222 5.172 1.00 0.00 C ATOM 224 C ARG A 19 -1.387 -9.014 4.354 1.00 0.00 C ATOM 225 O ARG A 19 -1.670 -7.955 4.912 1.00 0.00 O ATOM 226 CB ARG A 19 0.439 -10.686 4.654 1.00 0.00 C ATOM 227 CG ARG A 19 1.556 -10.295 5.625 1.00 0.00 C ATOM 228 CD ARG A 19 1.740 -11.362 6.707 1.00 0.00 C ATOM 229 NE ARG A 19 3.020 -11.146 7.418 1.00 0.00 N ATOM 230 CZ ARG A 19 3.606 -12.059 8.204 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.031 -13.256 8.384 1.00 0.00 N ATOM 232 NH2 ARG A 19 4.767 -11.775 8.809 1.00 0.00 N ATOM 0 H ARG A 19 -1.573 -12.142 4.639 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.826 -9.940 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.432 -11.768 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.630 -10.244 3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.489 -10.163 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.320 -9.338 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.911 -11.322 7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.728 -12.354 6.257 1.00 0.00 H new ATOM 0 HE ARG A 19 3.485 -10.246 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.147 -13.472 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.477 -13.951 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.204 -10.864 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.214 -12.470 9.408 1.00 0.00 H new ATOM 246 N LEU A 20 -1.452 -9.215 3.046 1.00 0.00 N ATOM 247 CA LEU A 20 -1.877 -8.156 2.147 1.00 0.00 C ATOM 248 C LEU A 20 -3.110 -7.462 2.729 1.00 0.00 C ATOM 249 O LEU A 20 -3.260 -6.247 2.605 1.00 0.00 O ATOM 250 CB LEU A 20 -2.090 -8.705 0.735 1.00 0.00 C ATOM 251 CG LEU A 20 -0.821 -9.025 -0.059 1.00 0.00 C ATOM 252 CD1 LEU A 20 0.265 -9.601 0.852 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.131 -9.950 -1.238 1.00 0.00 C ATOM 0 H LEU A 20 -1.217 -10.095 2.587 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.098 -7.399 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.689 -9.613 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.676 -7.980 0.169 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.433 -8.094 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.156 -9.820 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.512 -8.876 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.098 -10.518 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.213 -10.162 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.555 -10.883 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.846 -9.465 -1.903 1.00 0.00 H new ATOM 265 N GLN A 21 -3.961 -8.263 3.353 1.00 0.00 N ATOM 266 CA GLN A 21 -5.176 -7.741 3.955 1.00 0.00 C ATOM 267 C GLN A 21 -4.835 -6.847 5.149 1.00 0.00 C ATOM 268 O GLN A 21 -5.455 -5.803 5.344 1.00 0.00 O ATOM 269 CB GLN A 21 -6.114 -8.877 4.370 1.00 0.00 C ATOM 270 CG GLN A 21 -7.191 -9.114 3.309 1.00 0.00 C ATOM 271 CD GLN A 21 -8.501 -9.576 3.952 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.998 -8.990 4.899 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.029 -10.657 3.385 1.00 0.00 N ATOM 0 H GLN A 21 -3.833 -9.270 3.455 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.697 -7.137 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.540 -9.791 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.584 -8.635 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.361 -8.196 2.747 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.847 -9.864 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.560 -11.099 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.903 -11.044 3.741 1.00 0.00 H new ATOM 282 N GLU A 22 -3.851 -7.291 5.917 1.00 0.00 N ATOM 283 CA GLU A 22 -3.421 -6.544 7.087 1.00 0.00 C ATOM 284 C GLU A 22 -2.544 -5.362 6.669 1.00 0.00 C ATOM 285 O GLU A 22 -2.245 -4.488 7.481 1.00 0.00 O ATOM 286 CB GLU A 22 -2.684 -7.450 8.076 1.00 0.00 C ATOM 287 CG GLU A 22 -3.661 -8.092 9.063 1.00 0.00 C ATOM 288 CD GLU A 22 -3.336 -7.680 10.501 1.00 0.00 C ATOM 289 OE1 GLU A 22 -3.681 -6.532 10.854 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.750 -8.523 11.214 1.00 0.00 O ATOM 0 H GLU A 22 -3.339 -8.158 5.752 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.306 -6.155 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.147 -8.227 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.939 -6.870 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.680 -7.795 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.615 -9.177 8.972 1.00 0.00 H new ATOM 297 N ILE A 23 -2.156 -5.373 5.402 1.00 0.00 N ATOM 298 CA ILE A 23 -1.320 -4.312 4.866 1.00 0.00 C ATOM 299 C ILE A 23 -2.190 -3.331 4.078 1.00 0.00 C ATOM 300 O ILE A 23 -1.881 -2.143 4.004 1.00 0.00 O ATOM 301 CB ILE A 23 -0.165 -4.900 4.053 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.976 -5.351 4.967 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.312 -3.912 2.986 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.340 -6.814 4.708 1.00 0.00 C ATOM 0 H ILE A 23 -2.405 -6.100 4.731 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.856 -3.747 5.675 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.530 -5.786 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.850 -4.720 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.684 -5.224 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.133 -4.354 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.511 -3.682 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.654 -2.995 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.154 -7.109 5.371 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.471 -7.444 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.655 -6.932 3.671 1.00 0.00 H new ATOM 316 N GLN A 24 -3.261 -3.864 3.509 1.00 0.00 N ATOM 317 CA GLN A 24 -4.178 -3.051 2.730 1.00 0.00 C ATOM 318 C GLN A 24 -4.929 -2.077 3.640 1.00 0.00 C ATOM 319 O GLN A 24 -4.937 -0.872 3.393 1.00 0.00 O ATOM 320 CB GLN A 24 -5.154 -3.926 1.941 1.00 0.00 C ATOM 321 CG GLN A 24 -4.528 -4.398 0.627 1.00 0.00 C ATOM 322 CD GLN A 24 -5.521 -5.233 -0.185 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.708 -4.956 -0.237 1.00 0.00 O ATOM 324 NE2 GLN A 24 -4.970 -6.268 -0.813 1.00 0.00 N ATOM 0 H GLN A 24 -3.514 -4.850 3.572 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.597 -2.473 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.442 -4.789 2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.065 -3.365 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.209 -3.536 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.636 -4.989 0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.969 -6.443 -0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.549 -6.887 -1.381 1.00 0.00 H new ATOM 333 N ARG A 25 -5.541 -2.635 4.674 1.00 0.00 N ATOM 334 CA ARG A 25 -6.293 -1.831 5.622 1.00 0.00 C ATOM 335 C ARG A 25 -5.417 -0.703 6.173 1.00 0.00 C ATOM 336 O ARG A 25 -5.929 0.306 6.654 1.00 0.00 O ATOM 337 CB ARG A 25 -6.804 -2.684 6.785 1.00 0.00 C ATOM 338 CG ARG A 25 -5.641 -3.260 7.596 1.00 0.00 C ATOM 339 CD ARG A 25 -5.987 -3.317 9.085 1.00 0.00 C ATOM 340 NE ARG A 25 -5.606 -2.047 9.742 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.065 -1.652 10.938 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.926 -2.426 11.613 1.00 0.00 N ATOM 343 NH2 ARG A 25 -5.665 -0.484 11.457 1.00 0.00 N ATOM 0 H ARG A 25 -5.531 -3.635 4.876 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.147 -1.408 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.439 -2.079 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.422 -3.496 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.402 -4.261 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.752 -2.647 7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.055 -3.496 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.466 -4.150 9.556 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.953 -1.434 9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.232 -3.315 11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.276 -2.126 12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.011 0.105 10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.015 -0.184 12.367 1.00 0.00 H new ATOM 357 N GLU A 26 -4.112 -0.913 6.084 1.00 0.00 N ATOM 358 CA GLU A 26 -3.161 0.073 6.568 1.00 0.00 C ATOM 359 C GLU A 26 -3.076 1.250 5.594 1.00 0.00 C ATOM 360 O GLU A 26 -3.289 2.398 5.982 1.00 0.00 O ATOM 361 CB GLU A 26 -1.784 -0.556 6.789 1.00 0.00 C ATOM 362 CG GLU A 26 -1.737 -1.321 8.114 1.00 0.00 C ATOM 363 CD GLU A 26 -0.881 -0.582 9.144 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.178 0.609 9.379 1.00 0.00 O ATOM 365 OE2 GLU A 26 0.051 -1.225 9.674 1.00 0.00 O ATOM 0 H GLU A 26 -3.691 -1.751 5.684 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.512 0.447 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.553 -1.232 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.020 0.222 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.748 -1.448 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.331 -2.319 7.948 1.00 0.00 H new ATOM 372 N VAL A 27 -2.764 0.925 4.349 1.00 0.00 N ATOM 373 CA VAL A 27 -2.648 1.941 3.317 1.00 0.00 C ATOM 374 C VAL A 27 -3.994 2.647 3.149 1.00 0.00 C ATOM 375 O VAL A 27 -4.043 3.819 2.777 1.00 0.00 O ATOM 376 CB VAL A 27 -2.136 1.313 2.019 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.802 0.598 2.244 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.175 0.360 1.424 1.00 0.00 C ATOM 0 H VAL A 27 -2.588 -0.028 4.031 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.918 2.697 3.606 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.968 2.117 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.461 0.161 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.061 1.313 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.932 -0.190 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.786 -0.073 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.389 -0.436 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.091 0.909 1.208 1.00 0.00 H new ATOM 388 N LYS A 28 -5.055 1.905 3.431 1.00 0.00 N ATOM 389 CA LYS A 28 -6.399 2.445 3.315 1.00 0.00 C ATOM 390 C LYS A 28 -6.690 3.337 4.524 1.00 0.00 C ATOM 391 O LYS A 28 -7.340 4.373 4.393 1.00 0.00 O ATOM 392 CB LYS A 28 -7.415 1.318 3.124 1.00 0.00 C ATOM 393 CG LYS A 28 -8.728 1.855 2.549 1.00 0.00 C ATOM 394 CD LYS A 28 -8.707 1.829 1.020 1.00 0.00 C ATOM 395 CE LYS A 28 -8.870 0.402 0.493 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.709 0.392 -0.727 1.00 0.00 N ATOM 0 H LYS A 28 -5.011 0.934 3.740 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.483 3.072 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.003 0.562 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.605 0.829 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.562 1.256 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.891 2.875 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.508 2.458 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.768 2.249 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.891 -0.024 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.325 -0.225 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.809 -0.584 -1.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.648 0.779 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.259 0.974 -1.462 1.00 0.00 H new ATOM 410 N ALA A 29 -6.195 2.903 5.673 1.00 0.00 N ATOM 411 CA ALA A 29 -6.395 3.649 6.904 1.00 0.00 C ATOM 412 C ALA A 29 -5.488 4.881 6.901 1.00 0.00 C ATOM 413 O ALA A 29 -5.612 5.750 7.762 1.00 0.00 O ATOM 414 CB ALA A 29 -6.132 2.735 8.103 1.00 0.00 C ATOM 0 H ALA A 29 -5.655 2.044 5.778 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.425 3.997 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.282 3.294 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.820 1.890 8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.106 2.369 8.063 1.00 0.00 H new ATOM 420 N ILE A 30 -4.596 4.918 5.922 1.00 0.00 N ATOM 421 CA ILE A 30 -3.669 6.029 5.795 1.00 0.00 C ATOM 422 C ILE A 30 -3.875 6.707 4.439 1.00 0.00 C ATOM 423 O ILE A 30 -3.149 7.636 4.089 1.00 0.00 O ATOM 424 CB ILE A 30 -2.233 5.559 6.035 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.747 4.672 4.887 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.103 4.863 7.392 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.683 5.389 4.053 1.00 0.00 C ATOM 0 H ILE A 30 -4.496 4.196 5.209 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.867 6.779 6.561 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.586 6.436 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.337 3.745 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.590 4.399 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.073 4.539 7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.380 5.557 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.763 3.996 7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.354 4.737 3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.104 6.303 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.168 5.639 4.686 1.00 0.00 H new ATOM 439 N GLU A 31 -4.869 6.217 3.713 1.00 0.00 N ATOM 440 CA GLU A 31 -5.180 6.764 2.404 1.00 0.00 C ATOM 441 C GLU A 31 -5.690 8.201 2.536 1.00 0.00 C ATOM 442 O GLU A 31 -5.300 9.076 1.765 1.00 0.00 O ATOM 443 CB GLU A 31 -6.196 5.887 1.670 1.00 0.00 C ATOM 444 CG GLU A 31 -6.827 6.641 0.498 1.00 0.00 C ATOM 445 CD GLU A 31 -7.945 5.819 -0.146 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.852 5.406 0.608 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.867 5.621 -1.378 1.00 0.00 O ATOM 0 H GLU A 31 -5.470 5.447 4.007 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.265 6.777 1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.706 4.985 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.974 5.568 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.226 7.594 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.063 6.868 -0.246 1.00 0.00 H new ATOM 454 N PRO A 32 -6.579 8.404 3.546 1.00 0.00 N ATOM 455 CA PRO A 32 -7.147 9.719 3.789 1.00 0.00 C ATOM 456 C PRO A 32 -6.125 10.643 4.456 1.00 0.00 C ATOM 457 O PRO A 32 -6.430 11.795 4.758 1.00 0.00 O ATOM 458 CB PRO A 32 -8.371 9.465 4.654 1.00 0.00 C ATOM 459 CG PRO A 32 -8.181 8.078 5.247 1.00 0.00 C ATOM 460 CD PRO A 32 -7.064 7.391 4.479 1.00 0.00 C ATOM 0 HA PRO A 32 -7.425 10.234 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.458 10.217 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.285 9.515 4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.930 8.147 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.104 7.502 5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.271 7.056 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.429 6.510 3.952 1.00 0.00 H new ATOM 468 N GLN A 33 -4.934 10.102 4.664 1.00 0.00 N ATOM 469 CA GLN A 33 -3.865 10.863 5.289 1.00 0.00 C ATOM 470 C GLN A 33 -2.986 11.518 4.222 1.00 0.00 C ATOM 471 O GLN A 33 -2.165 12.379 4.533 1.00 0.00 O ATOM 472 CB GLN A 33 -3.032 9.978 6.218 1.00 0.00 C ATOM 473 CG GLN A 33 -3.749 9.754 7.551 1.00 0.00 C ATOM 474 CD GLN A 33 -2.766 9.303 8.633 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.658 9.894 9.695 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.058 8.226 8.306 1.00 0.00 N ATOM 0 H GLN A 33 -4.685 9.146 4.411 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.313 11.650 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.842 9.018 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.062 10.443 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.241 10.675 7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.529 9.003 7.427 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.198 7.779 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.375 7.846 8.961 1.00 0.00 H new ATOM 485 N VAL A 34 -3.189 11.086 2.986 1.00 0.00 N ATOM 486 CA VAL A 34 -2.425 11.620 1.872 1.00 0.00 C ATOM 487 C VAL A 34 -3.360 12.400 0.946 1.00 0.00 C ATOM 488 O VAL A 34 -2.954 13.390 0.338 1.00 0.00 O ATOM 489 CB VAL A 34 -1.683 10.489 1.157 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.452 9.171 1.268 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.417 10.847 -0.307 1.00 0.00 C ATOM 0 H VAL A 34 -3.872 10.372 2.732 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.665 12.316 2.228 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.720 10.357 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.902 8.384 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.566 8.904 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.436 9.285 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.889 10.026 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.365 11.020 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.808 11.750 -0.356 1.00 0.00 H new ATOM 501 N VAL A 35 -4.594 11.925 0.866 1.00 0.00 N ATOM 502 CA VAL A 35 -5.590 12.566 0.024 1.00 0.00 C ATOM 503 C VAL A 35 -5.999 13.900 0.651 1.00 0.00 C ATOM 504 O VAL A 35 -6.126 14.905 -0.047 1.00 0.00 O ATOM 505 CB VAL A 35 -6.774 11.622 -0.198 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.891 12.318 -0.978 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.327 10.340 -0.904 1.00 0.00 C ATOM 0 H VAL A 35 -4.927 11.103 1.371 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.175 12.783 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.171 11.345 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.720 11.625 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.237 13.188 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.512 12.638 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.187 9.686 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.893 10.590 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.582 9.829 -0.294 1.00 0.00 H new ATOM 517 N GLY A 36 -6.195 13.867 1.961 1.00 0.00 N ATOM 518 CA GLY A 36 -6.587 15.061 2.690 1.00 0.00 C ATOM 519 C GLY A 36 -5.380 15.707 3.374 1.00 0.00 C ATOM 520 O GLY A 36 -5.536 16.456 4.338 1.00 0.00 O ATOM 0 H GLY A 36 -6.090 13.032 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.047 15.774 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.339 14.805 3.437 1.00 0.00 H new ATOM 524 N PHE A 37 -4.205 15.394 2.849 1.00 0.00 N ATOM 525 CA PHE A 37 -2.973 15.934 3.397 1.00 0.00 C ATOM 526 C PHE A 37 -2.811 17.411 3.031 1.00 0.00 C ATOM 527 O PHE A 37 -3.560 17.936 2.208 1.00 0.00 O ATOM 528 CB PHE A 37 -1.821 15.139 2.778 1.00 0.00 C ATOM 529 CG PHE A 37 -0.433 15.617 3.209 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.004 15.384 4.476 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.365 16.274 2.325 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.292 15.827 4.876 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.653 16.717 2.725 1.00 0.00 C ATOM 534 CZ PHE A 37 2.089 16.484 3.992 1.00 0.00 C ATOM 0 H PHE A 37 -4.080 14.773 2.050 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.984 15.855 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.932 14.089 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.894 15.199 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.629 14.862 5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.019 16.459 1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.639 15.642 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.287 17.239 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.069 16.821 4.296 1.00 0.00 H new ATOM 544 N SER A 38 -1.829 18.040 3.661 1.00 0.00 N ATOM 545 CA SER A 38 -1.560 19.446 3.412 1.00 0.00 C ATOM 546 C SER A 38 -0.211 19.836 4.019 1.00 0.00 C ATOM 547 O SER A 38 -0.099 20.008 5.232 1.00 0.00 O ATOM 548 CB SER A 38 -2.673 20.329 3.980 1.00 0.00 C ATOM 549 OG SER A 38 -3.160 21.260 3.017 1.00 0.00 O ATOM 0 H SER A 38 -1.210 17.602 4.343 1.00 0.00 H new ATOM 0 HA SER A 38 -1.525 19.602 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.494 19.700 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.299 20.869 4.850 1.00 0.00 H new ATOM 0 HG SER A 38 -3.870 21.804 3.418 1.00 0.00 H new ATOM 555 N GLY A 39 0.779 19.964 3.148 1.00 0.00 N ATOM 556 CA GLY A 39 2.116 20.331 3.584 1.00 0.00 C ATOM 557 C GLY A 39 3.131 20.145 2.454 1.00 0.00 C ATOM 558 O GLY A 39 2.756 20.066 1.285 1.00 0.00 O ATOM 0 H GLY A 39 0.682 19.820 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.122 21.369 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.404 19.721 4.440 1.00 0.00 H new ATOM 562 N LEU A 40 4.396 20.080 2.843 1.00 0.00 N ATOM 563 CA LEU A 40 5.467 19.905 1.877 1.00 0.00 C ATOM 564 C LEU A 40 5.909 18.440 1.872 1.00 0.00 C ATOM 565 O LEU A 40 5.429 17.640 2.674 1.00 0.00 O ATOM 566 CB LEU A 40 6.605 20.889 2.155 1.00 0.00 C ATOM 567 CG LEU A 40 6.488 22.257 1.481 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.521 23.236 2.043 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.589 22.129 -0.041 1.00 0.00 C ATOM 0 H LEU A 40 4.703 20.145 3.813 1.00 0.00 H new ATOM 0 HA LEU A 40 5.115 20.136 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.672 21.041 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.542 20.429 1.839 1.00 0.00 H new ATOM 0 HG LEU A 40 5.502 22.665 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.416 24.201 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.360 23.360 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.524 22.846 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.503 23.116 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.551 21.690 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.785 21.490 -0.406 1.00 0.00 H new ATOM 581 N SER A 41 6.819 18.133 0.960 1.00 0.00 N ATOM 582 CA SER A 41 7.331 16.778 0.840 1.00 0.00 C ATOM 583 C SER A 41 8.511 16.578 1.793 1.00 0.00 C ATOM 584 O SER A 41 9.565 16.092 1.388 1.00 0.00 O ATOM 585 CB SER A 41 7.754 16.475 -0.599 1.00 0.00 C ATOM 586 OG SER A 41 8.966 17.137 -0.950 1.00 0.00 O ATOM 0 H SER A 41 7.215 18.799 0.297 1.00 0.00 H new ATOM 0 HA SER A 41 6.533 16.086 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.880 15.399 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.962 16.782 -1.282 1.00 0.00 H new ATOM 0 HG SER A 41 9.695 16.806 -0.385 1.00 0.00 H new ATOM 652 N TYR A 46 4.430 14.169 6.577 1.00 0.00 N ATOM 653 CA TYR A 46 4.663 13.543 5.287 1.00 0.00 C ATOM 654 C TYR A 46 5.583 12.328 5.425 1.00 0.00 C ATOM 655 O TYR A 46 5.271 11.248 4.927 1.00 0.00 O ATOM 656 CB TYR A 46 5.359 14.598 4.425 1.00 0.00 C ATOM 657 CG TYR A 46 5.716 14.115 3.018 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.917 13.474 2.793 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.838 14.322 1.973 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.254 13.020 1.468 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.175 13.867 0.649 1.00 0.00 C ATOM 662 CZ TYR A 46 6.366 13.239 0.462 1.00 0.00 C ATOM 663 OH TYR A 46 6.684 12.810 -0.789 1.00 0.00 O ATOM 0 HA TYR A 46 3.724 13.201 4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.712 15.471 4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.270 14.921 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.604 13.313 3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.899 14.825 2.148 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.191 12.517 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.497 14.021 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 46 5.864 12.583 -1.275 1.00 0.00 H new ATOM 673 N LYS A 47 6.699 12.545 6.105 1.00 0.00 N ATOM 674 CA LYS A 47 7.667 11.482 6.316 1.00 0.00 C ATOM 675 C LYS A 47 6.935 10.214 6.760 1.00 0.00 C ATOM 676 O LYS A 47 7.087 9.158 6.148 1.00 0.00 O ATOM 677 CB LYS A 47 8.758 11.935 7.288 1.00 0.00 C ATOM 678 CG LYS A 47 9.894 12.642 6.546 1.00 0.00 C ATOM 679 CD LYS A 47 9.729 14.161 6.609 1.00 0.00 C ATOM 680 CE LYS A 47 10.044 14.689 8.010 1.00 0.00 C ATOM 681 NZ LYS A 47 11.504 14.862 8.182 1.00 0.00 N ATOM 0 H LYS A 47 6.955 13.442 6.517 1.00 0.00 H new ATOM 0 HA LYS A 47 8.182 11.245 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.331 12.607 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.152 11.073 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.851 12.358 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.911 12.317 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.390 14.633 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.709 14.431 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.538 15.641 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.663 13.996 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.701 15.221 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.980 13.947 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.859 15.540 7.478 1.00 0.00 H new ATOM 695 N ARG A 48 6.157 10.359 7.823 1.00 0.00 N ATOM 696 CA ARG A 48 5.402 9.239 8.357 1.00 0.00 C ATOM 697 C ARG A 48 4.691 8.491 7.226 1.00 0.00 C ATOM 698 O ARG A 48 5.030 7.348 6.924 1.00 0.00 O ATOM 699 CB ARG A 48 4.365 9.710 9.378 1.00 0.00 C ATOM 700 CG ARG A 48 4.237 8.711 10.530 1.00 0.00 C ATOM 701 CD ARG A 48 5.154 9.095 11.693 1.00 0.00 C ATOM 702 NE ARG A 48 5.928 7.914 12.138 1.00 0.00 N ATOM 703 CZ ARG A 48 6.626 7.861 13.280 1.00 0.00 C ATOM 704 NH1 ARG A 48 6.652 8.921 14.100 1.00 0.00 N ATOM 705 NH2 ARG A 48 7.299 6.748 13.603 1.00 0.00 N ATOM 0 H ARG A 48 6.034 11.236 8.329 1.00 0.00 H new ATOM 0 HA ARG A 48 6.106 8.571 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.651 10.686 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.398 9.833 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.203 8.677 10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.489 7.711 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.833 9.890 11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.562 9.485 12.521 1.00 0.00 H new ATOM 0 HE ARG A 48 5.930 7.089 11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.140 9.768 13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.184 8.880 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.280 5.941 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.831 6.708 14.473 1.00 0.00 H new ATOM 719 N LEU A 49 3.719 9.167 6.633 1.00 0.00 N ATOM 720 CA LEU A 49 2.957 8.581 5.543 1.00 0.00 C ATOM 721 C LEU A 49 3.908 7.832 4.607 1.00 0.00 C ATOM 722 O LEU A 49 3.838 6.609 4.494 1.00 0.00 O ATOM 723 CB LEU A 49 2.119 9.651 4.840 1.00 0.00 C ATOM 724 CG LEU A 49 0.718 9.885 5.408 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.742 10.955 6.502 1.00 0.00 C ATOM 726 CD2 LEU A 49 -0.275 10.226 4.295 1.00 0.00 C ATOM 0 H LEU A 49 3.441 10.115 6.886 1.00 0.00 H new ATOM 0 HA LEU A 49 2.244 7.851 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.666 10.593 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.023 9.377 3.789 1.00 0.00 H new ATOM 0 HG LEU A 49 0.378 8.959 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.266 11.102 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.398 10.634 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.111 11.892 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.263 10.388 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.050 11.131 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.320 9.402 3.583 1.00 0.00 H new ATOM 738 N GLU A 50 4.776 8.597 3.961 1.00 0.00 N ATOM 739 CA GLU A 50 5.740 8.021 3.039 1.00 0.00 C ATOM 740 C GLU A 50 6.296 6.711 3.602 1.00 0.00 C ATOM 741 O GLU A 50 6.218 5.669 2.953 1.00 0.00 O ATOM 742 CB GLU A 50 6.868 9.010 2.736 1.00 0.00 C ATOM 743 CG GLU A 50 7.963 8.351 1.895 1.00 0.00 C ATOM 744 CD GLU A 50 8.449 9.294 0.792 1.00 0.00 C ATOM 745 OE1 GLU A 50 9.401 10.054 1.074 1.00 0.00 O ATOM 746 OE2 GLU A 50 7.859 9.233 -0.308 1.00 0.00 O ATOM 0 H GLU A 50 4.832 9.611 4.058 1.00 0.00 H new ATOM 0 HA GLU A 50 5.230 7.803 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.467 9.873 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.294 9.379 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.800 8.072 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.582 7.432 1.451 1.00 0.00 H new ATOM 753 N ARG A 51 6.845 6.807 4.804 1.00 0.00 N ATOM 754 CA ARG A 51 7.414 5.643 5.462 1.00 0.00 C ATOM 755 C ARG A 51 6.370 4.529 5.566 1.00 0.00 C ATOM 756 O ARG A 51 6.639 3.386 5.201 1.00 0.00 O ATOM 757 CB ARG A 51 7.918 5.994 6.864 1.00 0.00 C ATOM 758 CG ARG A 51 9.304 6.638 6.803 1.00 0.00 C ATOM 759 CD ARG A 51 10.378 5.599 6.473 1.00 0.00 C ATOM 760 NE ARG A 51 11.724 6.186 6.657 1.00 0.00 N ATOM 761 CZ ARG A 51 12.248 6.505 7.849 1.00 0.00 C ATOM 762 NH1 ARG A 51 11.542 6.295 8.969 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.477 7.033 7.921 1.00 0.00 N ATOM 0 H ARG A 51 6.908 7.673 5.339 1.00 0.00 H new ATOM 0 HA ARG A 51 8.257 5.301 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.217 6.676 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.958 5.093 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.310 7.425 6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.532 7.111 7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.262 4.727 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.260 5.255 5.445 1.00 0.00 H new ATOM 0 HE ARG A 51 12.288 6.359 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.606 5.893 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.940 6.538 9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.014 7.192 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.875 7.276 8.828 1.00 0.00 H new ATOM 777 N ILE A 52 5.202 4.902 6.067 1.00 0.00 N ATOM 778 CA ILE A 52 4.116 3.949 6.224 1.00 0.00 C ATOM 779 C ILE A 52 3.878 3.230 4.895 1.00 0.00 C ATOM 780 O ILE A 52 3.909 2.002 4.835 1.00 0.00 O ATOM 781 CB ILE A 52 2.871 4.643 6.780 1.00 0.00 C ATOM 782 CG1 ILE A 52 3.151 5.254 8.155 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.678 3.685 6.811 1.00 0.00 C ATOM 784 CD1 ILE A 52 2.099 6.306 8.512 1.00 0.00 C ATOM 0 H ILE A 52 4.984 5.851 6.370 1.00 0.00 H new ATOM 0 HA ILE A 52 4.381 3.186 6.956 1.00 0.00 H new ATOM 0 HB ILE A 52 2.609 5.463 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.157 4.469 8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.142 5.709 8.160 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.806 4.203 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.463 3.339 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.914 2.830 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.321 6.724 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.113 7.102 7.767 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.113 5.843 8.530 1.00 0.00 H new ATOM 796 N LEU A 53 3.647 4.027 3.861 1.00 0.00 N ATOM 797 CA LEU A 53 3.404 3.482 2.537 1.00 0.00 C ATOM 798 C LEU A 53 4.589 2.605 2.125 1.00 0.00 C ATOM 799 O LEU A 53 4.420 1.420 1.843 1.00 0.00 O ATOM 800 CB LEU A 53 3.095 4.604 1.544 1.00 0.00 C ATOM 801 CG LEU A 53 1.661 5.139 1.560 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.560 6.460 0.796 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.680 4.092 1.029 1.00 0.00 C ATOM 0 H LEU A 53 3.623 5.045 3.914 1.00 0.00 H new ATOM 0 HA LEU A 53 2.521 2.843 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.773 5.434 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.316 4.244 0.539 1.00 0.00 H new ATOM 0 HG LEU A 53 1.384 5.344 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.531 6.818 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.214 7.199 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.863 6.306 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.332 4.497 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.945 3.832 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.727 3.200 1.653 1.00 0.00 H new ATOM 815 N THR A 54 5.761 3.222 2.104 1.00 0.00 N ATOM 816 CA THR A 54 6.973 2.513 1.732 1.00 0.00 C ATOM 817 C THR A 54 7.094 1.211 2.525 1.00 0.00 C ATOM 818 O THR A 54 7.425 0.167 1.965 1.00 0.00 O ATOM 819 CB THR A 54 8.157 3.461 1.936 1.00 0.00 C ATOM 820 OG1 THR A 54 8.991 3.222 0.805 1.00 0.00 O ATOM 821 CG2 THR A 54 9.026 3.064 3.131 1.00 0.00 C ATOM 0 H THR A 54 5.897 4.205 2.339 1.00 0.00 H new ATOM 0 HA THR A 54 6.952 2.217 0.683 1.00 0.00 H new ATOM 0 HB THR A 54 7.789 4.477 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.783 3.797 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.851 3.769 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.424 3.079 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.423 2.061 2.975 1.00 0.00 H new ATOM 829 N LYS A 55 6.820 1.315 3.818 1.00 0.00 N ATOM 830 CA LYS A 55 6.894 0.158 4.694 1.00 0.00 C ATOM 831 C LYS A 55 5.908 -0.907 4.210 1.00 0.00 C ATOM 832 O LYS A 55 6.313 -1.998 3.812 1.00 0.00 O ATOM 833 CB LYS A 55 6.683 0.575 6.151 1.00 0.00 C ATOM 834 CG LYS A 55 8.021 0.726 6.877 1.00 0.00 C ATOM 835 CD LYS A 55 7.888 1.658 8.084 1.00 0.00 C ATOM 836 CE LYS A 55 8.950 1.342 9.139 1.00 0.00 C ATOM 837 NZ LYS A 55 8.311 0.936 10.411 1.00 0.00 N ATOM 0 H LYS A 55 6.547 2.183 4.279 1.00 0.00 H new ATOM 0 HA LYS A 55 7.888 -0.287 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.137 1.518 6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.070 -0.169 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.373 -0.252 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.769 1.120 6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.988 2.694 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.894 1.555 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.601 0.544 8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.579 2.217 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.045 0.725 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.708 1.709 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.730 0.088 10.252 1.00 0.00 H new ATOM 851 N GLN A 56 4.632 -0.553 4.261 1.00 0.00 N ATOM 852 CA GLN A 56 3.585 -1.464 3.832 1.00 0.00 C ATOM 853 C GLN A 56 3.973 -2.137 2.514 1.00 0.00 C ATOM 854 O GLN A 56 3.923 -3.361 2.400 1.00 0.00 O ATOM 855 CB GLN A 56 2.245 -0.738 3.703 1.00 0.00 C ATOM 856 CG GLN A 56 1.742 -0.268 5.069 1.00 0.00 C ATOM 857 CD GLN A 56 1.820 -1.396 6.100 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.733 -1.472 6.907 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.816 -2.265 6.029 1.00 0.00 N ATOM 0 H GLN A 56 4.300 0.352 4.593 1.00 0.00 H new ATOM 0 HA GLN A 56 3.470 -2.237 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.354 0.118 3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.510 -1.403 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.337 0.580 5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.712 0.079 4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.084 -2.143 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.778 -3.054 6.674 1.00 0.00 H new ATOM 868 N LEU A 57 4.351 -1.308 1.552 1.00 0.00 N ATOM 869 CA LEU A 57 4.748 -1.808 0.247 1.00 0.00 C ATOM 870 C LEU A 57 5.851 -2.854 0.420 1.00 0.00 C ATOM 871 O LEU A 57 5.704 -3.994 -0.018 1.00 0.00 O ATOM 872 CB LEU A 57 5.137 -0.650 -0.674 1.00 0.00 C ATOM 873 CG LEU A 57 5.821 -1.038 -1.987 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.312 -1.304 -1.771 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.115 -2.227 -2.642 1.00 0.00 C ATOM 0 H LEU A 57 4.391 -0.294 1.650 1.00 0.00 H new ATOM 0 HA LEU A 57 3.910 -2.306 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.237 -0.082 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.801 0.018 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 57 5.741 -0.197 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.774 -1.578 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.789 -0.405 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.437 -2.119 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.621 -2.483 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.142 -3.083 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.078 -1.964 -2.853 1.00 0.00 H new ATOM 887 N PHE A 58 6.931 -2.429 1.058 1.00 0.00 N ATOM 888 CA PHE A 58 8.059 -3.314 1.294 1.00 0.00 C ATOM 889 C PHE A 58 7.592 -4.658 1.857 1.00 0.00 C ATOM 890 O PHE A 58 8.249 -5.679 1.661 1.00 0.00 O ATOM 891 CB PHE A 58 8.958 -2.628 2.324 1.00 0.00 C ATOM 892 CG PHE A 58 10.453 -2.877 2.109 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.981 -4.105 2.358 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.253 -1.869 1.668 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.368 -4.336 2.158 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.640 -2.100 1.468 1.00 0.00 C ATOM 897 CZ PHE A 58 13.168 -3.328 1.717 1.00 0.00 C ATOM 0 H PHE A 58 7.049 -1.482 1.419 1.00 0.00 H new ATOM 0 HA PHE A 58 8.585 -3.505 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.771 -1.554 2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.682 -2.974 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.345 -4.905 2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.834 -0.894 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.787 -5.311 2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.276 -1.300 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.223 -3.503 1.565 1.00 0.00 H new ATOM 907 N GLU A 59 6.460 -4.615 2.544 1.00 0.00 N ATOM 908 CA GLU A 59 5.898 -5.816 3.137 1.00 0.00 C ATOM 909 C GLU A 59 5.167 -6.640 2.074 1.00 0.00 C ATOM 910 O GLU A 59 5.136 -7.867 2.148 1.00 0.00 O ATOM 911 CB GLU A 59 4.965 -5.470 4.299 1.00 0.00 C ATOM 912 CG GLU A 59 5.721 -5.476 5.629 1.00 0.00 C ATOM 913 CD GLU A 59 5.462 -6.772 6.400 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.292 -7.210 6.397 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.441 -7.295 6.975 1.00 0.00 O ATOM 0 H GLU A 59 5.917 -3.767 2.703 1.00 0.00 H new ATOM 0 HA GLU A 59 6.715 -6.416 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.521 -4.489 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.146 -6.188 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.790 -5.365 5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.411 -4.622 6.231 1.00 0.00 H new ATOM 922 N ILE A 60 4.597 -5.931 1.110 1.00 0.00 N ATOM 923 CA ILE A 60 3.869 -6.581 0.034 1.00 0.00 C ATOM 924 C ILE A 60 4.822 -7.488 -0.746 1.00 0.00 C ATOM 925 O ILE A 60 4.515 -8.654 -0.992 1.00 0.00 O ATOM 926 CB ILE A 60 3.158 -5.543 -0.836 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.191 -4.699 -0.003 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.462 -6.207 -2.025 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.441 -3.697 -0.882 1.00 0.00 C ATOM 0 H ILE A 60 4.625 -4.913 1.052 1.00 0.00 H new ATOM 0 HA ILE A 60 3.082 -7.217 0.438 1.00 0.00 H new ATOM 0 HB ILE A 60 3.909 -4.865 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.478 -5.350 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.742 -4.167 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.965 -5.446 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.201 -6.727 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.724 -6.922 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.760 -3.110 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.156 -3.032 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.872 -4.234 -1.641 1.00 0.00 H new ATOM 941 N ASP A 61 5.961 -6.919 -1.114 1.00 0.00 N ATOM 942 CA ASP A 61 6.961 -7.662 -1.862 1.00 0.00 C ATOM 943 C ASP A 61 7.410 -8.872 -1.041 1.00 0.00 C ATOM 944 O ASP A 61 7.788 -9.901 -1.600 1.00 0.00 O ATOM 945 CB ASP A 61 8.193 -6.798 -2.142 1.00 0.00 C ATOM 946 CG ASP A 61 9.124 -7.335 -3.231 1.00 0.00 C ATOM 947 OD1 ASP A 61 8.779 -7.146 -4.417 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.161 -7.922 -2.852 1.00 0.00 O ATOM 0 H ASP A 61 6.213 -5.952 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 61 6.515 -7.972 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.861 -5.800 -2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.762 -6.692 -1.218 1.00 0.00 H new ATOM 953 N SER A 62 7.354 -8.710 0.273 1.00 0.00 N ATOM 954 CA SER A 62 7.750 -9.777 1.177 1.00 0.00 C ATOM 955 C SER A 62 6.820 -10.980 1.006 1.00 0.00 C ATOM 956 O SER A 62 7.266 -12.125 1.054 1.00 0.00 O ATOM 957 CB SER A 62 7.740 -9.300 2.630 1.00 0.00 C ATOM 958 OG SER A 62 9.003 -9.488 3.263 1.00 0.00 O ATOM 0 H SER A 62 7.040 -7.856 0.733 1.00 0.00 H new ATOM 0 HA SER A 62 8.768 -10.075 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.472 -8.244 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.973 -9.841 3.184 1.00 0.00 H new ATOM 0 HG SER A 62 8.956 -9.169 4.189 1.00 0.00 H new ATOM 964 N VAL A 63 5.545 -10.678 0.810 1.00 0.00 N ATOM 965 CA VAL A 63 4.548 -11.720 0.632 1.00 0.00 C ATOM 966 C VAL A 63 4.915 -12.568 -0.587 1.00 0.00 C ATOM 967 O VAL A 63 4.859 -12.091 -1.719 1.00 0.00 O ATOM 968 CB VAL A 63 3.154 -11.098 0.530 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.191 -12.030 -0.209 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.612 -10.736 1.914 1.00 0.00 C ATOM 0 H VAL A 63 5.179 -9.727 0.771 1.00 0.00 H new ATOM 0 HA VAL A 63 4.531 -12.384 1.496 1.00 0.00 H new ATOM 0 HB VAL A 63 3.240 -10.177 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.207 -11.564 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.565 -12.216 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.114 -12.975 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.620 -10.296 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.549 -11.635 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.280 -10.019 2.390 1.00 0.00 H new ATOM 980 N ASP A 64 5.283 -13.811 -0.314 1.00 0.00 N ATOM 981 CA ASP A 64 5.659 -14.730 -1.375 1.00 0.00 C ATOM 982 C ASP A 64 4.396 -15.286 -2.035 1.00 0.00 C ATOM 983 O ASP A 64 3.614 -15.987 -1.395 1.00 0.00 O ATOM 984 CB ASP A 64 6.462 -15.910 -0.823 1.00 0.00 C ATOM 985 CG ASP A 64 7.273 -16.684 -1.864 1.00 0.00 C ATOM 986 OD1 ASP A 64 8.320 -16.145 -2.283 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.827 -17.797 -2.217 1.00 0.00 O ATOM 0 H ASP A 64 5.329 -14.203 0.626 1.00 0.00 H new ATOM 0 HA ASP A 64 6.269 -14.183 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.143 -15.540 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.775 -16.600 -0.333 1.00 0.00 H new ATOM 992 N THR A 65 4.235 -14.951 -3.307 1.00 0.00 N ATOM 993 CA THR A 65 3.079 -15.407 -4.060 1.00 0.00 C ATOM 994 C THR A 65 3.331 -16.806 -4.627 1.00 0.00 C ATOM 995 O THR A 65 2.398 -17.483 -5.056 1.00 0.00 O ATOM 996 CB THR A 65 2.773 -14.363 -5.135 1.00 0.00 C ATOM 997 OG1 THR A 65 3.822 -14.526 -6.086 1.00 0.00 O ATOM 998 CG2 THR A 65 2.950 -12.930 -4.627 1.00 0.00 C ATOM 0 H THR A 65 4.886 -14.369 -3.835 1.00 0.00 H new ATOM 0 HA THR A 65 2.202 -15.502 -3.420 1.00 0.00 H new ATOM 0 HB THR A 65 1.752 -14.498 -5.492 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.004 -13.668 -6.523 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.720 -12.229 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.276 -12.755 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.980 -12.784 -4.301 1.00 0.00 H new ATOM 1006 N GLU A 66 4.596 -17.198 -4.609 1.00 0.00 N ATOM 1007 CA GLU A 66 4.982 -18.505 -5.115 1.00 0.00 C ATOM 1008 C GLU A 66 4.181 -18.844 -6.374 1.00 0.00 C ATOM 1009 O GLU A 66 3.674 -19.956 -6.510 1.00 0.00 O ATOM 1010 CB GLU A 66 4.803 -19.582 -4.044 1.00 0.00 C ATOM 1011 CG GLU A 66 6.007 -20.526 -4.010 1.00 0.00 C ATOM 1012 CD GLU A 66 5.584 -21.939 -3.601 1.00 0.00 C ATOM 1013 OE1 GLU A 66 4.790 -22.536 -4.360 1.00 0.00 O ATOM 1014 OE2 GLU A 66 6.065 -22.390 -2.539 1.00 0.00 O ATOM 0 H GLU A 66 5.367 -16.634 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 66 6.039 -18.474 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.677 -19.113 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.895 -20.151 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.480 -20.554 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.751 -20.148 -3.309 1.00 0.00 H new ATOM 1021 N GLY A 67 4.092 -17.865 -7.262 1.00 0.00 N ATOM 1022 CA GLY A 67 3.361 -18.045 -8.504 1.00 0.00 C ATOM 1023 C GLY A 67 2.091 -18.868 -8.279 1.00 0.00 C ATOM 1024 O GLY A 67 1.919 -19.929 -8.878 1.00 0.00 O ATOM 0 H GLY A 67 4.514 -16.944 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.099 -17.072 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.997 -18.544 -9.235 1.00 0.00 H new ATOM 1028 N LYS A 68 1.233 -18.348 -7.413 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.016 -19.022 -7.101 1.00 0.00 C ATOM 1030 C LYS A 68 -1.166 -18.311 -7.817 1.00 0.00 C ATOM 1031 O LYS A 68 -2.230 -18.894 -8.021 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.205 -19.125 -5.586 1.00 0.00 C ATOM 1033 CG LYS A 68 0.908 -19.962 -4.951 1.00 0.00 C ATOM 1034 CD LYS A 68 0.844 -19.890 -3.424 1.00 0.00 C ATOM 1035 CE LYS A 68 0.946 -21.285 -2.805 1.00 0.00 C ATOM 1036 NZ LYS A 68 -0.159 -22.146 -3.282 1.00 0.00 N ATOM 0 H LYS A 68 1.378 -17.468 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 68 0.003 -20.048 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.210 -18.127 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.173 -19.574 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.817 -20.999 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.878 -19.604 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.654 -19.263 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.090 -19.420 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.904 -21.735 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.913 -21.210 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.432 -22.810 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.976 -21.554 -3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.153 -22.680 -4.118 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.914 -17.061 -8.178 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.915 -16.265 -8.867 1.00 0.00 C ATOM 1052 C GLY A 69 -2.846 -15.572 -7.869 1.00 0.00 C ATOM 1053 O GLY A 69 -3.071 -14.366 -7.959 1.00 0.00 O ATOM 0 H GLY A 69 -0.031 -16.580 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.424 -15.518 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.498 -16.903 -9.531 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.361 -16.365 -6.941 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.262 -15.843 -5.928 1.00 0.00 C ATOM 1059 C ASP A 70 -3.643 -14.595 -5.294 1.00 0.00 C ATOM 1060 O ASP A 70 -4.245 -13.523 -5.311 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.497 -16.869 -4.818 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.280 -18.113 -5.243 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.474 -17.947 -5.574 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -4.667 -19.203 -5.228 1.00 0.00 O ATOM 0 H ASP A 70 -3.172 -17.365 -6.869 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.211 -15.609 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.531 -17.183 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.031 -16.383 -4.002 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.449 -14.777 -4.751 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.741 -13.680 -4.113 1.00 0.00 C ATOM 1071 C ILE A 71 -1.174 -12.751 -5.189 1.00 0.00 C ATOM 1072 O ILE A 71 -1.441 -11.550 -5.180 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.686 -14.214 -3.143 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.337 -14.992 -1.998 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.211 -13.085 -2.632 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.451 -16.157 -1.553 1.00 0.00 C ATOM 0 H ILE A 71 -1.953 -15.668 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.425 -13.087 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.047 -14.912 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.516 -14.324 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.308 -15.370 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.952 -13.492 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.718 -12.613 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.397 -12.344 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.937 -16.693 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.294 -16.836 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.511 -15.773 -1.212 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.403 -13.342 -6.089 1.00 0.00 N ATOM 1089 CA GLN A 72 0.204 -12.583 -7.169 1.00 0.00 C ATOM 1090 C GLN A 72 -0.772 -11.525 -7.688 1.00 0.00 C ATOM 1091 O GLN A 72 -0.356 -10.468 -8.160 1.00 0.00 O ATOM 1092 CB GLN A 72 0.664 -13.507 -8.298 1.00 0.00 C ATOM 1093 CG GLN A 72 2.133 -13.258 -8.647 1.00 0.00 C ATOM 1094 CD GLN A 72 2.266 -12.608 -10.026 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.196 -13.257 -11.056 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.462 -11.293 -9.987 1.00 0.00 N ATOM 0 H GLN A 72 -0.184 -14.338 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 72 1.086 -12.075 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.529 -14.547 -8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.045 -13.345 -9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.586 -12.615 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.679 -14.201 -8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.510 -10.811 -9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.564 -10.767 -10.855 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.053 -11.847 -7.585 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.092 -10.939 -8.038 1.00 0.00 C ATOM 1107 C GLN A 73 -3.275 -9.798 -7.035 1.00 0.00 C ATOM 1108 O GLN A 73 -3.136 -8.628 -7.388 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.409 -11.683 -8.269 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.648 -11.927 -9.760 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.771 -12.943 -9.977 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.724 -14.069 -9.510 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.782 -12.484 -10.709 1.00 0.00 N ATOM 0 H GLN A 73 -2.395 -12.725 -7.194 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.783 -10.512 -8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.390 -12.636 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.235 -11.105 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.904 -10.987 -10.249 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.731 -12.289 -10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.759 -11.530 -11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.581 -13.086 -10.909 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.585 -10.179 -5.804 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.788 -9.203 -4.747 1.00 0.00 C ATOM 1124 C ALA A 74 -2.484 -8.439 -4.508 1.00 0.00 C ATOM 1125 O ALA A 74 -2.490 -7.213 -4.401 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.289 -9.912 -3.487 1.00 0.00 C ATOM 0 H ALA A 74 -3.700 -11.150 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.548 -8.476 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.441 -9.180 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.232 -10.415 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.551 -10.647 -3.165 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.398 -9.194 -4.429 1.00 0.00 N ATOM 1133 CA ARG A 75 -0.090 -8.603 -4.204 1.00 0.00 C ATOM 1134 C ARG A 75 0.154 -7.462 -5.193 1.00 0.00 C ATOM 1135 O ARG A 75 0.134 -6.292 -4.815 1.00 0.00 O ATOM 1136 CB ARG A 75 1.019 -9.646 -4.355 1.00 0.00 C ATOM 1137 CG ARG A 75 2.050 -9.516 -3.233 1.00 0.00 C ATOM 1138 CD ARG A 75 3.461 -9.345 -3.801 1.00 0.00 C ATOM 1139 NE ARG A 75 4.241 -10.587 -3.599 1.00 0.00 N ATOM 1140 CZ ARG A 75 5.452 -10.807 -4.129 1.00 0.00 C ATOM 1141 NH1 ARG A 75 6.029 -9.871 -4.895 1.00 0.00 N ATOM 1142 NH2 ARG A 75 6.087 -11.963 -3.892 1.00 0.00 N ATOM 0 H ARG A 75 -1.397 -10.210 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.072 -8.215 -3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.586 -10.646 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.510 -9.523 -5.321 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.802 -8.662 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.015 -10.401 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.408 -9.108 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.960 -8.508 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 75 3.831 -11.321 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.546 -8.991 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.951 -10.039 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.649 -12.675 -3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.009 -12.131 -4.295 1.00 0.00 H new ATOM 1156 N LYS A 76 0.380 -7.843 -6.442 1.00 0.00 N ATOM 1157 CA LYS A 76 0.628 -6.866 -7.489 1.00 0.00 C ATOM 1158 C LYS A 76 -0.438 -5.770 -7.422 1.00 0.00 C ATOM 1159 O LYS A 76 -0.190 -4.633 -7.819 1.00 0.00 O ATOM 1160 CB LYS A 76 0.717 -7.553 -8.853 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.668 -7.973 -9.348 1.00 0.00 C ATOM 1162 CD LYS A 76 -1.209 -6.976 -10.375 1.00 0.00 C ATOM 1163 CE LYS A 76 -1.837 -7.702 -11.566 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.795 -6.817 -12.266 1.00 0.00 N ATOM 0 H LYS A 76 0.397 -8.814 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 76 1.593 -6.383 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.175 -6.877 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.362 -8.429 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.613 -8.966 -9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.355 -8.040 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.952 -6.331 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.401 -6.332 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.057 -8.022 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.348 -8.602 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.980 -7.190 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.686 -6.778 -11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.393 -5.861 -12.340 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.602 -6.152 -6.916 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.706 -5.216 -6.791 1.00 0.00 C ATOM 1180 C ARG A 77 -2.479 -4.282 -5.600 1.00 0.00 C ATOM 1181 O ARG A 77 -2.861 -3.114 -5.641 1.00 0.00 O ATOM 1182 CB ARG A 77 -4.034 -5.953 -6.606 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.695 -6.238 -7.956 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.346 -4.976 -8.526 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.353 -5.032 -10.005 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.993 -4.154 -10.787 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -6.684 -3.146 -10.237 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.944 -4.283 -12.120 1.00 0.00 N ATOM 0 H ARG A 77 -1.804 -7.096 -6.588 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.752 -4.633 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.863 -6.890 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.703 -5.354 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.950 -6.616 -8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.447 -7.018 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.366 -4.883 -8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.802 -4.093 -8.190 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.838 -5.787 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.722 -3.048 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.172 -2.477 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.419 -5.050 -12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.432 -3.614 -12.715 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.858 -4.833 -4.567 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.576 -4.064 -3.367 1.00 0.00 C ATOM 1204 C ALA A 78 -0.315 -3.227 -3.588 1.00 0.00 C ATOM 1205 O ALA A 78 -0.201 -2.120 -3.065 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.445 -5.012 -2.173 1.00 0.00 C ATOM 0 H ALA A 78 -1.542 -5.802 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.394 -3.377 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.233 -4.436 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.377 -5.562 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.631 -5.714 -2.354 1.00 0.00 H new ATOM 1212 N ALA A 79 0.601 -3.788 -4.364 1.00 0.00 N ATOM 1213 CA ALA A 79 1.850 -3.107 -4.661 1.00 0.00 C ATOM 1214 C ALA A 79 1.547 -1.762 -5.325 1.00 0.00 C ATOM 1215 O ALA A 79 2.116 -0.738 -4.950 1.00 0.00 O ATOM 1216 CB ALA A 79 2.726 -4.005 -5.536 1.00 0.00 C ATOM 0 H ALA A 79 0.503 -4.707 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 79 2.404 -2.905 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.663 -3.494 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.937 -4.935 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.204 -4.227 -6.467 1.00 0.00 H new ATOM 1222 N GLN A 80 0.650 -1.808 -6.299 1.00 0.00 N ATOM 1223 CA GLN A 80 0.265 -0.607 -7.019 1.00 0.00 C ATOM 1224 C GLN A 80 -0.540 0.323 -6.109 1.00 0.00 C ATOM 1225 O GLN A 80 -0.344 1.537 -6.125 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.524 -0.954 -8.283 1.00 0.00 C ATOM 1227 CG GLN A 80 0.362 -1.671 -9.304 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.416 -1.981 -10.584 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -0.717 -3.121 -10.897 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -0.724 -0.906 -11.304 1.00 0.00 N ATOM 0 H GLN A 80 0.179 -2.659 -6.606 1.00 0.00 H new ATOM 0 HA GLN A 80 1.172 -0.086 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.372 -1.588 -8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.929 -0.043 -8.724 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.226 -1.050 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.744 -2.597 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.441 0.020 -10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.243 -1.008 -12.176 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.429 -0.283 -5.335 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.264 0.475 -4.420 1.00 0.00 C ATOM 1241 C GLU A 81 -1.406 1.419 -3.576 1.00 0.00 C ATOM 1242 O GLU A 81 -1.554 2.638 -3.658 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.089 -0.458 -3.530 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.547 -0.507 -3.990 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.671 -1.209 -5.344 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -3.975 -0.762 -6.281 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.460 -2.176 -5.412 1.00 0.00 O ATOM 0 H GLU A 81 -1.589 -1.290 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.960 1.075 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.662 -1.461 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.041 -0.116 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.149 -1.031 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.943 0.506 -4.064 1.00 0.00 H new ATOM 1254 N THR A 82 -0.527 0.821 -2.785 1.00 0.00 N ATOM 1255 CA THR A 82 0.355 1.594 -1.927 1.00 0.00 C ATOM 1256 C THR A 82 0.986 2.747 -2.711 1.00 0.00 C ATOM 1257 O THR A 82 0.759 3.914 -2.396 1.00 0.00 O ATOM 1258 CB THR A 82 1.384 0.637 -1.322 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.610 -0.220 -0.486 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.338 1.339 -0.354 1.00 0.00 C ATOM 0 H THR A 82 -0.407 -0.190 -2.720 1.00 0.00 H new ATOM 0 HA THR A 82 -0.197 2.060 -1.111 1.00 0.00 H new ATOM 0 HB THR A 82 1.958 0.168 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.198 -0.874 -0.055 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.047 0.615 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.880 2.124 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.768 1.779 0.464 1.00 0.00 H new ATOM 1268 N GLU A 83 1.765 2.379 -3.718 1.00 0.00 N ATOM 1269 CA GLU A 83 2.430 3.368 -4.549 1.00 0.00 C ATOM 1270 C GLU A 83 1.435 4.441 -4.997 1.00 0.00 C ATOM 1271 O GLU A 83 1.721 5.634 -4.909 1.00 0.00 O ATOM 1272 CB GLU A 83 3.103 2.708 -5.754 1.00 0.00 C ATOM 1273 CG GLU A 83 4.093 1.631 -5.307 1.00 0.00 C ATOM 1274 CD GLU A 83 5.535 2.130 -5.422 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.784 2.938 -6.342 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.355 1.691 -4.587 1.00 0.00 O ATOM 0 H GLU A 83 1.950 1.410 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 83 3.209 3.847 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.346 2.265 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.623 3.463 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.884 1.346 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.964 0.737 -5.918 1.00 0.00 H new ATOM 1283 N ARG A 84 0.286 3.978 -5.467 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.753 4.883 -5.929 1.00 0.00 C ATOM 1285 C ARG A 84 -0.855 6.092 -4.998 1.00 0.00 C ATOM 1286 O ARG A 84 -0.664 7.229 -5.428 1.00 0.00 O ATOM 1287 CB ARG A 84 -2.110 4.178 -5.989 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.806 4.442 -7.326 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.682 5.694 -7.250 1.00 0.00 C ATOM 1290 NE ARG A 84 -3.483 6.525 -8.458 1.00 0.00 N ATOM 1291 CZ ARG A 84 -3.856 7.808 -8.557 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.450 8.415 -7.521 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -3.636 8.485 -9.693 1.00 0.00 N ATOM 0 H ARG A 84 0.052 2.988 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.484 5.214 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.973 3.105 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.741 4.526 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.060 4.563 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.418 3.582 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.731 5.409 -7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.433 6.269 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.034 6.094 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.618 7.900 -6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.734 9.392 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.184 8.023 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.920 9.462 -9.768 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.156 5.807 -3.740 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.286 6.858 -2.744 1.00 0.00 C ATOM 1309 C LEU A 85 0.010 7.670 -2.695 1.00 0.00 C ATOM 1310 O LEU A 85 -0.023 8.899 -2.725 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.694 6.268 -1.393 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.185 6.331 -1.056 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.727 7.751 -1.232 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.975 5.309 -1.876 1.00 0.00 C ATOM 0 H LEU A 85 -1.314 4.863 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.085 7.547 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.379 5.225 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.143 6.789 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.310 6.067 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.789 7.768 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.190 8.430 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.589 8.068 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.032 5.374 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.847 5.518 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.609 4.306 -1.657 1.00 0.00 H new ATOM 1326 N LEU A 86 1.120 6.950 -2.620 1.00 0.00 N ATOM 1327 CA LEU A 86 2.424 7.589 -2.566 1.00 0.00 C ATOM 1328 C LEU A 86 2.456 8.758 -3.553 1.00 0.00 C ATOM 1329 O LEU A 86 2.613 9.910 -3.151 1.00 0.00 O ATOM 1330 CB LEU A 86 3.534 6.561 -2.794 1.00 0.00 C ATOM 1331 CG LEU A 86 4.508 6.357 -1.632 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.386 5.125 -1.862 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.341 7.617 -1.387 1.00 0.00 C ATOM 0 H LEU A 86 1.143 5.931 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 86 2.604 8.004 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.071 5.602 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.105 6.861 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 86 3.927 6.174 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.069 5.003 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.756 4.240 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.960 5.253 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.025 7.445 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.913 7.855 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.680 8.449 -1.146 1.00 0.00 H new ATOM 1345 N LYS A 87 2.304 8.420 -4.825 1.00 0.00 N ATOM 1346 CA LYS A 87 2.314 9.427 -5.873 1.00 0.00 C ATOM 1347 C LYS A 87 1.474 10.626 -5.429 1.00 0.00 C ATOM 1348 O LYS A 87 1.973 11.748 -5.361 1.00 0.00 O ATOM 1349 CB LYS A 87 1.865 8.820 -7.203 1.00 0.00 C ATOM 1350 CG LYS A 87 2.924 7.863 -7.754 1.00 0.00 C ATOM 1351 CD LYS A 87 3.110 8.058 -9.260 1.00 0.00 C ATOM 1352 CE LYS A 87 4.450 7.487 -9.726 1.00 0.00 C ATOM 1353 NZ LYS A 87 4.971 8.258 -10.876 1.00 0.00 N ATOM 0 H LYS A 87 2.173 7.463 -5.154 1.00 0.00 H new ATOM 0 HA LYS A 87 3.327 9.792 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.925 8.287 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.677 9.615 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.872 8.030 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.630 6.833 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.296 7.570 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.059 9.120 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.168 7.515 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.328 6.441 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.881 7.857 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.292 8.210 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.106 9.250 -10.596 1.00 0.00 H new ATOM 1367 N GLU A 88 0.211 10.348 -5.139 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.703 11.390 -4.703 1.00 0.00 C ATOM 1369 C GLU A 88 -0.054 12.246 -3.614 1.00 0.00 C ATOM 1370 O GLU A 88 -0.125 13.473 -3.658 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.024 10.792 -4.215 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.774 10.111 -5.362 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.946 10.972 -5.838 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.731 11.397 -4.963 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -4.030 11.186 -7.067 1.00 0.00 O ATOM 0 H GLU A 88 -0.200 9.417 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.925 12.031 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.829 10.069 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.646 11.577 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.090 9.930 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.142 9.139 -5.034 1.00 0.00 H new ATOM 1382 N LEU A 89 0.566 11.564 -2.662 1.00 0.00 N ATOM 1383 CA LEU A 89 1.228 12.247 -1.563 1.00 0.00 C ATOM 1384 C LEU A 89 1.983 13.463 -2.104 1.00 0.00 C ATOM 1385 O LEU A 89 1.579 14.602 -1.872 1.00 0.00 O ATOM 1386 CB LEU A 89 2.112 11.272 -0.782 1.00 0.00 C ATOM 1387 CG LEU A 89 2.487 11.699 0.639 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.270 12.246 1.387 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.157 10.551 1.397 1.00 0.00 C ATOM 0 H LEU A 89 0.624 10.546 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 89 0.494 12.619 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.600 10.311 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.031 11.113 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 89 3.214 12.509 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.565 12.542 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.875 13.112 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.502 11.475 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.414 10.881 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.472 9.705 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.063 10.249 0.872 1.00 0.00 H new ATOM 1401 N GLU A 90 3.064 13.180 -2.815 1.00 0.00 N ATOM 1402 CA GLU A 90 3.879 14.236 -3.391 1.00 0.00 C ATOM 1403 C GLU A 90 2.990 15.368 -3.910 1.00 0.00 C ATOM 1404 O GLU A 90 3.090 16.503 -3.447 1.00 0.00 O ATOM 1405 CB GLU A 90 4.778 13.691 -4.502 1.00 0.00 C ATOM 1406 CG GLU A 90 6.154 13.307 -3.955 1.00 0.00 C ATOM 1407 CD GLU A 90 7.257 13.637 -4.964 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.991 13.461 -6.173 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.340 14.056 -4.504 1.00 0.00 O ATOM 0 H GLU A 90 3.395 12.234 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 90 4.526 14.637 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.309 12.820 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.890 14.441 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.339 13.838 -3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.174 12.242 -3.725 1.00 0.00 H new ATOM 1416 N GLN A 91 2.141 15.020 -4.866 1.00 0.00 N ATOM 1417 CA GLN A 91 1.236 15.993 -5.453 1.00 0.00 C ATOM 1418 C GLN A 91 0.455 16.721 -4.357 1.00 0.00 C ATOM 1419 O GLN A 91 0.607 17.929 -4.180 1.00 0.00 O ATOM 1420 CB GLN A 91 0.287 15.326 -6.451 1.00 0.00 C ATOM 1421 CG GLN A 91 0.441 15.936 -7.846 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.371 15.152 -8.880 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -1.285 14.412 -8.558 1.00 0.00 O ATOM 1424 NE2 GLN A 91 0.014 15.356 -10.137 1.00 0.00 N ATOM 0 H GLN A 91 2.061 14.078 -5.248 1.00 0.00 H new ATOM 0 HA GLN A 91 1.828 16.728 -5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.491 14.256 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.742 15.441 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.111 16.975 -7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.493 15.940 -8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.788 15.990 -10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.465 14.879 -10.901 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.363 15.956 -3.650 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.168 16.513 -2.576 1.00 0.00 C ATOM 1435 C ASN A 92 -0.333 17.530 -1.795 1.00 0.00 C ATOM 1436 O ASN A 92 -0.764 18.664 -1.587 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.617 15.423 -1.602 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.142 15.298 -1.584 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.822 15.802 -0.706 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.639 14.599 -2.601 1.00 0.00 N ATOM 0 H ASN A 92 -0.486 14.955 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.045 16.983 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.174 14.469 -1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.256 15.654 -0.600 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.646 14.458 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.013 14.204 -3.303 1.00 0.00 H new ATOM 1447 N ALA A 93 0.846 17.089 -1.382 1.00 0.00 N ATOM 1448 CA ALA A 93 1.744 17.946 -0.628 1.00 0.00 C ATOM 1449 C ALA A 93 1.714 19.356 -1.221 1.00 0.00 C ATOM 1450 O ALA A 93 0.992 20.224 -0.732 1.00 0.00 O ATOM 1451 CB ALA A 93 3.150 17.342 -0.632 1.00 0.00 C ATOM 0 H ALA A 93 1.200 16.148 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 93 1.423 18.018 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.824 17.985 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.123 16.353 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.506 17.257 -1.659 1.00 0.00 H new ATOM 1457 N SER A 94 2.506 19.541 -2.267 1.00 0.00 N ATOM 1458 CA SER A 94 2.579 20.831 -2.932 1.00 0.00 C ATOM 1459 C SER A 94 3.340 20.697 -4.253 1.00 0.00 C ATOM 1460 O SER A 94 2.746 20.789 -5.326 1.00 0.00 O ATOM 1461 CB SER A 94 3.251 21.875 -2.037 1.00 0.00 C ATOM 1462 OG SER A 94 2.821 23.198 -2.345 1.00 0.00 O ATOM 0 H SER A 94 3.103 18.819 -2.670 1.00 0.00 H new ATOM 0 HA SER A 94 1.563 21.167 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.028 21.655 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.333 21.809 -2.153 1.00 0.00 H new ATOM 0 HG SER A 94 3.271 23.835 -1.751 1.00 0.00 H new