USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 54 LYS NZ :NH3+ -159:sc= -0.0101 (180deg=-0.178) USER MOD Set 1.2: A 70 ASN : amide:sc= -2 X(o=-2,f=-1.9!) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= 0.491 F(o=0.83,f=1.4) USER MOD Set 2.2: A 29 THR OG1 : rot -72:sc= 0.902 USER MOD Single : A 14 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -56:sc= 1.29 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0569 F(o=-1.8!,f=-0.057) USER MOD Single : A 27 MET CE :methyl 159:sc= -0.215 (180deg=-0.816) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -114:sc= 1.18 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc=0.000422 USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -0.0363 (180deg=-0.33) USER MOD Single : A 55 ASN : amide:sc= -2.22! C(o=-2.2!,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= 0.0377 (180deg=0) USER MOD Single : A 64 TYR OH : rot 35:sc= -1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -110:sc= 0.574 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00429) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.645 -0.410 5.102 1.00 0.00 N ATOM 143 CA LEU A 13 7.386 0.259 5.411 1.00 0.00 C ATOM 144 C LEU A 13 6.702 -0.392 6.609 1.00 0.00 C ATOM 145 O LEU A 13 6.645 -1.617 6.713 1.00 0.00 O ATOM 146 CB LEU A 13 6.454 0.231 4.198 1.00 0.00 C ATOM 147 CG LEU A 13 7.003 0.914 2.944 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.605 0.141 1.696 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.512 2.351 2.862 1.00 0.00 C ATOM 0 HA LEU A 13 7.609 1.296 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.227 -0.808 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.513 0.708 4.471 1.00 0.00 H new ATOM 0 HG LEU A 13 8.091 0.925 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.005 0.642 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.007 -0.871 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.518 0.097 1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.912 2.822 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.423 2.362 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.849 2.901 3.741 1.00 0.00 H new ATOM 161 N HIS A 14 6.186 0.435 7.512 1.00 0.00 N ATOM 162 CA HIS A 14 5.507 -0.062 8.704 1.00 0.00 C ATOM 163 C HIS A 14 4.024 0.294 8.673 1.00 0.00 C ATOM 164 O HIS A 14 3.168 -0.585 8.570 1.00 0.00 O ATOM 165 CB HIS A 14 6.155 0.515 9.964 1.00 0.00 C ATOM 166 CG HIS A 14 5.986 -0.350 11.174 1.00 0.00 C ATOM 167 ND1 HIS A 14 5.615 0.125 12.412 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.142 -1.691 11.320 1.00 0.00 C ATOM 169 CE1 HIS A 14 5.560 -0.917 13.254 1.00 0.00 C ATOM 170 NE2 HIS A 14 5.871 -2.042 12.639 1.00 0.00 N ATOM 0 H HIS A 14 6.225 1.452 7.442 1.00 0.00 H new ATOM 0 HA HIS A 14 5.602 -1.148 8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.219 0.664 9.780 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.726 1.496 10.166 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.431 -2.376 10.537 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.296 -0.845 14.299 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.906 -2.976 13.046 1.00 0.00 H new ATOM 178 N GLU A 15 3.727 1.586 8.762 1.00 0.00 N ATOM 179 CA GLU A 15 2.348 2.058 8.743 1.00 0.00 C ATOM 180 C GLU A 15 2.292 3.581 8.815 1.00 0.00 C ATOM 181 O GLU A 15 3.187 4.220 9.367 1.00 0.00 O ATOM 182 CB GLU A 15 1.562 1.448 9.908 1.00 0.00 C ATOM 183 CG GLU A 15 0.212 0.881 9.500 1.00 0.00 C ATOM 184 CD GLU A 15 -0.845 1.064 10.571 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.141 2.226 10.920 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.377 0.045 11.061 1.00 0.00 O ATOM 0 H GLU A 15 4.424 2.326 8.848 1.00 0.00 H new ATOM 0 HA GLU A 15 1.894 1.742 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.157 0.656 10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.411 2.210 10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.119 1.366 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.320 -0.181 9.279 1.00 0.00 H new ATOM 193 N GLY A 16 1.232 4.156 8.255 1.00 0.00 N ATOM 194 CA GLY A 16 1.078 5.599 8.267 1.00 0.00 C ATOM 195 C GLY A 16 2.222 6.310 7.573 1.00 0.00 C ATOM 196 O GLY A 16 2.554 7.447 7.913 1.00 0.00 O ATOM 0 H GLY A 16 0.477 3.648 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.140 5.865 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.011 5.946 9.298 1.00 0.00 H new ATOM 200 N SER A 17 2.828 5.642 6.597 1.00 0.00 N ATOM 201 CA SER A 17 3.941 6.218 5.852 1.00 0.00 C ATOM 202 C SER A 17 3.472 6.768 4.510 1.00 0.00 C ATOM 203 O SER A 17 2.349 6.507 4.079 1.00 0.00 O ATOM 204 CB SER A 17 5.032 5.168 5.634 1.00 0.00 C ATOM 205 OG SER A 17 5.750 4.919 6.831 1.00 0.00 O ATOM 0 H SER A 17 2.567 4.701 6.304 1.00 0.00 H new ATOM 0 HA SER A 17 4.350 7.042 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.583 4.241 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.719 5.509 4.859 1.00 0.00 H new ATOM 0 HG SER A 17 6.440 4.243 6.664 1.00 0.00 H new ATOM 211 N GLN A 18 4.339 7.532 3.852 1.00 0.00 N ATOM 212 CA GLN A 18 4.013 8.119 2.558 1.00 0.00 C ATOM 213 C GLN A 18 4.802 7.447 1.439 1.00 0.00 C ATOM 214 O GLN A 18 5.926 6.991 1.646 1.00 0.00 O ATOM 215 CB GLN A 18 4.302 9.621 2.570 1.00 0.00 C ATOM 216 CG GLN A 18 3.362 10.415 3.464 1.00 0.00 C ATOM 217 CD GLN A 18 1.951 10.484 2.913 1.00 0.00 C ATOM 218 OE1 GLN A 18 0.972 10.171 3.753 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 1.744 10.815 1.745 1.00 0.00 N flip ATOM 0 H GLN A 18 5.273 7.759 4.194 1.00 0.00 H new ATOM 0 HA GLN A 18 2.951 7.961 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.328 9.782 2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.232 10.004 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.339 9.961 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.750 11.426 3.586 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.527 11.047 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.789 10.857 1.388 1.00 0.00 H new ATOM 228 N VAL A 19 4.205 7.389 0.253 1.00 0.00 N ATOM 229 CA VAL A 19 4.851 6.773 -0.900 1.00 0.00 C ATOM 230 C VAL A 19 4.364 7.397 -2.203 1.00 0.00 C ATOM 231 O VAL A 19 3.465 8.237 -2.203 1.00 0.00 O ATOM 232 CB VAL A 19 4.593 5.256 -0.944 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.247 4.566 0.243 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.099 4.969 -0.978 1.00 0.00 C ATOM 0 H VAL A 19 3.274 7.761 0.065 1.00 0.00 H new ATOM 0 HA VAL A 19 5.921 6.950 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 19 5.038 4.858 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.053 3.495 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.323 4.741 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.835 4.967 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.936 3.892 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.629 5.382 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.660 5.428 -1.864 1.00 0.00 H new ATOM 244 N LEU A 20 4.965 6.979 -3.312 1.00 0.00 N ATOM 245 CA LEU A 20 4.593 7.495 -4.625 1.00 0.00 C ATOM 246 C LEU A 20 4.521 6.370 -5.652 1.00 0.00 C ATOM 247 O LEU A 20 5.432 5.547 -5.750 1.00 0.00 O ATOM 248 CB LEU A 20 5.595 8.557 -5.083 1.00 0.00 C ATOM 249 CG LEU A 20 5.306 9.169 -6.454 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.043 10.014 -6.405 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.489 10.002 -6.926 1.00 0.00 C ATOM 0 H LEU A 20 5.712 6.284 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 20 3.606 7.950 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.618 9.356 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.590 8.112 -5.103 1.00 0.00 H new ATOM 0 HG LEU A 20 5.150 8.359 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.853 10.442 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.199 9.390 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.170 10.817 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.266 10.430 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.677 10.805 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.373 9.369 -7.000 1.00 0.00 H new ATOM 263 N LEU A 21 3.433 6.339 -6.413 1.00 0.00 N ATOM 264 CA LEU A 21 3.241 5.313 -7.432 1.00 0.00 C ATOM 265 C LEU A 21 4.148 5.561 -8.634 1.00 0.00 C ATOM 266 O LEU A 21 4.413 6.707 -8.998 1.00 0.00 O ATOM 267 CB LEU A 21 1.780 5.277 -7.880 1.00 0.00 C ATOM 268 CG LEU A 21 0.757 5.197 -6.745 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.641 5.493 -7.265 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.804 3.830 -6.081 1.00 0.00 C ATOM 0 H LEU A 21 2.670 7.013 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 21 3.504 4.350 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.575 6.169 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.638 4.419 -8.538 1.00 0.00 H new ATOM 0 HG LEU A 21 1.011 5.950 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.355 5.432 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.665 6.495 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.906 4.765 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.070 3.791 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.576 3.060 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.800 3.658 -5.672 1.00 0.00 H new ATOM 282 N THR A 22 4.621 4.479 -9.245 1.00 0.00 N ATOM 283 CA THR A 22 5.497 4.578 -10.406 1.00 0.00 C ATOM 284 C THR A 22 4.712 4.388 -11.700 1.00 0.00 C ATOM 285 O THR A 22 5.238 3.875 -12.687 1.00 0.00 O ATOM 286 CB THR A 22 6.614 3.536 -10.316 1.00 0.00 C ATOM 287 OG1 THR A 22 7.422 3.567 -11.480 1.00 0.00 O ATOM 288 CG2 THR A 22 6.102 2.123 -10.149 1.00 0.00 C ATOM 0 H THR A 22 4.412 3.524 -8.955 1.00 0.00 H new ATOM 0 HA THR A 22 5.937 5.575 -10.414 1.00 0.00 H new ATOM 0 HB THR A 22 7.188 3.803 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.860 3.432 -12.272 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.945 1.435 -10.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.515 2.055 -9.233 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.476 1.860 -11.002 1.00 0.00 H new ATOM 296 N SER A 23 3.450 4.805 -11.687 1.00 0.00 N ATOM 297 CA SER A 23 2.592 4.680 -12.860 1.00 0.00 C ATOM 298 C SER A 23 1.873 5.994 -13.148 1.00 0.00 C ATOM 299 O SER A 23 1.828 6.450 -14.290 1.00 0.00 O ATOM 300 CB SER A 23 1.570 3.560 -12.653 1.00 0.00 C ATOM 301 OG SER A 23 2.064 2.323 -13.138 1.00 0.00 O ATOM 0 H SER A 23 2.999 5.232 -10.878 1.00 0.00 H new ATOM 0 HA SER A 23 3.220 4.434 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.334 3.470 -11.593 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.642 3.811 -13.166 1.00 0.00 H new ATOM 0 HG SER A 23 1.393 1.623 -12.993 1.00 0.00 H new ATOM 307 N SER A 24 1.314 6.597 -12.104 1.00 0.00 N ATOM 308 CA SER A 24 0.596 7.859 -12.244 1.00 0.00 C ATOM 309 C SER A 24 1.324 8.994 -11.523 1.00 0.00 C ATOM 310 O SER A 24 0.954 10.161 -11.658 1.00 0.00 O ATOM 311 CB SER A 24 -0.825 7.724 -11.696 1.00 0.00 C ATOM 312 OG SER A 24 -1.516 6.660 -12.328 1.00 0.00 O ATOM 0 H SER A 24 1.344 6.232 -11.152 1.00 0.00 H new ATOM 0 HA SER A 24 0.551 8.101 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.788 7.550 -10.621 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.368 8.657 -11.850 1.00 0.00 H new ATOM 0 HG SER A 24 -2.421 6.593 -11.959 1.00 0.00 H new ATOM 318 N ASN A 25 2.358 8.649 -10.757 1.00 0.00 N ATOM 319 CA ASN A 25 3.128 9.644 -10.020 1.00 0.00 C ATOM 320 C ASN A 25 2.256 10.349 -8.986 1.00 0.00 C ATOM 321 O ASN A 25 2.426 11.540 -8.724 1.00 0.00 O ATOM 322 CB ASN A 25 3.734 10.669 -10.981 1.00 0.00 C ATOM 323 CG ASN A 25 5.128 10.284 -11.434 1.00 0.00 C ATOM 324 OD1 ASN A 25 6.015 10.038 -10.475 1.00 0.00 O flip ATOM 325 ND2 ASN A 25 5.407 10.207 -12.630 1.00 0.00 N flip ATOM 0 H ASN A 25 2.680 7.689 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 25 3.934 9.129 -9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.087 10.772 -11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.770 11.643 -10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.695 10.404 -13.333 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.350 9.946 -12.918 1.00 0.00 H new ATOM 332 N GLU A 26 1.324 9.606 -8.400 1.00 0.00 N ATOM 333 CA GLU A 26 0.425 10.158 -7.394 1.00 0.00 C ATOM 334 C GLU A 26 0.796 9.658 -6.001 1.00 0.00 C ATOM 335 O GLU A 26 0.988 8.462 -5.791 1.00 0.00 O ATOM 336 CB GLU A 26 -1.024 9.785 -7.713 1.00 0.00 C ATOM 337 CG GLU A 26 -1.632 10.610 -8.836 1.00 0.00 C ATOM 338 CD GLU A 26 -2.997 11.166 -8.478 1.00 0.00 C ATOM 339 OE1 GLU A 26 -3.073 12.009 -7.561 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.989 10.758 -9.117 1.00 0.00 O ATOM 0 H GLU A 26 1.171 8.619 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 26 0.525 11.243 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.068 8.730 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.628 9.909 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.961 11.433 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.718 9.992 -9.730 1.00 0.00 H new ATOM 347 N MET A 27 0.895 10.585 -5.053 1.00 0.00 N ATOM 348 CA MET A 27 1.242 10.238 -3.680 1.00 0.00 C ATOM 349 C MET A 27 0.085 9.524 -2.990 1.00 0.00 C ATOM 350 O MET A 27 -1.081 9.767 -3.298 1.00 0.00 O ATOM 351 CB MET A 27 1.620 11.496 -2.895 1.00 0.00 C ATOM 352 CG MET A 27 2.639 12.373 -3.605 1.00 0.00 C ATOM 353 SD MET A 27 2.930 13.932 -2.749 1.00 0.00 S ATOM 354 CE MET A 27 3.203 13.356 -1.077 1.00 0.00 C ATOM 0 H MET A 27 0.740 11.581 -5.211 1.00 0.00 H new ATOM 0 HA MET A 27 2.097 9.563 -3.707 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.720 12.080 -2.706 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.019 11.202 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.580 11.831 -3.694 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.293 12.578 -4.618 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.748 14.114 -0.515 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.243 13.168 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.784 12.434 -1.100 1.00 0.00 H new ATOM 364 N ALA A 28 0.417 8.639 -2.055 1.00 0.00 N ATOM 365 CA ALA A 28 -0.594 7.887 -1.320 1.00 0.00 C ATOM 366 C ALA A 28 -0.120 7.569 0.095 1.00 0.00 C ATOM 367 O ALA A 28 1.075 7.417 0.340 1.00 0.00 O ATOM 368 CB ALA A 28 -0.943 6.607 -2.066 1.00 0.00 C ATOM 0 H ALA A 28 1.378 8.425 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.489 8.504 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.699 6.055 -1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.332 6.856 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.049 5.993 -2.172 1.00 0.00 H new ATOM 374 N THR A 29 -1.068 7.471 1.021 1.00 0.00 N ATOM 375 CA THR A 29 -0.750 7.171 2.412 1.00 0.00 C ATOM 376 C THR A 29 -0.931 5.689 2.707 1.00 0.00 C ATOM 377 O THR A 29 -1.944 5.092 2.344 1.00 0.00 O ATOM 378 CB THR A 29 -1.627 8.003 3.349 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.632 9.364 2.957 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.184 7.942 4.795 1.00 0.00 C ATOM 0 H THR A 29 -2.063 7.595 0.833 1.00 0.00 H new ATOM 0 HA THR A 29 0.296 7.428 2.581 1.00 0.00 H new ATOM 0 HB THR A 29 -2.623 7.568 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.764 9.768 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.848 8.554 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.219 6.910 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.165 8.319 4.879 1.00 0.00 H new ATOM 388 N VAL A 30 0.057 5.101 3.371 1.00 0.00 N ATOM 389 CA VAL A 30 0.006 3.687 3.716 1.00 0.00 C ATOM 390 C VAL A 30 -0.899 3.451 4.920 1.00 0.00 C ATOM 391 O VAL A 30 -0.611 3.909 6.025 1.00 0.00 O ATOM 392 CB VAL A 30 1.408 3.131 4.023 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.359 1.620 4.193 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.388 3.520 2.926 1.00 0.00 C ATOM 0 H VAL A 30 0.902 5.581 3.681 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.399 3.163 2.850 1.00 0.00 H new ATOM 0 HB VAL A 30 1.754 3.567 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.360 1.246 4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.691 1.368 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.991 1.162 3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.374 3.118 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.048 3.114 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.446 4.606 2.858 1.00 0.00 H new ATOM 404 N ARG A 31 -1.995 2.734 4.698 1.00 0.00 N ATOM 405 CA ARG A 31 -2.943 2.438 5.766 1.00 0.00 C ATOM 406 C ARG A 31 -2.720 1.036 6.323 1.00 0.00 C ATOM 407 O ARG A 31 -2.894 0.797 7.518 1.00 0.00 O ATOM 408 CB ARG A 31 -4.377 2.575 5.254 1.00 0.00 C ATOM 409 CG ARG A 31 -4.775 4.006 4.932 1.00 0.00 C ATOM 410 CD ARG A 31 -4.848 4.859 6.188 1.00 0.00 C ATOM 411 NE ARG A 31 -5.910 4.416 7.089 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.187 4.765 6.959 1.00 0.00 C ATOM 413 NH1 ARG A 31 -7.570 5.558 5.965 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.088 4.318 7.824 1.00 0.00 N ATOM 0 H ARG A 31 -2.249 2.347 3.789 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.781 3.156 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.494 1.964 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.061 2.177 6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.054 4.438 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.743 4.012 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.891 4.820 6.709 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.018 5.899 5.911 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.657 3.803 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.883 5.904 5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.551 5.821 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.802 3.707 8.589 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.067 4.586 7.724 1.00 0.00 H new ATOM 428 N TYR A 32 -2.335 0.111 5.449 1.00 0.00 N ATOM 429 CA TYR A 32 -2.090 -1.268 5.858 1.00 0.00 C ATOM 430 C TYR A 32 -0.915 -1.863 5.089 1.00 0.00 C ATOM 431 O TYR A 32 -0.729 -1.584 3.904 1.00 0.00 O ATOM 432 CB TYR A 32 -3.343 -2.117 5.636 1.00 0.00 C ATOM 433 CG TYR A 32 -3.254 -3.500 6.242 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.362 -3.685 7.614 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.061 -4.619 5.442 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.281 -4.947 8.172 1.00 0.00 C ATOM 437 CE2 TYR A 32 -2.979 -5.883 5.992 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.089 -6.042 7.357 1.00 0.00 C ATOM 439 OH TYR A 32 -3.008 -7.300 7.909 1.00 0.00 O ATOM 0 H TYR A 32 -2.186 0.290 4.456 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.843 -1.268 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.203 -1.598 6.060 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.523 -2.210 4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.512 -2.829 8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.974 -4.499 4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.368 -5.074 9.241 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.829 -6.743 5.356 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.873 -7.961 7.198 1.00 0.00 H new ATOM 449 N VAL A 33 -0.124 -2.684 5.772 1.00 0.00 N ATOM 450 CA VAL A 33 1.034 -3.319 5.155 1.00 0.00 C ATOM 451 C VAL A 33 1.084 -4.808 5.483 1.00 0.00 C ATOM 452 O VAL A 33 1.257 -5.194 6.638 1.00 0.00 O ATOM 453 CB VAL A 33 2.348 -2.661 5.615 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.526 -3.202 4.820 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.260 -1.148 5.489 1.00 0.00 C ATOM 0 H VAL A 33 -0.264 -2.925 6.753 1.00 0.00 H new ATOM 0 HA VAL A 33 0.929 -3.189 4.078 1.00 0.00 H new ATOM 0 HB VAL A 33 2.507 -2.907 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.445 -2.724 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.601 -4.279 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.378 -2.991 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.198 -0.700 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.076 -0.880 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.444 -0.778 6.109 1.00 0.00 H new ATOM 465 N GLY A 34 0.930 -5.640 4.457 1.00 0.00 N ATOM 466 CA GLY A 34 0.960 -7.077 4.658 1.00 0.00 C ATOM 467 C GLY A 34 0.441 -7.843 3.455 1.00 0.00 C ATOM 468 O GLY A 34 0.242 -7.263 2.388 1.00 0.00 O ATOM 0 H GLY A 34 0.785 -5.345 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.982 -7.390 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.361 -7.331 5.532 1.00 0.00 H new ATOM 472 N PRO A 35 0.214 -9.159 3.597 1.00 0.00 N ATOM 473 CA PRO A 35 -0.286 -9.997 2.503 1.00 0.00 C ATOM 474 C PRO A 35 -1.739 -9.692 2.158 1.00 0.00 C ATOM 475 O PRO A 35 -2.365 -8.828 2.771 1.00 0.00 O ATOM 476 CB PRO A 35 -0.155 -11.418 3.054 1.00 0.00 C ATOM 477 CG PRO A 35 -0.219 -11.258 4.534 1.00 0.00 C ATOM 478 CD PRO A 35 0.426 -9.934 4.836 1.00 0.00 C ATOM 0 HA PRO A 35 0.267 -9.832 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.958 -12.059 2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.784 -11.877 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.251 -11.278 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.304 -12.071 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.035 -9.450 5.697 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.486 -10.046 5.063 1.00 0.00 H new ATOM 486 N THR A 36 -2.270 -10.407 1.172 1.00 0.00 N ATOM 487 CA THR A 36 -3.651 -10.213 0.744 1.00 0.00 C ATOM 488 C THR A 36 -4.376 -11.549 0.629 1.00 0.00 C ATOM 489 O THR A 36 -3.805 -12.603 0.909 1.00 0.00 O ATOM 490 CB THR A 36 -3.692 -9.479 -0.597 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.759 -10.038 -1.504 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.390 -8.001 -0.479 1.00 0.00 C ATOM 0 H THR A 36 -1.765 -11.126 0.654 1.00 0.00 H new ATOM 0 HA THR A 36 -4.158 -9.609 1.496 1.00 0.00 H new ATOM 0 HB THR A 36 -4.713 -9.597 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.057 -9.382 -1.697 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.436 -7.540 -1.466 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.124 -7.531 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.392 -7.866 -0.061 1.00 0.00 H new ATOM 500 N ASP A 37 -5.638 -11.497 0.216 1.00 0.00 N ATOM 501 CA ASP A 37 -6.443 -12.705 0.065 1.00 0.00 C ATOM 502 C ASP A 37 -6.727 -12.990 -1.407 1.00 0.00 C ATOM 503 O ASP A 37 -6.875 -14.145 -1.807 1.00 0.00 O ATOM 504 CB ASP A 37 -7.758 -12.564 0.832 1.00 0.00 C ATOM 505 CG ASP A 37 -7.544 -12.199 2.287 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.304 -11.007 2.572 1.00 0.00 O ATOM 507 OD2 ASP A 37 -7.615 -13.106 3.143 1.00 0.00 O ATOM 0 H ASP A 37 -6.126 -10.633 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.878 -13.542 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.373 -11.800 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.312 -13.501 0.773 1.00 0.00 H new ATOM 512 N PHE A 38 -6.804 -11.933 -2.208 1.00 0.00 N ATOM 513 CA PHE A 38 -7.074 -12.072 -3.635 1.00 0.00 C ATOM 514 C PHE A 38 -5.794 -12.386 -4.404 1.00 0.00 C ATOM 515 O PHE A 38 -5.821 -13.102 -5.404 1.00 0.00 O ATOM 516 CB PHE A 38 -7.710 -10.793 -4.182 1.00 0.00 C ATOM 517 CG PHE A 38 -6.876 -9.564 -3.962 1.00 0.00 C ATOM 518 CD1 PHE A 38 -5.871 -9.224 -4.854 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.096 -8.749 -2.864 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.102 -8.093 -4.654 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.329 -7.617 -2.659 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.332 -7.289 -3.555 1.00 0.00 C ATOM 0 H PHE A 38 -6.683 -10.970 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.769 -12.901 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.888 -10.914 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.683 -10.651 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.687 -9.850 -5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.875 -9.001 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.322 -7.838 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.510 -6.990 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.732 -6.405 -3.397 1.00 0.00 H new ATOM 532 N ALA A 39 -4.676 -11.845 -3.931 1.00 0.00 N ATOM 533 CA ALA A 39 -3.388 -12.068 -4.575 1.00 0.00 C ATOM 534 C ALA A 39 -2.443 -12.844 -3.663 1.00 0.00 C ATOM 535 O ALA A 39 -1.682 -13.695 -4.122 1.00 0.00 O ATOM 536 CB ALA A 39 -2.764 -10.739 -4.978 1.00 0.00 C ATOM 0 H ALA A 39 -4.637 -11.249 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.556 -12.666 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.802 -10.919 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.425 -10.223 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.617 -10.122 -4.091 1.00 0.00 H new ATOM 542 N SER A 40 -2.497 -12.545 -2.369 1.00 0.00 N ATOM 543 CA SER A 40 -1.646 -13.216 -1.393 1.00 0.00 C ATOM 544 C SER A 40 -0.172 -12.964 -1.696 1.00 0.00 C ATOM 545 O SER A 40 0.384 -13.531 -2.636 1.00 0.00 O ATOM 546 CB SER A 40 -1.927 -14.719 -1.385 1.00 0.00 C ATOM 547 OG SER A 40 -1.867 -15.242 -0.070 1.00 0.00 O ATOM 0 H SER A 40 -3.121 -11.843 -1.972 1.00 0.00 H new ATOM 0 HA SER A 40 -1.873 -12.808 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.912 -14.910 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.201 -15.231 -2.017 1.00 0.00 H new ATOM 0 HG SER A 40 -2.052 -16.204 -0.092 1.00 0.00 H new ATOM 553 N GLY A 41 0.455 -12.110 -0.893 1.00 0.00 N ATOM 554 CA GLY A 41 1.858 -11.799 -1.093 1.00 0.00 C ATOM 555 C GLY A 41 2.310 -10.607 -0.273 1.00 0.00 C ATOM 556 O GLY A 41 2.322 -10.658 0.957 1.00 0.00 O ATOM 0 H GLY A 41 0.017 -11.628 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.461 -12.668 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.035 -11.598 -2.149 1.00 0.00 H new ATOM 560 N ILE A 42 2.681 -9.530 -0.957 1.00 0.00 N ATOM 561 CA ILE A 42 3.135 -8.318 -0.285 1.00 0.00 C ATOM 562 C ILE A 42 2.539 -7.074 -0.934 1.00 0.00 C ATOM 563 O ILE A 42 3.005 -6.621 -1.979 1.00 0.00 O ATOM 564 CB ILE A 42 4.672 -8.207 -0.307 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.306 -9.523 0.148 1.00 0.00 C ATOM 566 CG2 ILE A 42 5.131 -7.057 0.576 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.002 -9.875 1.588 1.00 0.00 C ATOM 0 H ILE A 42 2.676 -9.472 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 42 2.796 -8.383 0.749 1.00 0.00 H new ATOM 0 HB ILE A 42 4.994 -8.005 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.954 -10.328 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.386 -9.460 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.219 -6.991 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.702 -6.124 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.802 -7.231 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.483 -10.820 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.379 -9.089 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.924 -9.970 1.719 1.00 0.00 H new ATOM 579 N TRP A 43 1.503 -6.525 -0.308 1.00 0.00 N ATOM 580 CA TRP A 43 0.841 -5.331 -0.822 1.00 0.00 C ATOM 581 C TRP A 43 0.766 -4.248 0.248 1.00 0.00 C ATOM 582 O TRP A 43 1.228 -4.438 1.372 1.00 0.00 O ATOM 583 CB TRP A 43 -0.565 -5.674 -1.317 1.00 0.00 C ATOM 584 CG TRP A 43 -0.577 -6.677 -2.429 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.367 -8.022 -2.323 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.808 -6.415 -3.818 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.454 -8.612 -3.560 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.725 -7.647 -4.494 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.080 -5.260 -4.556 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.903 -7.755 -5.872 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.256 -5.367 -5.923 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.167 -6.606 -6.568 1.00 0.00 C ATOM 0 H TRP A 43 1.103 -6.888 0.557 1.00 0.00 H new ATOM 0 HA TRP A 43 1.429 -4.951 -1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.151 -6.060 -0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.055 -4.761 -1.656 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.162 -8.546 -1.401 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.336 -9.607 -3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.152 -4.300 -4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.835 -8.710 -6.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.466 -4.480 -6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.310 -6.657 -7.637 1.00 0.00 H new ATOM 603 N LEU A 44 0.180 -3.109 -0.111 1.00 0.00 N ATOM 604 CA LEU A 44 0.044 -1.994 0.820 1.00 0.00 C ATOM 605 C LEU A 44 -1.283 -1.272 0.612 1.00 0.00 C ATOM 606 O LEU A 44 -1.614 -0.867 -0.502 1.00 0.00 O ATOM 607 CB LEU A 44 1.204 -1.012 0.646 1.00 0.00 C ATOM 608 CG LEU A 44 2.567 -1.656 0.389 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.561 -0.620 -0.112 1.00 0.00 C ATOM 610 CD2 LEU A 44 3.085 -2.328 1.652 1.00 0.00 C ATOM 0 H LEU A 44 -0.207 -2.935 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 44 0.065 -2.395 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.973 -0.344 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.274 -0.395 1.542 1.00 0.00 H new ATOM 0 HG LEU A 44 2.448 -2.418 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.525 -1.097 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.195 -0.184 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.676 0.165 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.056 -2.781 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.188 -1.585 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.383 -3.100 1.968 1.00 0.00 H new ATOM 622 N GLY A 45 -2.041 -1.113 1.693 1.00 0.00 N ATOM 623 CA GLY A 45 -3.322 -0.440 1.608 1.00 0.00 C ATOM 624 C GLY A 45 -3.181 1.069 1.544 1.00 0.00 C ATOM 625 O GLY A 45 -3.133 1.738 2.576 1.00 0.00 O ATOM 0 H GLY A 45 -1.790 -1.439 2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.855 -0.790 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.928 -0.709 2.473 1.00 0.00 H new ATOM 629 N LEU A 46 -3.116 1.605 0.329 1.00 0.00 N ATOM 630 CA LEU A 46 -2.978 3.043 0.134 1.00 0.00 C ATOM 631 C LEU A 46 -4.332 3.740 0.251 1.00 0.00 C ATOM 632 O LEU A 46 -5.379 3.097 0.185 1.00 0.00 O ATOM 633 CB LEU A 46 -2.357 3.336 -1.233 1.00 0.00 C ATOM 634 CG LEU A 46 -0.903 2.888 -1.393 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.383 3.248 -2.776 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.031 3.513 -0.314 1.00 0.00 C ATOM 0 H LEU A 46 -3.157 1.064 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.322 3.429 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.958 2.848 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.413 4.409 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.862 1.804 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.653 2.922 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.991 2.753 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.438 4.328 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.000 3.183 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.077 4.599 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.390 3.205 0.668 1.00 0.00 H new ATOM 648 N GLU A 47 -4.301 5.058 0.424 1.00 0.00 N ATOM 649 CA GLU A 47 -5.525 5.842 0.550 1.00 0.00 C ATOM 650 C GLU A 47 -5.303 7.277 0.083 1.00 0.00 C ATOM 651 O GLU A 47 -4.280 7.890 0.390 1.00 0.00 O ATOM 652 CB GLU A 47 -6.013 5.835 2.000 1.00 0.00 C ATOM 653 CG GLU A 47 -7.520 5.987 2.135 1.00 0.00 C ATOM 654 CD GLU A 47 -7.924 7.346 2.672 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.332 7.787 3.680 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.833 7.971 2.084 1.00 0.00 O ATOM 0 H GLU A 47 -3.442 5.605 0.480 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.285 5.386 -0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.706 4.902 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.524 6.644 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.986 5.832 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.902 5.211 2.798 1.00 0.00 H new ATOM 663 N LEU A 48 -6.268 7.808 -0.662 1.00 0.00 N ATOM 664 CA LEU A 48 -6.178 9.171 -1.171 1.00 0.00 C ATOM 665 C LEU A 48 -7.343 10.018 -0.668 1.00 0.00 C ATOM 666 O LEU A 48 -8.264 9.508 -0.031 1.00 0.00 O ATOM 667 CB LEU A 48 -6.161 9.166 -2.701 1.00 0.00 C ATOM 668 CG LEU A 48 -5.201 8.159 -3.335 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.613 7.856 -4.768 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.773 8.685 -3.290 1.00 0.00 C ATOM 0 H LEU A 48 -7.121 7.315 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.249 9.608 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.169 8.959 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.898 10.165 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.246 7.233 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.918 7.138 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.620 7.438 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.597 8.775 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.102 7.956 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.714 9.625 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.479 8.851 -2.254 1.00 0.00 H new ATOM 682 N ARG A 49 -7.296 11.314 -0.959 1.00 0.00 N ATOM 683 CA ARG A 49 -8.347 12.231 -0.538 1.00 0.00 C ATOM 684 C ARG A 49 -9.116 12.766 -1.742 1.00 0.00 C ATOM 685 O ARG A 49 -9.530 13.925 -1.763 1.00 0.00 O ATOM 686 CB ARG A 49 -7.751 13.395 0.256 1.00 0.00 C ATOM 687 CG ARG A 49 -6.723 12.963 1.291 1.00 0.00 C ATOM 688 CD ARG A 49 -6.905 13.705 2.607 1.00 0.00 C ATOM 689 NE ARG A 49 -5.871 14.717 2.814 1.00 0.00 N ATOM 690 CZ ARG A 49 -5.893 15.926 2.257 1.00 0.00 C ATOM 691 NH1 ARG A 49 -6.896 16.284 1.463 1.00 0.00 N ATOM 692 NH2 ARG A 49 -4.910 16.783 2.497 1.00 0.00 N ATOM 0 H ARG A 49 -6.540 11.752 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.039 11.681 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.285 14.095 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.556 13.932 0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.808 11.890 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.720 13.145 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.886 14.181 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.884 12.992 3.431 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.086 14.483 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.657 15.631 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.905 17.212 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.138 16.516 3.108 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.926 17.710 2.071 1.00 0.00 H new ATOM 706 N SER A 50 -9.304 11.912 -2.743 1.00 0.00 N ATOM 707 CA SER A 50 -10.024 12.298 -3.950 1.00 0.00 C ATOM 708 C SER A 50 -10.298 11.083 -4.831 1.00 0.00 C ATOM 709 O SER A 50 -9.836 9.980 -4.544 1.00 0.00 O ATOM 710 CB SER A 50 -9.224 13.340 -4.735 1.00 0.00 C ATOM 711 OG SER A 50 -10.050 14.026 -5.660 1.00 0.00 O ATOM 0 H SER A 50 -8.968 10.949 -2.742 1.00 0.00 H new ATOM 0 HA SER A 50 -10.978 12.732 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.775 14.054 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.406 12.852 -5.265 1.00 0.00 H new ATOM 0 HG SER A 50 -9.516 14.687 -6.148 1.00 0.00 H new ATOM 717 N ALA A 51 -11.051 11.295 -5.904 1.00 0.00 N ATOM 718 CA ALA A 51 -11.386 10.219 -6.827 1.00 0.00 C ATOM 719 C ALA A 51 -10.231 9.934 -7.781 1.00 0.00 C ATOM 720 O ALA A 51 -10.325 10.188 -8.981 1.00 0.00 O ATOM 721 CB ALA A 51 -12.644 10.567 -7.608 1.00 0.00 C ATOM 0 H ALA A 51 -11.441 12.203 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.571 9.317 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.883 9.754 -8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.473 10.713 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.479 11.483 -8.175 1.00 0.00 H new ATOM 727 N LYS A 52 -9.140 9.404 -7.237 1.00 0.00 N ATOM 728 CA LYS A 52 -7.963 9.085 -8.039 1.00 0.00 C ATOM 729 C LYS A 52 -7.490 7.660 -7.770 1.00 0.00 C ATOM 730 O LYS A 52 -6.293 7.376 -7.811 1.00 0.00 O ATOM 731 CB LYS A 52 -6.834 10.074 -7.742 1.00 0.00 C ATOM 732 CG LYS A 52 -7.276 11.529 -7.765 1.00 0.00 C ATOM 733 CD LYS A 52 -6.869 12.217 -9.058 1.00 0.00 C ATOM 734 CE LYS A 52 -8.038 12.329 -10.023 1.00 0.00 C ATOM 735 NZ LYS A 52 -9.093 13.248 -9.511 1.00 0.00 N ATOM 0 H LYS A 52 -9.046 9.186 -6.245 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.239 9.164 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.412 9.847 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.038 9.933 -8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.358 11.583 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.838 12.057 -6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.483 13.212 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.060 11.659 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.680 12.689 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.467 11.341 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.658 13.605 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.711 12.734 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.647 14.047 -9.017 1.00 0.00 H new ATOM 749 N GLY A 53 -8.436 6.769 -7.492 1.00 0.00 N ATOM 750 CA GLY A 53 -8.093 5.385 -7.220 1.00 0.00 C ATOM 751 C GLY A 53 -9.054 4.409 -7.871 1.00 0.00 C ATOM 752 O GLY A 53 -9.778 4.766 -8.800 1.00 0.00 O ATOM 0 H GLY A 53 -9.433 6.980 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.082 5.188 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.088 5.220 -6.142 1.00 0.00 H new ATOM 756 N LYS A 54 -9.058 3.173 -7.381 1.00 0.00 N ATOM 757 CA LYS A 54 -9.936 2.140 -7.921 1.00 0.00 C ATOM 758 C LYS A 54 -10.313 1.129 -6.841 1.00 0.00 C ATOM 759 O LYS A 54 -10.330 -0.077 -7.084 1.00 0.00 O ATOM 760 CB LYS A 54 -9.259 1.428 -9.094 1.00 0.00 C ATOM 761 CG LYS A 54 -9.519 2.088 -10.439 1.00 0.00 C ATOM 762 CD LYS A 54 -9.739 1.058 -11.536 1.00 0.00 C ATOM 763 CE LYS A 54 -10.913 1.432 -12.425 1.00 0.00 C ATOM 764 NZ LYS A 54 -12.211 1.343 -11.699 1.00 0.00 N ATOM 0 H LYS A 54 -8.464 2.863 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.848 2.620 -8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.184 1.395 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.608 0.396 -9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.394 2.734 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.674 2.725 -10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.837 0.971 -12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.918 0.081 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.776 2.446 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.936 0.772 -13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.987 1.251 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.202 0.512 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.351 2.203 -11.131 1.00 0.00 H new ATOM 778 N ASN A 55 -10.616 1.631 -5.649 1.00 0.00 N ATOM 779 CA ASN A 55 -10.993 0.774 -4.531 1.00 0.00 C ATOM 780 C ASN A 55 -11.790 1.557 -3.491 1.00 0.00 C ATOM 781 O ASN A 55 -11.494 2.719 -3.216 1.00 0.00 O ATOM 782 CB ASN A 55 -9.747 0.163 -3.885 1.00 0.00 C ATOM 783 CG ASN A 55 -9.512 -1.270 -4.321 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.401 -2.115 -4.218 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.310 -1.550 -4.811 1.00 0.00 N ATOM 0 H ASN A 55 -10.608 2.628 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.622 -0.028 -4.916 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.876 0.765 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.850 0.197 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.093 -2.497 -5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.603 -0.818 -4.878 1.00 0.00 H new ATOM 792 N ASP A 56 -12.801 0.913 -2.918 1.00 0.00 N ATOM 793 CA ASP A 56 -13.638 1.552 -1.909 1.00 0.00 C ATOM 794 C ASP A 56 -13.210 1.141 -0.503 1.00 0.00 C ATOM 795 O ASP A 56 -14.018 1.143 0.427 1.00 0.00 O ATOM 796 CB ASP A 56 -15.109 1.193 -2.132 1.00 0.00 C ATOM 797 CG ASP A 56 -16.044 2.033 -1.284 1.00 0.00 C ATOM 798 OD1 ASP A 56 -15.642 3.145 -0.882 1.00 0.00 O ATOM 799 OD2 ASP A 56 -17.177 1.577 -1.022 1.00 0.00 O ATOM 0 H ASP A 56 -13.060 -0.049 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.516 2.631 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.358 1.328 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.262 0.139 -1.901 1.00 0.00 H new ATOM 804 N GLY A 57 -11.937 0.789 -0.354 1.00 0.00 N ATOM 805 CA GLY A 57 -11.427 0.382 0.942 1.00 0.00 C ATOM 806 C GLY A 57 -11.477 -1.120 1.142 1.00 0.00 C ATOM 807 O GLY A 57 -10.537 -1.713 1.673 1.00 0.00 O ATOM 0 H GLY A 57 -11.250 0.778 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.398 0.725 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.007 0.869 1.726 1.00 0.00 H new ATOM 811 N ALA A 58 -12.575 -1.737 0.719 1.00 0.00 N ATOM 812 CA ALA A 58 -12.742 -3.179 0.857 1.00 0.00 C ATOM 813 C ALA A 58 -12.557 -3.885 -0.482 1.00 0.00 C ATOM 814 O ALA A 58 -13.047 -3.422 -1.512 1.00 0.00 O ATOM 815 CB ALA A 58 -14.111 -3.498 1.438 1.00 0.00 C ATOM 0 H ALA A 58 -13.362 -1.261 0.278 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.975 -3.544 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.222 -4.578 1.536 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.207 -3.033 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.886 -3.112 0.776 1.00 0.00 H new ATOM 821 N VAL A 59 -11.849 -5.010 -0.459 1.00 0.00 N ATOM 822 CA VAL A 59 -11.600 -5.782 -1.670 1.00 0.00 C ATOM 823 C VAL A 59 -12.009 -7.239 -1.485 1.00 0.00 C ATOM 824 O VAL A 59 -11.462 -7.945 -0.637 1.00 0.00 O ATOM 825 CB VAL A 59 -10.115 -5.725 -2.078 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.908 -6.382 -3.434 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.617 -4.286 -2.092 1.00 0.00 C ATOM 0 H VAL A 59 -11.438 -5.407 0.386 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.203 -5.335 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.534 -6.278 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.853 -6.332 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.221 -7.425 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.501 -5.860 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.567 -4.267 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.201 -3.706 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.726 -3.854 -1.097 1.00 0.00 H new ATOM 837 N GLY A 60 -12.976 -7.683 -2.281 1.00 0.00 N ATOM 838 CA GLY A 60 -13.441 -9.054 -2.187 1.00 0.00 C ATOM 839 C GLY A 60 -14.120 -9.346 -0.864 1.00 0.00 C ATOM 840 O GLY A 60 -15.161 -8.769 -0.552 1.00 0.00 O ATOM 0 H GLY A 60 -13.446 -7.118 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.137 -9.255 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.596 -9.731 -2.315 1.00 0.00 H new ATOM 844 N ASP A 61 -13.528 -10.244 -0.082 1.00 0.00 N ATOM 845 CA ASP A 61 -14.084 -10.610 1.217 1.00 0.00 C ATOM 846 C ASP A 61 -13.210 -10.083 2.352 1.00 0.00 C ATOM 847 O ASP A 61 -13.206 -10.636 3.452 1.00 0.00 O ATOM 848 CB ASP A 61 -14.218 -12.130 1.326 1.00 0.00 C ATOM 849 CG ASP A 61 -15.159 -12.549 2.438 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.383 -12.356 2.285 1.00 0.00 O ATOM 851 OD2 ASP A 61 -14.672 -13.068 3.464 1.00 0.00 O ATOM 0 H ASP A 61 -12.665 -10.731 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.072 -10.157 1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.579 -12.529 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.235 -12.567 1.502 1.00 0.00 H new ATOM 856 N LYS A 62 -12.473 -9.010 2.080 1.00 0.00 N ATOM 857 CA LYS A 62 -11.598 -8.409 3.079 1.00 0.00 C ATOM 858 C LYS A 62 -11.260 -6.969 2.709 1.00 0.00 C ATOM 859 O LYS A 62 -11.346 -6.582 1.544 1.00 0.00 O ATOM 860 CB LYS A 62 -10.313 -9.228 3.221 1.00 0.00 C ATOM 861 CG LYS A 62 -9.765 -9.257 4.640 1.00 0.00 C ATOM 862 CD LYS A 62 -8.506 -8.414 4.771 1.00 0.00 C ATOM 863 CE LYS A 62 -7.679 -8.834 5.976 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.620 -9.815 5.608 1.00 0.00 N ATOM 0 H LYS A 62 -12.465 -8.539 1.175 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.125 -8.406 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.505 -10.250 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.554 -8.817 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.523 -8.889 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.546 -10.286 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.907 -8.510 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.778 -7.363 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.218 -7.954 6.425 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.333 -9.271 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.617 -10.596 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.810 -10.190 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.693 -9.344 5.616 1.00 0.00 H new ATOM 878 N ARG A 63 -10.873 -6.181 3.706 1.00 0.00 N ATOM 879 CA ARG A 63 -10.521 -4.784 3.482 1.00 0.00 C ATOM 880 C ARG A 63 -9.140 -4.471 4.049 1.00 0.00 C ATOM 881 O ARG A 63 -8.743 -5.016 5.079 1.00 0.00 O ATOM 882 CB ARG A 63 -11.568 -3.864 4.114 1.00 0.00 C ATOM 883 CG ARG A 63 -11.577 -3.903 5.635 1.00 0.00 C ATOM 884 CD ARG A 63 -12.984 -4.082 6.184 1.00 0.00 C ATOM 885 NE ARG A 63 -13.069 -3.734 7.600 1.00 0.00 N ATOM 886 CZ ARG A 63 -12.549 -4.474 8.578 1.00 0.00 C ATOM 887 NH1 ARG A 63 -11.906 -5.601 8.298 1.00 0.00 N ATOM 888 NH2 ARG A 63 -12.674 -4.085 9.840 1.00 0.00 N ATOM 0 H ARG A 63 -10.795 -6.486 4.676 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.498 -4.610 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.385 -2.841 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.555 -4.145 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.944 -4.720 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.149 -2.980 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.676 -3.460 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.298 -5.117 6.046 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.555 -2.874 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.808 -5.905 7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.510 -6.163 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.168 -3.220 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.276 -4.651 10.590 1.00 0.00 H new ATOM 902 N TYR A 64 -8.412 -3.592 3.368 1.00 0.00 N ATOM 903 CA TYR A 64 -7.074 -3.206 3.804 1.00 0.00 C ATOM 904 C TYR A 64 -7.040 -1.748 4.260 1.00 0.00 C ATOM 905 O TYR A 64 -6.098 -1.323 4.930 1.00 0.00 O ATOM 906 CB TYR A 64 -6.068 -3.422 2.672 1.00 0.00 C ATOM 907 CG TYR A 64 -6.091 -4.823 2.102 1.00 0.00 C ATOM 908 CD1 TYR A 64 -7.076 -5.213 1.203 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.127 -5.755 2.463 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.100 -6.493 0.681 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.144 -7.037 1.945 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.132 -7.399 1.055 1.00 0.00 C ATOM 913 OH TYR A 64 -6.152 -8.675 0.537 1.00 0.00 O ATOM 0 H TYR A 64 -8.725 -3.134 2.512 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.802 -3.834 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.274 -2.710 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.066 -3.205 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.835 -4.504 0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.351 -5.474 3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.873 -6.781 -0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.387 -7.750 2.236 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.466 -8.646 -0.391 1.00 0.00 H new ATOM 923 N PHE A 65 -8.066 -0.985 3.892 1.00 0.00 N ATOM 924 CA PHE A 65 -8.143 0.422 4.267 1.00 0.00 C ATOM 925 C PHE A 65 -9.569 0.946 4.126 1.00 0.00 C ATOM 926 O PHE A 65 -10.422 0.298 3.519 1.00 0.00 O ATOM 927 CB PHE A 65 -7.193 1.253 3.403 1.00 0.00 C ATOM 928 CG PHE A 65 -7.289 0.943 1.936 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.568 -0.104 1.387 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.102 1.700 1.107 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.654 -0.391 0.038 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.193 1.418 -0.243 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.468 0.371 -0.778 1.00 0.00 C ATOM 0 H PHE A 65 -8.854 -1.318 3.336 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.845 0.511 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.406 2.311 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.169 1.082 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.931 -0.703 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.671 2.520 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.086 -1.210 -0.378 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.830 2.015 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.537 0.148 -1.833 1.00 0.00 H new ATOM 943 N THR A 66 -9.819 2.124 4.689 1.00 0.00 N ATOM 944 CA THR A 66 -11.140 2.736 4.626 1.00 0.00 C ATOM 945 C THR A 66 -11.099 4.037 3.830 1.00 0.00 C ATOM 946 O THR A 66 -10.309 4.933 4.126 1.00 0.00 O ATOM 947 CB THR A 66 -11.668 3.005 6.037 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.575 1.840 6.836 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.110 3.464 6.059 1.00 0.00 C ATOM 0 H THR A 66 -9.123 2.673 5.194 1.00 0.00 H new ATOM 0 HA THR A 66 -11.811 2.042 4.120 1.00 0.00 H new ATOM 0 HB THR A 66 -11.043 3.806 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.915 2.032 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.421 3.637 7.089 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.206 4.389 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.743 2.697 5.613 1.00 0.00 H new ATOM 957 N CYS A 67 -11.956 4.133 2.819 1.00 0.00 N ATOM 958 CA CYS A 67 -12.017 5.325 1.981 1.00 0.00 C ATOM 959 C CYS A 67 -13.298 5.346 1.153 1.00 0.00 C ATOM 960 O CYS A 67 -14.165 4.487 1.311 1.00 0.00 O ATOM 961 CB CYS A 67 -10.798 5.386 1.057 1.00 0.00 C ATOM 962 SG CYS A 67 -10.702 4.025 -0.128 1.00 0.00 S ATOM 0 H CYS A 67 -12.617 3.401 2.560 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.015 6.198 2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.817 6.329 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.894 5.388 1.666 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.715 3.241 0.191 1.00 0.00 H new ATOM 968 N LYS A 68 -13.410 6.335 0.272 1.00 0.00 N ATOM 969 CA LYS A 68 -14.585 6.470 -0.581 1.00 0.00 C ATOM 970 C LYS A 68 -14.398 5.709 -1.891 1.00 0.00 C ATOM 971 O LYS A 68 -13.302 5.240 -2.195 1.00 0.00 O ATOM 972 CB LYS A 68 -14.863 7.948 -0.869 1.00 0.00 C ATOM 973 CG LYS A 68 -15.881 8.570 0.075 1.00 0.00 C ATOM 974 CD LYS A 68 -15.333 9.817 0.751 1.00 0.00 C ATOM 975 CE LYS A 68 -14.616 9.478 2.048 1.00 0.00 C ATOM 976 NZ LYS A 68 -13.136 9.455 1.876 1.00 0.00 N ATOM 0 H LYS A 68 -12.701 7.055 0.130 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.438 6.043 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.929 8.505 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.220 8.049 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.784 8.824 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.167 7.841 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.645 10.326 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.149 10.510 0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.881 10.210 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.955 8.506 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.687 9.170 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.884 8.776 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.803 10.403 1.608 1.00 0.00 H new ATOM 990 N PRO A 69 -15.471 5.577 -2.689 1.00 0.00 N ATOM 991 CA PRO A 69 -15.417 4.867 -3.971 1.00 0.00 C ATOM 992 C PRO A 69 -14.348 5.433 -4.901 1.00 0.00 C ATOM 993 O PRO A 69 -14.392 6.607 -5.271 1.00 0.00 O ATOM 994 CB PRO A 69 -16.812 5.087 -4.566 1.00 0.00 C ATOM 995 CG PRO A 69 -17.685 5.376 -3.395 1.00 0.00 C ATOM 996 CD PRO A 69 -16.819 6.102 -2.405 1.00 0.00 C ATOM 0 HA PRO A 69 -15.158 3.816 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.814 5.915 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.155 4.205 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.540 5.986 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.081 4.455 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.868 7.182 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.123 5.898 -1.378 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.390 4.590 -5.274 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.307 5.002 -6.162 1.00 0.00 C ATOM 1006 C ASN A 70 -11.443 6.080 -5.512 1.00 0.00 C ATOM 1007 O ASN A 70 -11.194 7.131 -6.103 1.00 0.00 O ATOM 1008 CB ASN A 70 -12.873 5.511 -7.491 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.034 4.404 -8.514 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -12.131 4.140 -9.308 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.189 3.749 -8.500 1.00 0.00 N ATOM 0 H ASN A 70 -13.341 3.616 -4.975 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.679 4.132 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.840 5.982 -7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.213 6.280 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.355 2.994 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.910 4.001 -7.824 1.00 0.00 H new ATOM 1018 N TYR A 71 -10.982 5.810 -4.295 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.140 6.755 -3.568 1.00 0.00 C ATOM 1020 C TYR A 71 -8.774 6.146 -3.268 1.00 0.00 C ATOM 1021 O TYR A 71 -7.746 6.810 -3.396 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.816 7.182 -2.263 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.699 8.401 -2.407 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.882 8.344 -3.133 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.349 9.610 -1.816 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.692 9.456 -3.267 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.154 10.725 -1.946 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.323 10.644 -2.672 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.127 11.753 -2.802 1.00 0.00 O ATOM 0 H TYR A 71 -11.177 4.945 -3.791 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.999 7.633 -4.198 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.415 6.353 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.049 7.386 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.174 7.415 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.434 9.678 -1.247 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.609 9.395 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.869 11.657 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.724 12.507 -2.322 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.774 4.879 -2.868 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.530 4.200 -2.556 1.00 0.00 C ATOM 1041 C GLY A 72 -7.088 3.261 -3.661 1.00 0.00 C ATOM 1042 O GLY A 72 -7.842 2.992 -4.596 1.00 0.00 O ATOM 0 H GLY A 72 -9.613 4.310 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.750 4.941 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.650 3.636 -1.631 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.862 2.759 -3.553 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.320 1.845 -4.551 1.00 0.00 C ATOM 1048 C VAL A 73 -4.451 0.775 -3.901 1.00 0.00 C ATOM 1049 O VAL A 73 -3.950 0.957 -2.791 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.485 2.595 -5.606 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.391 3.357 -6.563 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.496 3.535 -4.934 1.00 0.00 C ATOM 0 H VAL A 73 -5.225 2.970 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.171 1.372 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.921 1.863 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.783 3.880 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.055 2.657 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.985 4.080 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.915 4.056 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.038 4.262 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.825 2.961 -4.295 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.275 -0.343 -4.599 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.465 -1.444 -4.090 1.00 0.00 C ATOM 1064 C LEU A 74 -2.201 -1.620 -4.925 1.00 0.00 C ATOM 1065 O LEU A 74 -2.268 -1.797 -6.141 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.275 -2.742 -4.090 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.121 -2.978 -2.839 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.284 -3.910 -3.147 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.264 -3.546 -1.717 1.00 0.00 C ATOM 0 H LEU A 74 -4.683 -0.510 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.173 -1.206 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.932 -2.742 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.589 -3.580 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.527 -2.021 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.874 -4.066 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.912 -3.465 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.900 -4.867 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.882 -3.708 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.830 -4.494 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.466 -2.843 -1.478 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.049 -1.569 -4.262 1.00 0.00 N ATOM 1082 CA VAL A 75 0.231 -1.722 -4.944 1.00 0.00 C ATOM 1083 C VAL A 75 1.273 -2.348 -4.023 1.00 0.00 C ATOM 1084 O VAL A 75 1.113 -2.355 -2.803 1.00 0.00 O ATOM 1085 CB VAL A 75 0.761 -0.370 -5.457 1.00 0.00 C ATOM 1086 CG1 VAL A 75 0.006 0.062 -6.704 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.661 0.690 -4.370 1.00 0.00 C ATOM 0 H VAL A 75 -0.976 -1.423 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 75 0.059 -2.381 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 75 1.812 -0.489 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.395 1.019 -7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.135 -0.687 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.054 0.164 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.040 1.638 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.381 0.809 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.252 0.383 -3.507 1.00 0.00 H new ATOM 1097 N ARG A 76 2.339 -2.874 -4.616 1.00 0.00 N ATOM 1098 CA ARG A 76 3.408 -3.504 -3.850 1.00 0.00 C ATOM 1099 C ARG A 76 4.564 -2.532 -3.625 1.00 0.00 C ATOM 1100 O ARG A 76 4.708 -1.549 -4.349 1.00 0.00 O ATOM 1101 CB ARG A 76 3.913 -4.755 -4.572 1.00 0.00 C ATOM 1102 CG ARG A 76 2.802 -5.633 -5.122 1.00 0.00 C ATOM 1103 CD ARG A 76 3.360 -6.863 -5.821 1.00 0.00 C ATOM 1104 NE ARG A 76 2.550 -7.255 -6.972 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.980 -8.059 -7.941 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.210 -8.557 -7.903 1.00 0.00 N ATOM 1107 NH2 ARG A 76 2.178 -8.365 -8.952 1.00 0.00 N ATOM 0 H ARG A 76 2.486 -2.877 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 76 3.004 -3.791 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.564 -4.452 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.520 -5.342 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.144 -5.942 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.195 -5.059 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.380 -6.662 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.409 -7.691 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 76 1.599 -6.891 -7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.831 -8.324 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.534 -9.173 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.232 -7.984 -8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.507 -8.981 -9.695 1.00 0.00 H new ATOM 1121 N PRO A 77 5.407 -2.797 -2.608 1.00 0.00 N ATOM 1122 CA PRO A 77 6.552 -1.944 -2.294 1.00 0.00 C ATOM 1123 C PRO A 77 7.312 -1.548 -3.551 1.00 0.00 C ATOM 1124 O PRO A 77 7.492 -0.367 -3.840 1.00 0.00 O ATOM 1125 CB PRO A 77 7.411 -2.836 -1.400 1.00 0.00 C ATOM 1126 CG PRO A 77 6.434 -3.723 -0.712 1.00 0.00 C ATOM 1127 CD PRO A 77 5.308 -3.949 -1.690 1.00 0.00 C ATOM 0 HA PRO A 77 6.263 -1.005 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.127 -3.413 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.985 -2.247 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.898 -4.667 -0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.067 -3.261 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.421 -4.895 -2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.341 -3.979 -1.188 1.00 0.00 H new ATOM 1135 N SER A 78 7.738 -2.557 -4.306 1.00 0.00 N ATOM 1136 CA SER A 78 8.457 -2.327 -5.548 1.00 0.00 C ATOM 1137 C SER A 78 7.630 -1.439 -6.469 1.00 0.00 C ATOM 1138 O SER A 78 8.168 -0.763 -7.345 1.00 0.00 O ATOM 1139 CB SER A 78 8.769 -3.656 -6.239 1.00 0.00 C ATOM 1140 OG SER A 78 9.363 -4.573 -5.336 1.00 0.00 O ATOM 0 H SER A 78 7.596 -3.541 -4.076 1.00 0.00 H new ATOM 0 HA SER A 78 9.398 -1.826 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.852 -4.083 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.440 -3.483 -7.081 1.00 0.00 H new ATOM 0 HG SER A 78 9.551 -5.415 -5.801 1.00 0.00 H new ATOM 1146 N ARG A 79 6.315 -1.434 -6.251 1.00 0.00 N ATOM 1147 CA ARG A 79 5.420 -0.614 -7.051 1.00 0.00 C ATOM 1148 C ARG A 79 5.253 0.771 -6.427 1.00 0.00 C ATOM 1149 O ARG A 79 4.689 1.672 -7.048 1.00 0.00 O ATOM 1150 CB ARG A 79 4.056 -1.292 -7.200 1.00 0.00 C ATOM 1151 CG ARG A 79 4.134 -2.687 -7.803 1.00 0.00 C ATOM 1152 CD ARG A 79 3.050 -2.910 -8.848 1.00 0.00 C ATOM 1153 NE ARG A 79 3.607 -3.336 -10.130 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.961 -3.236 -11.289 1.00 0.00 C ATOM 1155 NH1 ARG A 79 1.735 -2.729 -11.333 1.00 0.00 N ATOM 1156 NH2 ARG A 79 3.541 -3.646 -12.408 1.00 0.00 N ATOM 0 H ARG A 79 5.852 -1.987 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 79 5.862 -0.498 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.581 -1.354 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.416 -0.670 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.114 -2.832 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.036 -3.431 -7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.349 -3.663 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.484 -1.989 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 79 4.546 -3.733 -10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.283 -2.413 -10.475 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.245 -2.655 -12.225 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.482 -4.038 -12.381 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.046 -3.570 -13.297 1.00 0.00 H new ATOM 1170 N VAL A 80 5.748 0.941 -5.198 1.00 0.00 N ATOM 1171 CA VAL A 80 5.644 2.230 -4.518 1.00 0.00 C ATOM 1172 C VAL A 80 7.019 2.768 -4.135 1.00 0.00 C ATOM 1173 O VAL A 80 7.884 2.024 -3.672 1.00 0.00 O ATOM 1174 CB VAL A 80 4.768 2.139 -3.253 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.323 1.846 -3.622 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.305 1.083 -2.301 1.00 0.00 C ATOM 0 H VAL A 80 6.218 0.212 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 80 5.174 2.915 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 80 4.802 3.103 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.721 1.786 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.941 2.644 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.269 0.898 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.672 1.036 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.307 0.113 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.322 1.342 -2.006 1.00 0.00 H new ATOM 1186 N THR A 81 7.214 4.068 -4.332 1.00 0.00 N ATOM 1187 CA THR A 81 8.485 4.705 -4.008 1.00 0.00 C ATOM 1188 C THR A 81 8.540 5.089 -2.533 1.00 0.00 C ATOM 1189 O THR A 81 7.513 5.377 -1.917 1.00 0.00 O ATOM 1190 CB THR A 81 8.695 5.945 -4.879 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.088 5.774 -6.147 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.154 6.274 -5.108 1.00 0.00 C ATOM 0 H THR A 81 6.510 4.700 -4.714 1.00 0.00 H new ATOM 0 HA THR A 81 9.283 3.990 -4.209 1.00 0.00 H new ATOM 0 HB THR A 81 8.236 6.767 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.123 5.925 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.233 7.164 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.640 6.459 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.642 5.436 -5.606 1.00 0.00 H new