USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 524 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.167! K(o=-0.17!,f=-1.5) USER MOD Set 2.1: A 66 THR OG1 : rot 180:sc= -0.854 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.385 K(o=-1.2,f=-2.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc=-0.00189 F(o=-0.6,f=-0.0019) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -24:sc= 0.435 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -1.07 (180deg=-1.82) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -132:sc= -2.7 (180deg=-5.39!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 41 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.11) USER MOD Single : A 43 SER OG : rot 130:sc= 0.185 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -1.17 (180deg=-3.23!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.92! C(o=-4.6!,f=-2.9!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.518 K(o=-0.52,f=-4.2!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 80 SER OG : rot -42:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.798 -2.123 -5.518 1.00 0.00 N ATOM 148 CA ILE A 13 14.320 -2.013 -5.372 1.00 0.00 C ATOM 149 C ILE A 13 13.793 -3.266 -4.666 1.00 0.00 C ATOM 150 O ILE A 13 14.292 -4.355 -4.873 1.00 0.00 O ATOM 151 CB ILE A 13 13.685 -1.902 -6.765 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.397 -0.810 -7.575 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.197 -1.559 -6.644 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.441 0.501 -6.778 1.00 0.00 C ATOM 0 HA ILE A 13 14.067 -1.130 -4.785 1.00 0.00 H new ATOM 0 HB ILE A 13 13.789 -2.860 -7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.410 -1.130 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.878 -0.652 -8.520 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.759 -1.483 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.688 -2.342 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.084 -0.607 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.949 1.267 -7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.425 0.827 -6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.981 0.341 -5.845 1.00 0.00 H new ATOM 166 N ILE A 14 12.812 -3.118 -3.810 1.00 0.00 N ATOM 167 CA ILE A 14 12.265 -4.286 -3.050 1.00 0.00 C ATOM 168 C ILE A 14 10.754 -4.382 -3.269 1.00 0.00 C ATOM 169 O ILE A 14 10.088 -3.382 -3.453 1.00 0.00 O ATOM 170 CB ILE A 14 12.546 -4.054 -1.562 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.061 -3.964 -1.353 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.987 -5.212 -0.731 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.361 -3.531 0.082 1.00 0.00 C ATOM 0 H ILE A 14 12.361 -2.227 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 14 12.732 -5.210 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 14 12.066 -3.129 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.523 -4.930 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.493 -3.251 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.193 -5.035 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.910 -5.283 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.459 -6.144 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.440 -3.469 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.913 -2.555 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.944 -4.260 0.777 1.00 0.00 H new ATOM 185 N THR A 15 10.202 -5.569 -3.220 1.00 0.00 N ATOM 186 CA THR A 15 8.726 -5.741 -3.391 1.00 0.00 C ATOM 187 C THR A 15 8.190 -6.550 -2.220 1.00 0.00 C ATOM 188 O THR A 15 8.859 -7.406 -1.675 1.00 0.00 O ATOM 189 CB THR A 15 8.408 -6.476 -4.693 1.00 0.00 C ATOM 190 OG1 THR A 15 7.001 -6.636 -4.803 1.00 0.00 O ATOM 191 CG2 THR A 15 9.075 -7.848 -4.708 1.00 0.00 C ATOM 0 H THR A 15 10.717 -6.436 -3.067 1.00 0.00 H new ATOM 0 HA THR A 15 8.259 -4.757 -3.427 1.00 0.00 H new ATOM 0 HB THR A 15 8.787 -5.893 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.789 -7.105 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.838 -8.358 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.155 -7.728 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.709 -8.440 -3.869 1.00 0.00 H new ATOM 199 N THR A 16 6.983 -6.286 -1.836 1.00 0.00 N ATOM 200 CA THR A 16 6.369 -7.032 -0.700 1.00 0.00 C ATOM 201 C THR A 16 4.864 -7.134 -0.948 1.00 0.00 C ATOM 202 O THR A 16 4.262 -6.205 -1.451 1.00 0.00 O ATOM 203 CB THR A 16 6.632 -6.276 0.606 1.00 0.00 C ATOM 204 OG1 THR A 16 6.005 -6.957 1.683 1.00 0.00 O ATOM 205 CG2 THR A 16 6.071 -4.858 0.499 1.00 0.00 C ATOM 0 H THR A 16 6.383 -5.579 -2.261 1.00 0.00 H new ATOM 0 HA THR A 16 6.801 -8.030 -0.623 1.00 0.00 H new ATOM 0 HB THR A 16 7.706 -6.226 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.175 -6.474 2.519 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.259 -4.321 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.556 -4.336 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.997 -4.904 0.317 1.00 0.00 H new ATOM 213 N GLN A 17 4.246 -8.250 -0.617 1.00 0.00 N ATOM 214 CA GLN A 17 2.768 -8.388 -0.862 1.00 0.00 C ATOM 215 C GLN A 17 2.008 -8.343 0.463 1.00 0.00 C ATOM 216 O GLN A 17 2.480 -8.811 1.480 1.00 0.00 O ATOM 217 CB GLN A 17 2.478 -9.711 -1.575 1.00 0.00 C ATOM 218 CG GLN A 17 3.097 -9.690 -2.972 1.00 0.00 C ATOM 219 CD GLN A 17 2.962 -11.074 -3.610 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.232 -12.135 -2.899 1.00 0.00 O flip ATOM 221 NE2 GLN A 17 2.606 -11.191 -4.765 1.00 0.00 N flip ATOM 0 H GLN A 17 4.695 -9.062 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 17 2.439 -7.560 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.885 -10.542 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.402 -9.869 -1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.600 -8.943 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.148 -9.406 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.395 -10.362 -5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.518 -12.119 -5.180 1.00 0.00 H new ATOM 230 N VAL A 18 0.829 -7.771 0.449 1.00 0.00 N ATOM 231 CA VAL A 18 -0.001 -7.663 1.687 1.00 0.00 C ATOM 232 C VAL A 18 -1.372 -8.285 1.411 1.00 0.00 C ATOM 233 O VAL A 18 -1.825 -8.325 0.286 1.00 0.00 O ATOM 234 CB VAL A 18 -0.192 -6.176 2.020 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.710 -6.026 3.452 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.147 -5.449 1.884 1.00 0.00 C ATOM 0 H VAL A 18 0.400 -7.367 -0.384 1.00 0.00 H new ATOM 0 HA VAL A 18 0.486 -8.176 2.517 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.916 -5.743 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.843 -4.969 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.665 -6.542 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.009 -6.460 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.013 -4.393 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.870 -5.886 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.513 -5.549 0.862 1.00 0.00 H new ATOM 246 N THR A 19 -2.035 -8.760 2.434 1.00 0.00 N ATOM 247 CA THR A 19 -3.390 -9.377 2.259 1.00 0.00 C ATOM 248 C THR A 19 -4.358 -8.676 3.220 1.00 0.00 C ATOM 249 O THR A 19 -4.079 -8.528 4.393 1.00 0.00 O ATOM 250 CB THR A 19 -3.311 -10.876 2.582 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.120 -11.414 2.024 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.521 -11.597 1.988 1.00 0.00 C ATOM 0 H THR A 19 -1.694 -8.748 3.395 1.00 0.00 H new ATOM 0 HA THR A 19 -3.739 -9.261 1.233 1.00 0.00 H new ATOM 0 HB THR A 19 -3.306 -11.013 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.065 -12.371 2.230 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.461 -12.660 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.436 -11.184 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.531 -11.461 0.907 1.00 0.00 H new ATOM 260 N ILE A 20 -5.487 -8.228 2.721 1.00 0.00 N ATOM 261 CA ILE A 20 -6.490 -7.511 3.584 1.00 0.00 C ATOM 262 C ILE A 20 -7.867 -8.202 3.434 1.00 0.00 C ATOM 263 O ILE A 20 -8.275 -8.492 2.326 1.00 0.00 O ATOM 264 CB ILE A 20 -6.614 -6.039 3.086 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.124 -5.944 1.637 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.769 -5.104 3.965 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.615 -4.645 1.001 1.00 0.00 C ATOM 0 H ILE A 20 -5.761 -8.328 1.744 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.171 -7.534 4.626 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.660 -5.737 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.035 -5.982 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.487 -6.798 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.866 -4.080 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.118 -5.160 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.723 -5.408 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.261 -4.587 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.705 -4.624 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.230 -3.795 1.565 1.00 0.00 H new ATOM 279 N PRO A 21 -8.610 -8.438 4.499 1.00 0.00 N ATOM 280 CA PRO A 21 -9.953 -9.065 4.342 1.00 0.00 C ATOM 281 C PRO A 21 -10.877 -8.187 3.479 1.00 0.00 C ATOM 282 O PRO A 21 -10.873 -6.976 3.584 1.00 0.00 O ATOM 283 CB PRO A 21 -10.460 -9.171 5.796 1.00 0.00 C ATOM 284 CG PRO A 21 -9.416 -8.524 6.729 1.00 0.00 C ATOM 285 CD PRO A 21 -8.187 -8.120 5.893 1.00 0.00 C ATOM 0 HA PRO A 21 -9.924 -10.029 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.422 -8.669 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.615 -10.215 6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.841 -7.650 7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.126 -9.223 7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.948 -7.063 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.299 -8.682 6.183 1.00 0.00 H new ATOM 293 N LYS A 22 -11.644 -8.785 2.611 1.00 0.00 N ATOM 294 CA LYS A 22 -12.539 -7.986 1.723 1.00 0.00 C ATOM 295 C LYS A 22 -13.263 -6.884 2.509 1.00 0.00 C ATOM 296 O LYS A 22 -13.444 -5.788 2.018 1.00 0.00 O ATOM 297 CB LYS A 22 -13.570 -8.912 1.059 1.00 0.00 C ATOM 298 CG LYS A 22 -14.496 -9.522 2.114 1.00 0.00 C ATOM 299 CD LYS A 22 -15.395 -10.570 1.454 1.00 0.00 C ATOM 300 CE LYS A 22 -16.173 -11.329 2.531 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.230 -12.159 1.889 1.00 0.00 N ATOM 0 H LYS A 22 -11.691 -9.795 2.477 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.924 -7.510 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.157 -8.351 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.058 -9.705 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.908 -9.980 2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.104 -8.743 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.087 -10.088 0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.792 -11.264 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.497 -11.963 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.623 -10.627 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.759 -12.675 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.881 -11.544 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.789 -12.839 1.237 1.00 0.00 H new ATOM 315 N ASP A 23 -13.708 -7.161 3.705 1.00 0.00 N ATOM 316 CA ASP A 23 -14.446 -6.119 4.480 1.00 0.00 C ATOM 317 C ASP A 23 -13.546 -4.914 4.782 1.00 0.00 C ATOM 318 O ASP A 23 -13.924 -3.773 4.563 1.00 0.00 O ATOM 319 CB ASP A 23 -14.973 -6.717 5.785 1.00 0.00 C ATOM 320 CG ASP A 23 -15.879 -5.703 6.488 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.652 -4.516 6.317 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.783 -6.131 7.186 1.00 0.00 O ATOM 0 H ASP A 23 -13.594 -8.058 4.178 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.284 -5.774 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.527 -7.633 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.141 -6.987 6.435 1.00 0.00 H new ATOM 327 N LEU A 24 -12.349 -5.133 5.247 1.00 0.00 N ATOM 328 CA LEU A 24 -11.442 -3.989 5.523 1.00 0.00 C ATOM 329 C LEU A 24 -10.886 -3.488 4.198 1.00 0.00 C ATOM 330 O LEU A 24 -10.435 -2.366 4.082 1.00 0.00 O ATOM 331 CB LEU A 24 -10.272 -4.439 6.407 1.00 0.00 C ATOM 332 CG LEU A 24 -10.780 -5.011 7.742 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.576 -5.363 8.634 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.669 -3.977 8.459 1.00 0.00 C ATOM 0 H LEU A 24 -11.961 -6.055 5.447 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.996 -3.203 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.685 -5.194 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.609 -3.595 6.597 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.369 -5.907 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.931 -5.769 9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.955 -6.105 8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.988 -4.465 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.023 -4.393 9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.091 -3.074 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.523 -3.732 7.828 1.00 0.00 H new ATOM 346 N ALA A 25 -10.903 -4.323 3.196 1.00 0.00 N ATOM 347 CA ALA A 25 -10.366 -3.915 1.878 1.00 0.00 C ATOM 348 C ALA A 25 -11.192 -2.755 1.330 1.00 0.00 C ATOM 349 O ALA A 25 -10.682 -1.835 0.725 1.00 0.00 O ATOM 350 CB ALA A 25 -10.467 -5.095 0.912 1.00 0.00 C ATOM 0 H ALA A 25 -11.269 -5.274 3.239 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.326 -3.607 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.073 -4.803 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.889 -5.934 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.511 -5.391 0.807 1.00 0.00 H new ATOM 356 N ARG A 26 -12.482 -2.806 1.544 1.00 0.00 N ATOM 357 CA ARG A 26 -13.362 -1.719 1.041 1.00 0.00 C ATOM 358 C ARG A 26 -13.185 -0.503 1.940 1.00 0.00 C ATOM 359 O ARG A 26 -13.336 0.622 1.509 1.00 0.00 O ATOM 360 CB ARG A 26 -14.821 -2.177 1.039 1.00 0.00 C ATOM 361 CG ARG A 26 -14.991 -3.326 0.042 1.00 0.00 C ATOM 362 CD ARG A 26 -16.429 -3.844 0.096 1.00 0.00 C ATOM 363 NE ARG A 26 -16.717 -4.369 1.460 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.950 -4.589 1.827 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.930 -4.353 0.999 1.00 0.00 N ATOM 366 NH2 ARG A 26 -18.203 -5.048 3.023 1.00 0.00 N ATOM 0 H ARG A 26 -12.960 -3.555 2.045 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.091 -1.463 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.113 -2.501 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.474 -1.347 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.755 -2.984 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.295 -4.131 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.125 -3.042 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.572 -4.630 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.951 -4.556 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.733 -3.996 0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.893 -4.525 1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.437 -5.235 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.167 -5.220 3.310 1.00 0.00 H new ATOM 380 N SER A 27 -12.851 -0.711 3.185 1.00 0.00 N ATOM 381 CA SER A 27 -12.649 0.442 4.099 1.00 0.00 C ATOM 382 C SER A 27 -11.321 1.122 3.753 1.00 0.00 C ATOM 383 O SER A 27 -11.163 2.314 3.923 1.00 0.00 O ATOM 384 CB SER A 27 -12.596 -0.062 5.542 1.00 0.00 C ATOM 385 OG SER A 27 -11.437 -0.866 5.716 1.00 0.00 O ATOM 0 H SER A 27 -12.710 -1.630 3.605 1.00 0.00 H new ATOM 0 HA SER A 27 -13.469 1.151 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.575 0.781 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.491 -0.640 5.771 1.00 0.00 H new ATOM 0 HG SER A 27 -11.160 -1.233 4.850 1.00 0.00 H new ATOM 391 N ILE A 28 -10.346 0.363 3.311 1.00 0.00 N ATOM 392 CA ILE A 28 -9.013 0.955 3.003 1.00 0.00 C ATOM 393 C ILE A 28 -8.976 1.485 1.568 1.00 0.00 C ATOM 394 O ILE A 28 -8.472 2.558 1.299 1.00 0.00 O ATOM 395 CB ILE A 28 -7.955 -0.138 3.162 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.904 -0.593 4.623 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.591 0.402 2.744 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.114 -1.901 4.729 1.00 0.00 C ATOM 0 H ILE A 28 -10.420 -0.642 3.151 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.820 1.785 3.683 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.214 -0.986 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.436 0.176 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.915 -0.735 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.840 -0.379 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.629 0.719 1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.328 1.253 3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.080 -2.222 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.600 -2.670 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.099 -1.744 4.364 1.00 0.00 H new ATOM 410 N ILE A 29 -9.489 0.723 0.642 1.00 0.00 N ATOM 411 CA ILE A 29 -9.461 1.171 -0.779 1.00 0.00 C ATOM 412 C ILE A 29 -10.418 2.346 -0.976 1.00 0.00 C ATOM 413 O ILE A 29 -10.151 3.234 -1.754 1.00 0.00 O ATOM 414 CB ILE A 29 -9.859 0.012 -1.700 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.892 -1.166 -1.507 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.801 0.479 -3.157 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.497 -2.430 -2.122 1.00 0.00 C ATOM 0 H ILE A 29 -9.924 -0.185 0.806 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.450 1.493 -1.029 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.871 -0.309 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.933 -0.944 -1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.699 -1.322 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.084 -0.343 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.490 1.311 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.788 0.802 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.811 -3.266 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.445 -2.655 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.667 -2.271 -3.187 1.00 0.00 H new ATOM 429 N GLY A 30 -11.538 2.368 -0.309 1.00 0.00 N ATOM 430 CA GLY A 30 -12.494 3.494 -0.515 1.00 0.00 C ATOM 431 C GLY A 30 -13.399 3.142 -1.697 1.00 0.00 C ATOM 432 O GLY A 30 -13.381 2.032 -2.191 1.00 0.00 O ATOM 0 H GLY A 30 -11.832 1.661 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.089 3.657 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.954 4.420 -0.712 1.00 0.00 H new ATOM 436 N LYS A 31 -14.177 4.078 -2.167 1.00 0.00 N ATOM 437 CA LYS A 31 -15.069 3.796 -3.333 1.00 0.00 C ATOM 438 C LYS A 31 -14.345 4.171 -4.631 1.00 0.00 C ATOM 439 O LYS A 31 -14.340 3.424 -5.588 1.00 0.00 O ATOM 440 CB LYS A 31 -16.345 4.631 -3.211 1.00 0.00 C ATOM 441 CG LYS A 31 -17.116 4.214 -1.955 1.00 0.00 C ATOM 442 CD LYS A 31 -18.553 4.737 -2.035 1.00 0.00 C ATOM 443 CE LYS A 31 -18.538 6.250 -2.253 1.00 0.00 C ATOM 444 NZ LYS A 31 -17.517 6.870 -1.361 1.00 0.00 N ATOM 0 H LYS A 31 -14.235 5.026 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.323 2.736 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.094 5.691 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.968 4.492 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.119 3.128 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.624 4.609 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.084 4.247 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.089 4.497 -1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.311 6.476 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.522 6.668 -2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.823 7.828 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.409 6.292 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.606 6.922 -1.860 1.00 0.00 H new ATOM 458 N GLY A 32 -13.747 5.335 -4.670 1.00 0.00 N ATOM 459 CA GLY A 32 -13.032 5.788 -5.904 1.00 0.00 C ATOM 460 C GLY A 32 -11.519 5.584 -5.759 1.00 0.00 C ATOM 461 O GLY A 32 -10.746 6.094 -6.545 1.00 0.00 O ATOM 0 H GLY A 32 -13.723 5.997 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.398 5.232 -6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.246 6.841 -6.089 1.00 0.00 H new ATOM 465 N GLY A 33 -11.084 4.843 -4.777 1.00 0.00 N ATOM 466 CA GLY A 33 -9.617 4.619 -4.615 1.00 0.00 C ATOM 467 C GLY A 33 -8.930 5.934 -4.233 1.00 0.00 C ATOM 468 O GLY A 33 -7.727 5.966 -4.064 1.00 0.00 O ATOM 0 H GLY A 33 -11.675 4.385 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.437 3.868 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.194 4.233 -5.543 1.00 0.00 H new ATOM 472 N GLN A 34 -9.645 7.025 -4.134 1.00 0.00 N ATOM 473 CA GLN A 34 -8.967 8.321 -3.804 1.00 0.00 C ATOM 474 C GLN A 34 -7.985 8.115 -2.639 1.00 0.00 C ATOM 475 O GLN A 34 -7.131 8.943 -2.388 1.00 0.00 O ATOM 476 CB GLN A 34 -10.031 9.349 -3.390 1.00 0.00 C ATOM 477 CG GLN A 34 -10.753 9.884 -4.632 1.00 0.00 C ATOM 478 CD GLN A 34 -11.871 10.836 -4.204 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.035 10.556 -4.410 1.00 0.00 O ATOM 480 NE2 GLN A 34 -11.565 11.959 -3.614 1.00 0.00 N ATOM 0 H GLN A 34 -10.655 7.079 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.420 8.677 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.749 8.888 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.563 10.171 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.047 10.404 -5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.167 9.057 -5.209 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.588 12.194 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.303 12.601 -3.326 1.00 0.00 H new ATOM 489 N ARG A 35 -8.110 7.037 -1.910 1.00 0.00 N ATOM 490 CA ARG A 35 -7.194 6.816 -0.744 1.00 0.00 C ATOM 491 C ARG A 35 -5.862 6.207 -1.203 1.00 0.00 C ATOM 492 O ARG A 35 -4.819 6.575 -0.701 1.00 0.00 O ATOM 493 CB ARG A 35 -7.861 5.871 0.274 1.00 0.00 C ATOM 494 CG ARG A 35 -7.070 5.876 1.599 1.00 0.00 C ATOM 495 CD ARG A 35 -7.581 6.994 2.518 1.00 0.00 C ATOM 496 NE ARG A 35 -8.980 6.693 2.932 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.512 7.327 3.941 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.820 8.226 4.588 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.738 7.063 4.304 1.00 0.00 N ATOM 0 H ARG A 35 -8.801 6.303 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.997 7.782 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.889 6.185 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.903 4.859 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.173 4.911 2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.008 6.019 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.941 7.079 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.541 7.952 2.000 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.522 5.992 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.862 8.433 4.305 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.237 8.721 5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.280 6.361 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.154 7.558 5.093 1.00 0.00 H new ATOM 513 N ILE A 36 -5.853 5.302 -2.147 1.00 0.00 N ATOM 514 CA ILE A 36 -4.538 4.740 -2.584 1.00 0.00 C ATOM 515 C ILE A 36 -3.797 5.789 -3.430 1.00 0.00 C ATOM 516 O ILE A 36 -2.598 5.724 -3.608 1.00 0.00 O ATOM 517 CB ILE A 36 -4.742 3.430 -3.368 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.434 2.617 -3.394 1.00 0.00 C ATOM 519 CG2 ILE A 36 -5.147 3.734 -4.809 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.045 2.143 -1.989 1.00 0.00 C ATOM 0 H ILE A 36 -6.676 4.934 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.933 4.503 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.527 2.858 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.552 1.755 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.632 3.227 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.288 2.800 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.078 4.300 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.364 4.319 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.118 1.572 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.903 3.007 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.837 1.512 -1.586 1.00 0.00 H new ATOM 532 N LYS A 37 -4.510 6.758 -3.942 1.00 0.00 N ATOM 533 CA LYS A 37 -3.857 7.817 -4.764 1.00 0.00 C ATOM 534 C LYS A 37 -3.070 8.751 -3.843 1.00 0.00 C ATOM 535 O LYS A 37 -1.910 9.032 -4.075 1.00 0.00 O ATOM 536 CB LYS A 37 -4.931 8.620 -5.506 1.00 0.00 C ATOM 537 CG LYS A 37 -4.257 9.649 -6.418 1.00 0.00 C ATOM 538 CD LYS A 37 -5.299 10.283 -7.351 1.00 0.00 C ATOM 539 CE LYS A 37 -6.234 11.210 -6.562 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.279 10.399 -5.875 1.00 0.00 N ATOM 0 H LYS A 37 -5.518 6.861 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.182 7.358 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.559 7.951 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.583 9.123 -4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.777 10.421 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.474 9.169 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.797 10.847 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.880 9.502 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.663 11.781 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.701 11.930 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.214 10.819 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.262 9.427 -6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.090 10.384 -4.852 1.00 0.00 H new ATOM 554 N GLN A 38 -3.689 9.239 -2.803 1.00 0.00 N ATOM 555 CA GLN A 38 -2.968 10.157 -1.876 1.00 0.00 C ATOM 556 C GLN A 38 -1.743 9.443 -1.298 1.00 0.00 C ATOM 557 O GLN A 38 -0.650 9.973 -1.294 1.00 0.00 O ATOM 558 CB GLN A 38 -3.899 10.576 -0.736 1.00 0.00 C ATOM 559 CG GLN A 38 -3.209 11.643 0.117 1.00 0.00 C ATOM 560 CD GLN A 38 -4.174 12.140 1.194 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.363 11.903 1.117 1.00 0.00 O ATOM 562 NE2 GLN A 38 -3.709 12.825 2.202 1.00 0.00 N ATOM 0 H GLN A 38 -4.659 9.043 -2.556 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.648 11.043 -2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.834 10.965 -1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.152 9.712 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.313 11.230 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.889 12.474 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.711 13.024 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.344 13.162 2.926 1.00 0.00 H new ATOM 571 N ILE A 39 -1.914 8.245 -0.812 1.00 0.00 N ATOM 572 CA ILE A 39 -0.758 7.500 -0.238 1.00 0.00 C ATOM 573 C ILE A 39 0.327 7.347 -1.306 1.00 0.00 C ATOM 574 O ILE A 39 1.508 7.367 -1.017 1.00 0.00 O ATOM 575 CB ILE A 39 -1.222 6.116 0.218 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.296 6.269 1.297 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.034 5.339 0.790 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.952 4.913 1.561 1.00 0.00 C ATOM 0 H ILE A 39 -2.805 7.749 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.356 8.048 0.614 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.634 5.574 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.852 6.655 2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.047 6.992 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.366 4.353 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.732 5.229 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.379 5.881 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.717 5.022 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.410 4.546 0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.197 4.203 1.899 1.00 0.00 H new ATOM 590 N ARG A 40 -0.065 7.188 -2.541 1.00 0.00 N ATOM 591 CA ARG A 40 0.937 7.024 -3.635 1.00 0.00 C ATOM 592 C ARG A 40 1.850 8.253 -3.699 1.00 0.00 C ATOM 593 O ARG A 40 3.053 8.151 -3.569 1.00 0.00 O ATOM 594 CB ARG A 40 0.212 6.868 -4.975 1.00 0.00 C ATOM 595 CG ARG A 40 1.200 6.382 -6.040 1.00 0.00 C ATOM 596 CD ARG A 40 0.452 6.078 -7.342 1.00 0.00 C ATOM 597 NE ARG A 40 1.371 5.394 -8.294 1.00 0.00 N ATOM 598 CZ ARG A 40 0.891 4.786 -9.343 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.396 4.780 -9.561 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.696 4.187 -10.176 1.00 0.00 N ATOM 0 H ARG A 40 -1.040 7.164 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 40 1.538 6.137 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.609 6.158 -4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.225 7.820 -5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.962 7.142 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.716 5.488 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.413 5.447 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.076 7.002 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 40 2.377 5.401 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.026 5.251 -8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.772 4.305 -10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.702 4.194 -10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.320 3.712 -10.996 1.00 0.00 H new ATOM 614 N HIS A 41 1.288 9.410 -3.916 1.00 0.00 N ATOM 615 CA HIS A 41 2.125 10.642 -4.009 1.00 0.00 C ATOM 616 C HIS A 41 2.742 10.965 -2.645 1.00 0.00 C ATOM 617 O HIS A 41 3.867 11.413 -2.555 1.00 0.00 O ATOM 618 CB HIS A 41 1.250 11.813 -4.459 1.00 0.00 C ATOM 619 CG HIS A 41 0.475 11.419 -5.687 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.722 12.023 -6.033 1.00 0.00 N ATOM 621 CD2 HIS A 41 0.716 10.480 -6.662 1.00 0.00 C ATOM 622 CE1 HIS A 41 -1.154 11.449 -7.170 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.314 10.502 -7.597 1.00 0.00 N ATOM 0 H HIS A 41 0.285 9.557 -4.033 1.00 0.00 H new ATOM 0 HA HIS A 41 2.925 10.477 -4.731 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.565 12.097 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.871 12.684 -4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.574 9.825 -6.697 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -2.069 11.721 -7.676 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -0.408 9.920 -8.430 1.00 0.00 H new ATOM 631 N GLU A 42 2.014 10.753 -1.584 1.00 0.00 N ATOM 632 CA GLU A 42 2.562 11.062 -0.232 1.00 0.00 C ATOM 633 C GLU A 42 3.768 10.168 0.067 1.00 0.00 C ATOM 634 O GLU A 42 4.774 10.622 0.576 1.00 0.00 O ATOM 635 CB GLU A 42 1.481 10.835 0.826 1.00 0.00 C ATOM 636 CG GLU A 42 1.939 11.429 2.160 1.00 0.00 C ATOM 637 CD GLU A 42 1.913 12.956 2.075 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.828 13.508 2.015 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.980 13.547 2.069 1.00 0.00 O ATOM 0 H GLU A 42 1.065 10.380 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 42 2.880 12.104 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.546 11.299 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.286 9.769 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.288 11.088 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.946 11.085 2.397 1.00 0.00 H new ATOM 646 N SER A 43 3.674 8.898 -0.225 1.00 0.00 N ATOM 647 CA SER A 43 4.815 7.979 0.065 1.00 0.00 C ATOM 648 C SER A 43 5.805 7.977 -1.102 1.00 0.00 C ATOM 649 O SER A 43 6.961 7.637 -0.945 1.00 0.00 O ATOM 650 CB SER A 43 4.286 6.562 0.286 1.00 0.00 C ATOM 651 OG SER A 43 5.368 5.642 0.221 1.00 0.00 O ATOM 0 H SER A 43 2.859 8.457 -0.651 1.00 0.00 H new ATOM 0 HA SER A 43 5.327 8.325 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.792 6.493 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.540 6.318 -0.470 1.00 0.00 H new ATOM 0 HG SER A 43 5.344 5.053 1.004 1.00 0.00 H new ATOM 657 N GLY A 44 5.361 8.331 -2.277 1.00 0.00 N ATOM 658 CA GLY A 44 6.281 8.321 -3.450 1.00 0.00 C ATOM 659 C GLY A 44 6.442 6.876 -3.921 1.00 0.00 C ATOM 660 O GLY A 44 7.153 6.586 -4.861 1.00 0.00 O ATOM 0 H GLY A 44 4.405 8.626 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.880 8.940 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.249 8.742 -3.177 1.00 0.00 H new ATOM 664 N ALA A 45 5.776 5.970 -3.258 1.00 0.00 N ATOM 665 CA ALA A 45 5.866 4.531 -3.632 1.00 0.00 C ATOM 666 C ALA A 45 4.857 4.217 -4.735 1.00 0.00 C ATOM 667 O ALA A 45 3.892 4.925 -4.940 1.00 0.00 O ATOM 668 CB ALA A 45 5.552 3.673 -2.406 1.00 0.00 C ATOM 0 H ALA A 45 5.167 6.169 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 45 6.872 4.314 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.616 2.618 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.270 3.891 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.545 3.897 -2.053 1.00 0.00 H new ATOM 674 N SER A 46 5.060 3.113 -5.405 1.00 0.00 N ATOM 675 CA SER A 46 4.106 2.669 -6.464 1.00 0.00 C ATOM 676 C SER A 46 3.357 1.463 -5.902 1.00 0.00 C ATOM 677 O SER A 46 3.938 0.650 -5.209 1.00 0.00 O ATOM 678 CB SER A 46 4.883 2.256 -7.716 1.00 0.00 C ATOM 679 OG SER A 46 3.970 1.797 -8.705 1.00 0.00 O ATOM 0 H SER A 46 5.857 2.492 -5.261 1.00 0.00 H new ATOM 0 HA SER A 46 3.417 3.469 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.456 3.101 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.598 1.470 -7.472 1.00 0.00 H new ATOM 0 HG SER A 46 4.464 1.533 -9.509 1.00 0.00 H new ATOM 685 N ILE A 47 2.079 1.331 -6.162 1.00 0.00 N ATOM 686 CA ILE A 47 1.307 0.174 -5.606 1.00 0.00 C ATOM 687 C ILE A 47 0.436 -0.449 -6.692 1.00 0.00 C ATOM 688 O ILE A 47 -0.198 0.240 -7.465 1.00 0.00 O ATOM 689 CB ILE A 47 0.408 0.669 -4.468 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.280 1.222 -3.338 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.441 -0.494 -3.935 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.398 1.913 -2.299 1.00 0.00 C ATOM 0 H ILE A 47 1.536 1.975 -6.736 1.00 0.00 H new ATOM 0 HA ILE A 47 2.007 -0.575 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.250 1.453 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.843 0.414 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.008 1.928 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.079 -0.138 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.062 -0.890 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.214 -1.281 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.021 2.306 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.145 2.732 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.312 1.195 -1.889 1.00 0.00 H new ATOM 704 N LYS A 48 0.397 -1.754 -6.749 1.00 0.00 N ATOM 705 CA LYS A 48 -0.428 -2.467 -7.766 1.00 0.00 C ATOM 706 C LYS A 48 -1.393 -3.386 -7.026 1.00 0.00 C ATOM 707 O LYS A 48 -0.988 -4.171 -6.191 1.00 0.00 O ATOM 708 CB LYS A 48 0.496 -3.307 -8.652 1.00 0.00 C ATOM 709 CG LYS A 48 -0.313 -3.959 -9.774 1.00 0.00 C ATOM 710 CD LYS A 48 0.606 -4.861 -10.611 1.00 0.00 C ATOM 711 CE LYS A 48 1.064 -6.082 -9.792 1.00 0.00 C ATOM 712 NZ LYS A 48 2.330 -5.753 -9.076 1.00 0.00 N ATOM 0 H LYS A 48 0.914 -2.368 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.979 -1.759 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.280 -2.678 -9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.990 -4.074 -8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.131 -4.545 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.762 -3.193 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.080 -5.194 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.475 -4.294 -10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.292 -6.364 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.217 -6.938 -10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.077 -6.415 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.618 -4.781 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.179 -5.832 -8.050 1.00 0.00 H new ATOM 726 N ILE A 49 -2.666 -3.300 -7.308 1.00 0.00 N ATOM 727 CA ILE A 49 -3.662 -4.165 -6.610 1.00 0.00 C ATOM 728 C ILE A 49 -4.018 -5.336 -7.527 1.00 0.00 C ATOM 729 O ILE A 49 -4.268 -5.157 -8.703 1.00 0.00 O ATOM 730 CB ILE A 49 -4.911 -3.329 -6.313 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.502 -2.085 -5.516 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.904 -4.155 -5.492 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.699 -1.148 -5.361 1.00 0.00 C ATOM 0 H ILE A 49 -3.062 -2.662 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.255 -4.550 -5.675 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.382 -3.031 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.129 -2.378 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.688 -1.568 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.790 -3.556 -5.283 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.191 -5.044 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.439 -4.454 -4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.400 -0.267 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.052 -0.843 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.500 -1.665 -4.833 1.00 0.00 H new ATOM 745 N ASP A 50 -4.052 -6.532 -7.004 1.00 0.00 N ATOM 746 CA ASP A 50 -4.400 -7.715 -7.847 1.00 0.00 C ATOM 747 C ASP A 50 -5.893 -7.993 -7.701 1.00 0.00 C ATOM 748 O ASP A 50 -6.475 -7.746 -6.662 1.00 0.00 O ATOM 749 CB ASP A 50 -3.608 -8.931 -7.363 1.00 0.00 C ATOM 750 CG ASP A 50 -2.113 -8.687 -7.581 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.669 -7.580 -7.319 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.438 -9.609 -8.008 1.00 0.00 O ATOM 0 H ASP A 50 -3.853 -6.743 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.156 -7.517 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.808 -9.111 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.924 -9.823 -7.904 1.00 0.00 H new ATOM 757 N GLU A 51 -6.526 -8.518 -8.713 1.00 0.00 N ATOM 758 CA GLU A 51 -7.976 -8.820 -8.595 1.00 0.00 C ATOM 759 C GLU A 51 -8.161 -9.930 -7.549 1.00 0.00 C ATOM 760 O GLU A 51 -7.299 -10.772 -7.398 1.00 0.00 O ATOM 761 CB GLU A 51 -8.494 -9.310 -9.950 1.00 0.00 C ATOM 762 CG GLU A 51 -8.522 -8.144 -10.939 1.00 0.00 C ATOM 763 CD GLU A 51 -9.079 -8.623 -12.281 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.734 -9.721 -12.685 1.00 0.00 O ATOM 765 OE2 GLU A 51 -9.842 -7.884 -12.881 1.00 0.00 O ATOM 0 H GLU A 51 -6.103 -8.749 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.526 -7.928 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.854 -10.107 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.494 -9.730 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.138 -7.335 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.517 -7.743 -11.073 1.00 0.00 H new ATOM 772 N PRO A 52 -9.264 -9.960 -6.833 1.00 0.00 N ATOM 773 CA PRO A 52 -9.472 -11.032 -5.819 1.00 0.00 C ATOM 774 C PRO A 52 -9.516 -12.422 -6.472 1.00 0.00 C ATOM 775 O PRO A 52 -10.029 -12.588 -7.560 1.00 0.00 O ATOM 776 CB PRO A 52 -10.832 -10.647 -5.202 1.00 0.00 C ATOM 777 CG PRO A 52 -11.468 -9.561 -6.089 1.00 0.00 C ATOM 778 CD PRO A 52 -10.361 -8.960 -6.970 1.00 0.00 C ATOM 0 HA PRO A 52 -8.669 -11.099 -5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.483 -11.519 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.698 -10.278 -4.185 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.258 -9.988 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.928 -8.787 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.682 -8.848 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.056 -7.973 -6.623 1.00 0.00 H new ATOM 853 N ASP A 58 -10.539 -12.429 0.148 1.00 0.00 N ATOM 854 CA ASP A 58 -9.459 -11.468 0.522 1.00 0.00 C ATOM 855 C ASP A 58 -8.894 -10.779 -0.724 1.00 0.00 C ATOM 856 O ASP A 58 -8.957 -11.286 -1.826 1.00 0.00 O ATOM 857 CB ASP A 58 -8.339 -12.237 1.224 1.00 0.00 C ATOM 858 CG ASP A 58 -8.921 -13.028 2.397 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.122 -12.435 3.444 1.00 0.00 O ATOM 860 OD2 ASP A 58 -9.153 -14.214 2.230 1.00 0.00 O ATOM 0 HA ASP A 58 -9.872 -10.706 1.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.852 -12.913 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.576 -11.545 1.581 1.00 0.00 H new ATOM 865 N ARG A 59 -8.313 -9.624 -0.524 1.00 0.00 N ATOM 866 CA ARG A 59 -7.687 -8.849 -1.639 1.00 0.00 C ATOM 867 C ARG A 59 -6.191 -8.724 -1.346 1.00 0.00 C ATOM 868 O ARG A 59 -5.790 -8.555 -0.213 1.00 0.00 O ATOM 869 CB ARG A 59 -8.307 -7.444 -1.711 1.00 0.00 C ATOM 870 CG ARG A 59 -9.728 -7.513 -2.327 1.00 0.00 C ATOM 871 CD ARG A 59 -10.091 -6.192 -3.027 1.00 0.00 C ATOM 872 NE ARG A 59 -11.549 -6.187 -3.336 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.143 -5.071 -3.661 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.460 -3.960 -3.716 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.419 -5.068 -3.935 1.00 0.00 N ATOM 0 H ARG A 59 -8.245 -9.174 0.389 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.853 -9.358 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.357 -7.010 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.674 -6.790 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.778 -8.334 -3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.457 -7.727 -1.545 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.840 -5.346 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.512 -6.081 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.082 -7.055 -3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.462 -3.964 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.924 -3.088 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.951 -5.937 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.884 -4.196 -4.189 1.00 0.00 H new ATOM 889 N ILE A 60 -5.360 -8.844 -2.354 1.00 0.00 N ATOM 890 CA ILE A 60 -3.878 -8.766 -2.130 1.00 0.00 C ATOM 891 C ILE A 60 -3.299 -7.490 -2.756 1.00 0.00 C ATOM 892 O ILE A 60 -3.740 -7.037 -3.794 1.00 0.00 O ATOM 893 CB ILE A 60 -3.236 -10.007 -2.750 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.638 -11.224 -1.910 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.711 -9.865 -2.742 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.313 -12.501 -2.669 1.00 0.00 C ATOM 0 H ILE A 60 -5.642 -8.993 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.667 -8.730 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.573 -10.126 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.109 -11.211 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.703 -11.185 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.261 -10.753 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.424 -8.986 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.361 -9.755 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.600 -13.364 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.862 -12.515 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.243 -12.541 -2.873 1.00 0.00 H new ATOM 908 N ILE A 61 -2.317 -6.910 -2.113 1.00 0.00 N ATOM 909 CA ILE A 61 -1.691 -5.653 -2.640 1.00 0.00 C ATOM 910 C ILE A 61 -0.173 -5.814 -2.734 1.00 0.00 C ATOM 911 O ILE A 61 0.443 -6.450 -1.905 1.00 0.00 O ATOM 912 CB ILE A 61 -2.005 -4.492 -1.691 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.505 -4.197 -1.739 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.224 -3.246 -2.127 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.876 -3.207 -0.633 1.00 0.00 C ATOM 0 H ILE A 61 -1.918 -7.254 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.095 -5.451 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.715 -4.761 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.773 -3.786 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.070 -5.121 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.448 -2.421 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.155 -3.458 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.513 -2.972 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.946 -3.001 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.625 -3.635 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.322 -2.279 -0.775 1.00 0.00 H new ATOM 927 N THR A 62 0.428 -5.236 -3.746 1.00 0.00 N ATOM 928 CA THR A 62 1.914 -5.338 -3.922 1.00 0.00 C ATOM 929 C THR A 62 2.532 -3.940 -3.847 1.00 0.00 C ATOM 930 O THR A 62 2.199 -3.065 -4.623 1.00 0.00 O ATOM 931 CB THR A 62 2.217 -5.954 -5.294 1.00 0.00 C ATOM 932 OG1 THR A 62 1.614 -7.238 -5.377 1.00 0.00 O ATOM 933 CG2 THR A 62 3.729 -6.087 -5.473 1.00 0.00 C ATOM 0 H THR A 62 -0.051 -4.693 -4.465 1.00 0.00 H new ATOM 0 HA THR A 62 2.335 -5.965 -3.136 1.00 0.00 H new ATOM 0 HB THR A 62 1.816 -5.311 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.805 -7.633 -6.253 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.943 -6.525 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.191 -5.102 -5.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.133 -6.729 -4.690 1.00 0.00 H new ATOM 941 N ILE A 63 3.429 -3.715 -2.914 1.00 0.00 N ATOM 942 CA ILE A 63 4.073 -2.372 -2.774 1.00 0.00 C ATOM 943 C ILE A 63 5.469 -2.411 -3.404 1.00 0.00 C ATOM 944 O ILE A 63 6.227 -3.327 -3.146 1.00 0.00 O ATOM 945 CB ILE A 63 4.215 -2.036 -1.287 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.893 -2.344 -0.571 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.556 -0.547 -1.132 1.00 0.00 C ATOM 948 CD1 ILE A 63 2.946 -1.825 0.867 1.00 0.00 C ATOM 0 H ILE A 63 3.744 -4.412 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 63 3.461 -1.620 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 63 5.013 -2.635 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.064 -1.879 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.710 -3.419 -0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.658 -0.305 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.494 -0.333 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.759 0.056 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.004 -2.047 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.764 -2.310 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.107 -0.747 0.859 1.00 0.00 H new ATOM 960 N THR A 64 5.829 -1.442 -4.209 1.00 0.00 N ATOM 961 CA THR A 64 7.201 -1.448 -4.827 1.00 0.00 C ATOM 962 C THR A 64 7.862 -0.091 -4.595 1.00 0.00 C ATOM 963 O THR A 64 7.272 0.943 -4.837 1.00 0.00 O ATOM 964 CB THR A 64 7.090 -1.714 -6.331 1.00 0.00 C ATOM 965 OG1 THR A 64 6.259 -2.844 -6.549 1.00 0.00 O ATOM 966 CG2 THR A 64 8.481 -1.979 -6.906 1.00 0.00 C ATOM 0 H THR A 64 5.240 -0.650 -4.467 1.00 0.00 H new ATOM 0 HA THR A 64 7.803 -2.233 -4.369 1.00 0.00 H new ATOM 0 HB THR A 64 6.656 -0.845 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.185 -3.015 -7.511 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.402 -2.168 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.116 -1.109 -6.737 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.918 -2.848 -6.415 1.00 0.00 H new ATOM 974 N GLY A 65 9.079 -0.077 -4.114 1.00 0.00 N ATOM 975 CA GLY A 65 9.780 1.209 -3.850 1.00 0.00 C ATOM 976 C GLY A 65 10.965 0.947 -2.911 1.00 0.00 C ATOM 977 O GLY A 65 11.284 -0.186 -2.606 1.00 0.00 O ATOM 0 H GLY A 65 9.620 -0.913 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.130 1.646 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.094 1.926 -3.400 1.00 0.00 H new ATOM 981 N THR A 66 11.615 1.977 -2.446 1.00 0.00 N ATOM 982 CA THR A 66 12.773 1.771 -1.524 1.00 0.00 C ATOM 983 C THR A 66 12.259 1.349 -0.142 1.00 0.00 C ATOM 984 O THR A 66 11.106 1.540 0.194 1.00 0.00 O ATOM 985 CB THR A 66 13.579 3.066 -1.406 1.00 0.00 C ATOM 986 OG1 THR A 66 12.691 4.160 -1.229 1.00 0.00 O ATOM 987 CG2 THR A 66 14.402 3.274 -2.679 1.00 0.00 C ATOM 0 H THR A 66 11.398 2.950 -2.662 1.00 0.00 H new ATOM 0 HA THR A 66 13.417 0.988 -1.923 1.00 0.00 H new ATOM 0 HB THR A 66 14.250 3.001 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.206 4.990 -1.152 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.976 4.197 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.083 2.434 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.734 3.340 -3.538 1.00 0.00 H new ATOM 995 N GLN A 67 13.116 0.763 0.656 1.00 0.00 N ATOM 996 CA GLN A 67 12.706 0.305 2.017 1.00 0.00 C ATOM 997 C GLN A 67 11.921 1.409 2.728 1.00 0.00 C ATOM 998 O GLN A 67 10.883 1.169 3.313 1.00 0.00 O ATOM 999 CB GLN A 67 13.965 -0.037 2.836 1.00 0.00 C ATOM 1000 CG GLN A 67 13.618 -1.039 3.943 1.00 0.00 C ATOM 1001 CD GLN A 67 12.506 -0.466 4.826 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.290 -0.924 4.703 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.748 0.404 5.640 1.00 0.00 N flip ATOM 0 H GLN A 67 14.091 0.581 0.419 1.00 0.00 H new ATOM 0 HA GLN A 67 12.073 -0.577 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.730 -0.456 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.381 0.870 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.297 -1.984 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.501 -1.251 4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.698 0.762 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.001 0.776 6.227 1.00 0.00 H new ATOM 1012 N ASP A 68 12.416 2.614 2.695 1.00 0.00 N ATOM 1013 CA ASP A 68 11.708 3.727 3.381 1.00 0.00 C ATOM 1014 C ASP A 68 10.387 4.024 2.672 1.00 0.00 C ATOM 1015 O ASP A 68 9.363 4.188 3.306 1.00 0.00 O ATOM 1016 CB ASP A 68 12.588 4.979 3.372 1.00 0.00 C ATOM 1017 CG ASP A 68 13.920 4.671 4.058 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.446 3.594 3.831 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.393 5.518 4.798 1.00 0.00 O ATOM 0 H ASP A 68 13.281 2.875 2.222 1.00 0.00 H new ATOM 0 HA ASP A 68 11.501 3.435 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.762 5.307 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.082 5.796 3.887 1.00 0.00 H new ATOM 1024 N GLN A 69 10.387 4.108 1.370 1.00 0.00 N ATOM 1025 CA GLN A 69 9.115 4.411 0.660 1.00 0.00 C ATOM 1026 C GLN A 69 8.088 3.319 0.975 1.00 0.00 C ATOM 1027 O GLN A 69 6.916 3.583 1.159 1.00 0.00 O ATOM 1028 CB GLN A 69 9.365 4.460 -0.850 1.00 0.00 C ATOM 1029 CG GLN A 69 10.188 5.703 -1.194 1.00 0.00 C ATOM 1030 CD GLN A 69 10.628 5.634 -2.658 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.003 4.970 -3.460 1.00 0.00 O ATOM 1032 NE2 GLN A 69 11.684 6.298 -3.041 1.00 0.00 N ATOM 0 H GLN A 69 11.204 3.981 0.773 1.00 0.00 H new ATOM 0 HA GLN A 69 8.735 5.377 0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.893 3.562 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.416 4.480 -1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.597 6.603 -1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.060 5.766 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.208 6.855 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.985 6.260 -4.015 1.00 0.00 H new ATOM 1041 N ILE A 70 8.531 2.090 1.042 1.00 0.00 N ATOM 1042 CA ILE A 70 7.606 0.962 1.348 1.00 0.00 C ATOM 1043 C ILE A 70 7.141 1.040 2.806 1.00 0.00 C ATOM 1044 O ILE A 70 5.970 0.893 3.094 1.00 0.00 O ATOM 1045 CB ILE A 70 8.334 -0.370 1.127 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.628 -0.550 -0.365 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.458 -1.532 1.616 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.564 -1.746 -0.564 1.00 0.00 C ATOM 0 H ILE A 70 9.503 1.819 0.896 1.00 0.00 H new ATOM 0 HA ILE A 70 6.740 1.028 0.689 1.00 0.00 H new ATOM 0 HB ILE A 70 9.269 -0.363 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.699 -0.708 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.086 0.354 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.981 -2.475 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.250 -1.409 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.520 -1.539 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.772 -1.872 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.498 -1.570 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.089 -2.648 -0.177 1.00 0.00 H new ATOM 1060 N GLN A 71 8.034 1.273 3.732 1.00 0.00 N ATOM 1061 CA GLN A 71 7.630 1.364 5.163 1.00 0.00 C ATOM 1062 C GLN A 71 6.635 2.511 5.337 1.00 0.00 C ATOM 1063 O GLN A 71 5.640 2.382 6.022 1.00 0.00 O ATOM 1064 CB GLN A 71 8.869 1.637 6.018 1.00 0.00 C ATOM 1065 CG GLN A 71 8.486 1.610 7.499 1.00 0.00 C ATOM 1066 CD GLN A 71 9.739 1.809 8.354 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.751 2.470 7.862 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.797 1.357 9.480 1.00 0.00 N flip ATOM 0 H GLN A 71 9.030 1.405 3.556 1.00 0.00 H new ATOM 0 HA GLN A 71 7.166 0.428 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.635 0.888 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.295 2.606 5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.759 2.394 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.012 0.660 7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.005 0.841 9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.637 1.494 10.042 1.00 0.00 H new ATOM 1077 N ASN A 72 6.893 3.632 4.720 1.00 0.00 N ATOM 1078 CA ASN A 72 5.958 4.781 4.849 1.00 0.00 C ATOM 1079 C ASN A 72 4.601 4.368 4.288 1.00 0.00 C ATOM 1080 O ASN A 72 3.563 4.690 4.830 1.00 0.00 O ATOM 1081 CB ASN A 72 6.503 5.975 4.063 1.00 0.00 C ATOM 1082 CG ASN A 72 7.855 6.395 4.642 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.432 5.688 5.443 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.390 7.524 4.265 1.00 0.00 N ATOM 0 H ASN A 72 7.710 3.800 4.133 1.00 0.00 H new ATOM 0 HA ASN A 72 5.855 5.065 5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.612 5.712 3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.801 6.807 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.292 7.812 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.906 8.118 3.592 1.00 0.00 H new ATOM 1091 N ALA A 73 4.607 3.647 3.201 1.00 0.00 N ATOM 1092 CA ALA A 73 3.328 3.198 2.593 1.00 0.00 C ATOM 1093 C ALA A 73 2.685 2.137 3.487 1.00 0.00 C ATOM 1094 O ALA A 73 1.504 2.175 3.769 1.00 0.00 O ATOM 1095 CB ALA A 73 3.611 2.597 1.215 1.00 0.00 C ATOM 0 H ALA A 73 5.448 3.349 2.707 1.00 0.00 H new ATOM 0 HA ALA A 73 2.651 4.047 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.676 2.266 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.075 3.350 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.285 1.746 1.320 1.00 0.00 H new ATOM 1101 N GLN A 74 3.462 1.184 3.926 1.00 0.00 N ATOM 1102 CA GLN A 74 2.926 0.099 4.793 1.00 0.00 C ATOM 1103 C GLN A 74 2.285 0.703 6.053 1.00 0.00 C ATOM 1104 O GLN A 74 1.157 0.402 6.391 1.00 0.00 O ATOM 1105 CB GLN A 74 4.093 -0.840 5.181 1.00 0.00 C ATOM 1106 CG GLN A 74 3.653 -2.306 5.105 1.00 0.00 C ATOM 1107 CD GLN A 74 4.801 -3.209 5.556 1.00 0.00 C ATOM 1108 OE1 GLN A 74 4.805 -3.698 6.668 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.785 -3.453 4.733 1.00 0.00 N ATOM 0 H GLN A 74 4.458 1.112 3.717 1.00 0.00 H new ATOM 0 HA GLN A 74 2.162 -0.465 4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.938 -0.673 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.433 -0.609 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.780 -2.468 5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.359 -2.556 4.086 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.782 -3.043 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.556 -4.054 5.024 1.00 0.00 H new ATOM 1118 N TYR A 75 3.003 1.535 6.759 1.00 0.00 N ATOM 1119 CA TYR A 75 2.434 2.134 8.001 1.00 0.00 C ATOM 1120 C TYR A 75 1.135 2.879 7.677 1.00 0.00 C ATOM 1121 O TYR A 75 0.176 2.808 8.419 1.00 0.00 O ATOM 1122 CB TYR A 75 3.446 3.096 8.627 1.00 0.00 C ATOM 1123 CG TYR A 75 2.935 3.567 9.968 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.151 2.789 11.112 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.247 4.782 10.069 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.678 3.226 12.356 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.774 5.219 11.313 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.990 4.441 12.457 1.00 0.00 C ATOM 1129 OH TYR A 75 1.525 4.871 13.682 1.00 0.00 O ATOM 0 H TYR A 75 3.954 1.825 6.531 1.00 0.00 H new ATOM 0 HA TYR A 75 2.216 1.336 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.409 2.599 8.747 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.608 3.949 7.968 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.682 1.852 11.035 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.081 5.383 9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.844 2.625 13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.243 6.156 11.390 1.00 0.00 H new ATOM 0 HH TYR A 75 1.071 5.733 13.575 1.00 0.00 H new ATOM 1139 N LEU A 76 1.083 3.587 6.581 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.174 4.315 6.245 1.00 0.00 C ATOM 1141 C LEU A 76 -1.267 3.295 5.915 1.00 0.00 C ATOM 1142 O LEU A 76 -2.439 3.549 6.109 1.00 0.00 O ATOM 1143 CB LEU A 76 0.049 5.240 5.040 1.00 0.00 C ATOM 1144 CG LEU A 76 1.015 6.384 5.408 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.660 6.943 4.136 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.252 7.515 6.109 1.00 0.00 C ATOM 0 H LEU A 76 1.846 3.692 5.912 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.476 4.923 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.455 4.668 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.904 5.653 4.710 1.00 0.00 H new ATOM 0 HG LEU A 76 1.782 5.991 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.342 7.751 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.213 6.151 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.884 7.325 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.944 8.317 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.520 7.900 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.211 7.132 7.019 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.900 2.137 5.435 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.936 1.113 5.121 1.00 0.00 C ATOM 1160 C LEU A 77 -2.440 0.515 6.437 1.00 0.00 C ATOM 1161 O LEU A 77 -3.625 0.368 6.657 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.332 0.003 4.241 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.324 0.432 2.758 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.289 -0.393 1.986 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.704 0.201 2.121 1.00 0.00 C ATOM 0 H LEU A 77 0.063 1.858 5.248 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.761 1.575 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.315 -0.215 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.908 -0.915 4.357 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.075 1.492 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.287 -0.087 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.700 -0.229 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.543 -1.451 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.679 0.509 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.960 -0.857 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.453 0.786 2.654 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.532 0.178 7.315 1.00 0.00 N ATOM 1178 CA GLN A 78 -1.927 -0.404 8.627 1.00 0.00 C ATOM 1179 C GLN A 78 -2.783 0.606 9.397 1.00 0.00 C ATOM 1180 O GLN A 78 -3.744 0.250 10.048 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.666 -0.725 9.437 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.054 -1.474 10.712 1.00 0.00 C ATOM 1183 CD GLN A 78 0.208 -1.858 11.485 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.375 -1.710 10.919 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 0.133 -2.298 12.615 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.527 0.283 7.176 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.501 -1.316 8.464 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.017 -1.330 8.841 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.139 0.195 9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.696 -0.849 11.332 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.625 -2.368 10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.779 -2.414 13.058 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.982 -2.552 13.121 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.437 1.870 9.328 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.232 2.898 10.058 1.00 0.00 C ATOM 1196 C ASN A 79 -4.507 3.205 9.273 1.00 0.00 C ATOM 1197 O ASN A 79 -5.485 3.646 9.837 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.401 4.166 10.266 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.387 3.933 11.388 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -1.584 4.374 12.503 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -0.300 3.254 11.138 1.00 0.00 N ATOM 0 H ASN A 79 -1.642 2.229 8.799 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.506 2.513 11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.884 4.430 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.052 5.003 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.383 3.094 11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.134 2.884 10.202 1.00 0.00 H new ATOM 1208 N SER A 80 -4.529 2.976 7.993 1.00 0.00 N ATOM 1209 CA SER A 80 -5.784 3.264 7.244 1.00 0.00 C ATOM 1210 C SER A 80 -6.868 2.339 7.800 1.00 0.00 C ATOM 1211 O SER A 80 -8.029 2.688 7.871 1.00 0.00 O ATOM 1212 CB SER A 80 -5.577 3.004 5.753 1.00 0.00 C ATOM 1213 OG SER A 80 -5.401 1.611 5.539 1.00 0.00 O ATOM 0 H SER A 80 -3.753 2.610 7.441 1.00 0.00 H new ATOM 0 HA SER A 80 -6.074 4.308 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.436 3.365 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.705 3.552 5.394 1.00 0.00 H new ATOM 0 HG SER A 80 -4.813 1.245 6.233 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.484 1.152 8.179 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.458 0.159 8.722 1.00 0.00 C ATOM 1221 C VAL A 81 -8.380 0.821 9.755 1.00 0.00 C ATOM 1222 O VAL A 81 -9.588 0.728 9.668 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.698 -0.983 9.411 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.700 -2.030 9.906 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.717 -1.643 8.433 1.00 0.00 C ATOM 0 H VAL A 81 -5.520 0.821 8.135 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.054 -0.226 7.895 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.136 -0.576 10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.164 -2.843 10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.387 -1.569 10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.262 -2.424 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.187 -2.450 8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.267 -2.047 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.999 -0.902 8.082 1.00 0.00 H new