USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 31 SER OG : rot 180:sc= -0.0254 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 138:sc= -2.24 (180deg=-3.66!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 150:sc= -0.427 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.148 (180deg=-1.83!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 SER OG : rot 77:sc= 1.14 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.7) USER MOD Single : A 48 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0211) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.317 (180deg=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 63:sc= 0.701 USER MOD Single : A 66 TYR OH : rot -39:sc= -0.349 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.234 K(o=-0.23,f=-3.5!) USER MOD Single : A 72 SER OG : rot 114:sc=-0.00553 USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.213 (180deg=-1.01) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.816 -13.840 4.919 1.00 0.00 N ATOM 60 CA GLY A 7 5.660 -12.969 3.769 1.00 0.00 C ATOM 61 C GLY A 7 6.736 -11.904 3.697 1.00 0.00 C ATOM 62 O GLY A 7 7.926 -12.217 3.653 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.684 -13.567 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.682 -12.490 3.810 1.00 0.00 H new ATOM 66 N MET A 8 6.319 -10.643 3.684 1.00 0.00 N ATOM 67 CA MET A 8 7.257 -9.528 3.616 1.00 0.00 C ATOM 68 C MET A 8 6.723 -8.321 4.380 1.00 0.00 C ATOM 69 O MET A 8 5.533 -8.245 4.684 1.00 0.00 O ATOM 70 CB MET A 8 7.524 -9.147 2.159 1.00 0.00 C ATOM 71 CG MET A 8 6.269 -8.759 1.392 1.00 0.00 C ATOM 72 SD MET A 8 6.614 -8.297 -0.316 1.00 0.00 S ATOM 73 CE MET A 8 5.195 -7.268 -0.682 1.00 0.00 C ATOM 0 H MET A 8 5.338 -10.367 3.720 1.00 0.00 H new ATOM 0 HA MET A 8 8.192 -9.843 4.079 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.228 -8.315 2.133 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.003 -9.986 1.655 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.568 -9.594 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.781 -7.926 1.898 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.517 -6.391 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.477 -7.835 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.726 -6.950 0.249 1.00 0.00 H new ATOM 83 N GLN A 9 7.611 -7.381 4.688 1.00 0.00 N ATOM 84 CA GLN A 9 7.227 -6.178 5.418 1.00 0.00 C ATOM 85 C GLN A 9 7.137 -4.978 4.481 1.00 0.00 C ATOM 86 O GLN A 9 8.037 -4.737 3.675 1.00 0.00 O ATOM 87 CB GLN A 9 8.231 -5.893 6.536 1.00 0.00 C ATOM 88 CG GLN A 9 7.859 -4.698 7.398 1.00 0.00 C ATOM 89 CD GLN A 9 8.831 -4.476 8.540 1.00 0.00 C ATOM 90 OE1 GLN A 9 9.648 -5.343 8.852 1.00 0.00 O ATOM 91 NE2 GLN A 9 8.748 -3.310 9.170 1.00 0.00 N ATOM 0 H GLN A 9 8.600 -7.429 4.444 1.00 0.00 H new ATOM 0 HA GLN A 9 6.244 -6.348 5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.316 -6.775 7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.213 -5.721 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.825 -3.803 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.857 -4.844 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.056 -2.621 8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.377 -3.104 9.946 1.00 0.00 H new ATOM 100 N LEU A 10 6.046 -4.229 4.591 1.00 0.00 N ATOM 101 CA LEU A 10 5.838 -3.053 3.753 1.00 0.00 C ATOM 102 C LEU A 10 5.615 -1.809 4.607 1.00 0.00 C ATOM 103 O LEU A 10 4.929 -1.857 5.628 1.00 0.00 O ATOM 104 CB LEU A 10 4.641 -3.269 2.825 1.00 0.00 C ATOM 105 CG LEU A 10 4.825 -4.316 1.726 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.548 -4.467 0.913 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.992 -3.943 0.824 1.00 0.00 C ATOM 0 H LEU A 10 5.292 -4.415 5.252 1.00 0.00 H new ATOM 0 HA LEU A 10 6.734 -2.903 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.783 -3.556 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.395 -2.317 2.355 1.00 0.00 H new ATOM 0 HG LEU A 10 5.047 -5.274 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.698 -5.216 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.735 -4.781 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.295 -3.512 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.108 -4.699 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.799 -2.975 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.906 -3.887 1.416 1.00 0.00 H new ATOM 119 N THR A 11 6.199 -0.693 4.180 1.00 0.00 N ATOM 120 CA THR A 11 6.064 0.565 4.904 1.00 0.00 C ATOM 121 C THR A 11 5.384 1.624 4.044 1.00 0.00 C ATOM 122 O THR A 11 5.927 2.054 3.026 1.00 0.00 O ATOM 123 CB THR A 11 7.434 1.097 5.366 1.00 0.00 C ATOM 124 OG1 THR A 11 8.198 0.038 5.955 1.00 0.00 O ATOM 125 CG2 THR A 11 7.265 2.226 6.372 1.00 0.00 C ATOM 0 H THR A 11 6.770 -0.635 3.337 1.00 0.00 H new ATOM 0 HA THR A 11 5.448 0.361 5.780 1.00 0.00 H new ATOM 0 HB THR A 11 7.961 1.484 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.068 0.384 6.244 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.246 2.585 6.684 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.708 3.043 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.720 1.860 7.242 1.00 0.00 H new ATOM 133 N VAL A 12 4.193 2.043 4.461 1.00 0.00 N ATOM 134 CA VAL A 12 3.440 3.054 3.729 1.00 0.00 C ATOM 135 C VAL A 12 3.733 4.452 4.264 1.00 0.00 C ATOM 136 O VAL A 12 3.476 4.749 5.430 1.00 0.00 O ATOM 137 CB VAL A 12 1.924 2.793 3.810 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.148 3.966 3.232 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.568 1.501 3.091 1.00 0.00 C ATOM 0 H VAL A 12 3.729 1.698 5.301 1.00 0.00 H new ATOM 0 HA VAL A 12 3.757 2.992 2.688 1.00 0.00 H new ATOM 0 HB VAL A 12 1.646 2.687 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.079 3.763 3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.381 4.870 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.427 4.107 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.493 1.332 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.859 1.576 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.096 0.668 3.556 1.00 0.00 H new ATOM 149 N LYS A 13 4.272 5.307 3.402 1.00 0.00 N ATOM 150 CA LYS A 13 4.600 6.676 3.786 1.00 0.00 C ATOM 151 C LYS A 13 3.725 7.675 3.035 1.00 0.00 C ATOM 152 O LYS A 13 3.625 7.628 1.809 1.00 0.00 O ATOM 153 CB LYS A 13 6.077 6.965 3.509 1.00 0.00 C ATOM 154 CG LYS A 13 6.661 8.050 4.398 1.00 0.00 C ATOM 155 CD LYS A 13 6.489 9.428 3.782 1.00 0.00 C ATOM 156 CE LYS A 13 7.362 10.462 4.477 1.00 0.00 C ATOM 157 NZ LYS A 13 7.713 11.591 3.571 1.00 0.00 N ATOM 0 H LYS A 13 4.491 5.077 2.433 1.00 0.00 H new ATOM 0 HA LYS A 13 4.410 6.784 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.650 6.048 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.192 7.261 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.175 8.023 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.720 7.854 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.743 9.389 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.444 9.729 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.840 10.848 5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.275 9.985 4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.308 12.274 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.233 11.226 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.843 12.062 3.250 1.00 0.00 H new ATOM 171 N ALA A 14 3.096 8.579 3.778 1.00 0.00 N ATOM 172 CA ALA A 14 2.234 9.592 3.182 1.00 0.00 C ATOM 173 C ALA A 14 3.037 10.817 2.759 1.00 0.00 C ATOM 174 O ALA A 14 3.880 11.309 3.510 1.00 0.00 O ATOM 175 CB ALA A 14 1.135 9.989 4.156 1.00 0.00 C ATOM 0 H ALA A 14 3.167 8.631 4.794 1.00 0.00 H new ATOM 0 HA ALA A 14 1.777 9.165 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.499 10.746 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.535 9.113 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.582 10.392 5.064 1.00 0.00 H new ATOM 224 N ARG A 18 2.292 11.044 7.569 1.00 0.00 N ATOM 225 CA ARG A 18 2.590 9.956 8.492 1.00 0.00 C ATOM 226 C ARG A 18 2.878 8.663 7.734 1.00 0.00 C ATOM 227 O ARG A 18 2.825 8.629 6.505 1.00 0.00 O ATOM 228 CB ARG A 18 1.423 9.744 9.459 1.00 0.00 C ATOM 229 CG ARG A 18 1.260 10.866 10.471 1.00 0.00 C ATOM 230 CD ARG A 18 0.005 10.682 11.309 1.00 0.00 C ATOM 231 NE ARG A 18 -0.091 11.674 12.377 1.00 0.00 N ATOM 232 CZ ARG A 18 -1.147 11.797 13.173 1.00 0.00 C ATOM 233 NH1 ARG A 18 -2.192 10.994 13.023 1.00 0.00 N ATOM 234 NH2 ARG A 18 -1.159 12.723 14.123 1.00 0.00 N ATOM 0 HA ARG A 18 3.479 10.229 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.501 9.646 8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.569 8.804 9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.133 10.899 11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.215 11.823 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.873 10.754 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.002 9.682 11.742 1.00 0.00 H new ATOM 0 HE ARG A 18 0.696 12.307 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.186 10.280 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.002 11.091 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.357 13.341 14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.971 12.817 14.734 1.00 0.00 H new ATOM 248 N GLU A 19 3.183 7.603 8.476 1.00 0.00 N ATOM 249 CA GLU A 19 3.480 6.309 7.873 1.00 0.00 C ATOM 250 C GLU A 19 3.084 5.170 8.808 1.00 0.00 C ATOM 251 O GLU A 19 2.775 5.393 9.980 1.00 0.00 O ATOM 252 CB GLU A 19 4.968 6.211 7.532 1.00 0.00 C ATOM 253 CG GLU A 19 5.882 6.449 8.721 1.00 0.00 C ATOM 254 CD GLU A 19 7.351 6.413 8.345 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.835 5.332 7.949 1.00 0.00 O ATOM 256 OE2 GLU A 19 8.016 7.465 8.446 1.00 0.00 O ATOM 0 H GLU A 19 3.231 7.615 9.495 1.00 0.00 H new ATOM 0 HA GLU A 19 2.898 6.221 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.173 5.223 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.202 6.937 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.648 7.416 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.687 5.693 9.481 1.00 0.00 H new ATOM 263 N CYS A 20 3.096 3.950 8.283 1.00 0.00 N ATOM 264 CA CYS A 20 2.738 2.775 9.069 1.00 0.00 C ATOM 265 C CYS A 20 3.278 1.503 8.423 1.00 0.00 C ATOM 266 O CYS A 20 3.301 1.379 7.198 1.00 0.00 O ATOM 267 CB CYS A 20 1.219 2.680 9.219 1.00 0.00 C ATOM 268 SG CYS A 20 0.678 1.840 10.726 1.00 0.00 S ATOM 0 H CYS A 20 3.350 3.749 7.316 1.00 0.00 H new ATOM 0 HA CYS A 20 3.188 2.878 10.056 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.800 3.686 9.206 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.811 2.154 8.356 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.468 2.324 11.105 1.00 0.00 H new ATOM 274 N SER A 21 3.713 0.562 9.254 1.00 0.00 N ATOM 275 CA SER A 21 4.258 -0.699 8.764 1.00 0.00 C ATOM 276 C SER A 21 3.223 -1.815 8.866 1.00 0.00 C ATOM 277 O SER A 21 2.395 -1.828 9.778 1.00 0.00 O ATOM 278 CB SER A 21 5.513 -1.077 9.553 1.00 0.00 C ATOM 279 OG SER A 21 5.243 -1.136 10.943 1.00 0.00 O ATOM 0 H SER A 21 3.699 0.649 10.270 1.00 0.00 H new ATOM 0 HA SER A 21 4.523 -0.569 7.715 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.885 -2.043 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.300 -0.347 9.363 1.00 0.00 H new ATOM 0 HG SER A 21 6.060 -1.381 11.425 1.00 0.00 H new ATOM 285 N LEU A 22 3.275 -2.750 7.925 1.00 0.00 N ATOM 286 CA LEU A 22 2.343 -3.872 7.907 1.00 0.00 C ATOM 287 C LEU A 22 3.015 -5.131 7.369 1.00 0.00 C ATOM 288 O LEU A 22 3.917 -5.055 6.535 1.00 0.00 O ATOM 289 CB LEU A 22 1.119 -3.530 7.056 1.00 0.00 C ATOM 290 CG LEU A 22 -0.046 -2.867 7.792 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.833 -1.971 6.847 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.954 -3.919 8.411 1.00 0.00 C ATOM 0 H LEU A 22 3.953 -2.754 7.163 1.00 0.00 H new ATOM 0 HA LEU A 22 2.024 -4.063 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.436 -2.870 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.755 -4.447 6.593 1.00 0.00 H new ATOM 0 HG LEU A 22 0.360 -2.249 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.658 -1.508 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.178 -1.195 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.228 -2.567 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.777 -3.429 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.352 -4.563 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.384 -4.520 9.120 1.00 0.00 H new ATOM 304 N GLN A 23 2.568 -6.286 7.851 1.00 0.00 N ATOM 305 CA GLN A 23 3.126 -7.561 7.416 1.00 0.00 C ATOM 306 C GLN A 23 2.224 -8.226 6.382 1.00 0.00 C ATOM 307 O GLN A 23 1.092 -8.605 6.682 1.00 0.00 O ATOM 308 CB GLN A 23 3.320 -8.492 8.615 1.00 0.00 C ATOM 309 CG GLN A 23 2.020 -8.879 9.301 1.00 0.00 C ATOM 310 CD GLN A 23 2.242 -9.501 10.665 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.206 -10.722 10.818 1.00 0.00 O ATOM 312 NE2 GLN A 23 2.475 -8.661 11.667 1.00 0.00 N ATOM 0 H GLN A 23 1.822 -6.365 8.542 1.00 0.00 H new ATOM 0 HA GLN A 23 4.094 -7.367 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.829 -9.397 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.973 -8.006 9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.393 -7.994 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.476 -9.582 8.670 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.496 -7.656 11.495 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.633 -9.021 12.608 1.00 0.00 H new ATOM 321 N VAL A 24 2.733 -8.365 5.162 1.00 0.00 N ATOM 322 CA VAL A 24 1.974 -8.984 4.082 1.00 0.00 C ATOM 323 C VAL A 24 2.892 -9.740 3.128 1.00 0.00 C ATOM 324 O VAL A 24 4.073 -9.423 2.982 1.00 0.00 O ATOM 325 CB VAL A 24 1.174 -7.937 3.285 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.041 -7.374 4.130 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.091 -6.825 2.798 1.00 0.00 C ATOM 0 H VAL A 24 3.669 -8.057 4.897 1.00 0.00 H new ATOM 0 HA VAL A 24 1.279 -9.685 4.545 1.00 0.00 H new ATOM 0 HB VAL A 24 0.737 -8.424 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.513 -6.636 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.629 -8.182 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.452 -6.901 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.510 -6.094 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.558 -6.338 3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.863 -7.246 2.154 1.00 0.00 H new ATOM 337 N PRO A 25 2.339 -10.765 2.462 1.00 0.00 N ATOM 338 CA PRO A 25 3.090 -11.587 1.509 1.00 0.00 C ATOM 339 C PRO A 25 3.444 -10.824 0.238 1.00 0.00 C ATOM 340 O PRO A 25 2.949 -9.721 0.007 1.00 0.00 O ATOM 341 CB PRO A 25 2.126 -12.734 1.194 1.00 0.00 C ATOM 342 CG PRO A 25 0.771 -12.172 1.454 1.00 0.00 C ATOM 343 CD PRO A 25 0.937 -11.199 2.588 1.00 0.00 C ATOM 0 HA PRO A 25 4.046 -11.915 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.226 -13.063 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.323 -13.601 1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.378 -11.675 0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.065 -12.960 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.247 -10.360 2.502 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.747 -11.670 3.553 1.00 0.00 H new ATOM 351 N GLU A 26 4.303 -11.418 -0.585 1.00 0.00 N ATOM 352 CA GLU A 26 4.722 -10.792 -1.833 1.00 0.00 C ATOM 353 C GLU A 26 3.630 -10.907 -2.893 1.00 0.00 C ATOM 354 O GLU A 26 3.499 -10.043 -3.760 1.00 0.00 O ATOM 355 CB GLU A 26 6.013 -11.436 -2.344 1.00 0.00 C ATOM 356 CG GLU A 26 5.891 -12.930 -2.592 1.00 0.00 C ATOM 357 CD GLU A 26 7.162 -13.532 -3.160 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.258 -13.142 -2.705 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.061 -14.392 -4.059 1.00 0.00 O ATOM 0 H GLU A 26 4.722 -12.331 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 26 4.904 -9.735 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.312 -10.946 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.808 -11.260 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.643 -13.431 -1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.067 -13.114 -3.281 1.00 0.00 H new ATOM 366 N ASP A 27 2.850 -11.979 -2.816 1.00 0.00 N ATOM 367 CA ASP A 27 1.769 -12.208 -3.768 1.00 0.00 C ATOM 368 C ASP A 27 0.446 -11.678 -3.225 1.00 0.00 C ATOM 369 O ASP A 27 -0.622 -12.193 -3.554 1.00 0.00 O ATOM 370 CB ASP A 27 1.644 -13.699 -4.082 1.00 0.00 C ATOM 371 CG ASP A 27 2.812 -14.219 -4.897 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.029 -13.709 -6.016 1.00 0.00 O ATOM 373 OD2 ASP A 27 3.510 -15.137 -4.416 1.00 0.00 O ATOM 0 H ASP A 27 2.946 -12.703 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 27 2.007 -11.670 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.577 -14.259 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.717 -13.876 -4.627 1.00 0.00 H new ATOM 378 N GLU A 28 0.525 -10.645 -2.391 1.00 0.00 N ATOM 379 CA GLU A 28 -0.667 -10.047 -1.801 1.00 0.00 C ATOM 380 C GLU A 28 -1.405 -9.185 -2.821 1.00 0.00 C ATOM 381 O GLU A 28 -0.785 -8.495 -3.632 1.00 0.00 O ATOM 382 CB GLU A 28 -0.291 -9.204 -0.581 1.00 0.00 C ATOM 383 CG GLU A 28 -1.468 -8.886 0.326 1.00 0.00 C ATOM 384 CD GLU A 28 -2.084 -10.129 0.939 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.731 -10.898 0.199 1.00 0.00 O ATOM 386 OE2 GLU A 28 -1.918 -10.332 2.160 1.00 0.00 O ATOM 0 H GLU A 28 1.401 -10.206 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.329 -10.854 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.468 -9.733 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.158 -8.270 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.139 -8.218 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.228 -8.352 -0.245 1.00 0.00 H new ATOM 393 N LEU A 29 -2.731 -9.229 -2.776 1.00 0.00 N ATOM 394 CA LEU A 29 -3.555 -8.453 -3.696 1.00 0.00 C ATOM 395 C LEU A 29 -3.520 -6.970 -3.340 1.00 0.00 C ATOM 396 O LEU A 29 -3.578 -6.601 -2.167 1.00 0.00 O ATOM 397 CB LEU A 29 -4.998 -8.960 -3.672 1.00 0.00 C ATOM 398 CG LEU A 29 -5.176 -10.479 -3.673 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.613 -10.849 -3.343 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.768 -11.063 -5.017 1.00 0.00 C ATOM 0 H LEU A 29 -3.260 -9.794 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.149 -8.577 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.489 -8.557 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.520 -8.553 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.529 -10.901 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.720 -11.934 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.870 -10.464 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.281 -10.415 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.901 -12.145 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.389 -10.634 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.721 -10.830 -5.213 1.00 0.00 H new ATOM 412 N VAL A 30 -3.426 -6.124 -4.360 1.00 0.00 N ATOM 413 CA VAL A 30 -3.386 -4.681 -4.156 1.00 0.00 C ATOM 414 C VAL A 30 -4.624 -4.197 -3.408 1.00 0.00 C ATOM 415 O VAL A 30 -4.580 -3.193 -2.698 1.00 0.00 O ATOM 416 CB VAL A 30 -3.282 -3.927 -5.495 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.267 -2.424 -5.261 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.043 -4.368 -6.259 1.00 0.00 C ATOM 0 H VAL A 30 -3.376 -6.413 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.499 -4.471 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.158 -4.168 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.193 -1.907 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.186 -2.125 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.411 -2.161 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.985 -3.825 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.154 -4.157 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.100 -5.438 -6.459 1.00 0.00 H new ATOM 428 N SER A 31 -5.727 -4.920 -3.571 1.00 0.00 N ATOM 429 CA SER A 31 -6.979 -4.564 -2.914 1.00 0.00 C ATOM 430 C SER A 31 -6.891 -4.805 -1.410 1.00 0.00 C ATOM 431 O SER A 31 -7.368 -3.999 -0.611 1.00 0.00 O ATOM 432 CB SER A 31 -8.138 -5.370 -3.505 1.00 0.00 C ATOM 433 OG SER A 31 -8.028 -6.742 -3.168 1.00 0.00 O ATOM 0 H SER A 31 -5.779 -5.756 -4.153 1.00 0.00 H new ATOM 0 HA SER A 31 -7.161 -3.503 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.085 -4.976 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.148 -5.258 -4.589 1.00 0.00 H new ATOM 0 HG SER A 31 -8.781 -7.235 -3.556 1.00 0.00 H new ATOM 439 N THR A 32 -6.278 -5.922 -1.031 1.00 0.00 N ATOM 440 CA THR A 32 -6.128 -6.272 0.375 1.00 0.00 C ATOM 441 C THR A 32 -4.983 -5.495 1.016 1.00 0.00 C ATOM 442 O THR A 32 -4.988 -5.243 2.222 1.00 0.00 O ATOM 443 CB THR A 32 -5.873 -7.780 0.555 1.00 0.00 C ATOM 444 OG1 THR A 32 -6.877 -8.532 -0.135 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.873 -8.158 2.029 1.00 0.00 C ATOM 0 H THR A 32 -5.877 -6.600 -1.679 1.00 0.00 H new ATOM 0 HA THR A 32 -7.064 -6.008 0.867 1.00 0.00 H new ATOM 0 HB THR A 32 -4.893 -8.012 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.707 -9.490 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.691 -9.228 2.130 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.088 -7.606 2.546 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.840 -7.911 2.468 1.00 0.00 H new ATOM 453 N LEU A 33 -4.003 -5.118 0.203 1.00 0.00 N ATOM 454 CA LEU A 33 -2.850 -4.368 0.691 1.00 0.00 C ATOM 455 C LEU A 33 -3.251 -2.951 1.089 1.00 0.00 C ATOM 456 O LEU A 33 -2.631 -2.340 1.959 1.00 0.00 O ATOM 457 CB LEU A 33 -1.758 -4.319 -0.380 1.00 0.00 C ATOM 458 CG LEU A 33 -1.041 -5.639 -0.668 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.526 -5.665 -2.098 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.100 -5.851 0.316 1.00 0.00 C ATOM 0 H LEU A 33 -3.983 -5.319 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.463 -4.878 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.203 -3.960 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.013 -3.582 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.755 -6.453 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.019 -6.612 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.363 -5.559 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.174 -4.843 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.599 -6.795 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.815 -5.033 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.295 -5.877 1.331 1.00 0.00 H new ATOM 472 N LYS A 34 -4.294 -2.435 0.448 1.00 0.00 N ATOM 473 CA LYS A 34 -4.782 -1.091 0.737 1.00 0.00 C ATOM 474 C LYS A 34 -5.697 -1.095 1.957 1.00 0.00 C ATOM 475 O LYS A 34 -5.488 -0.336 2.903 1.00 0.00 O ATOM 476 CB LYS A 34 -5.530 -0.527 -0.473 1.00 0.00 C ATOM 477 CG LYS A 34 -4.630 -0.230 -1.660 1.00 0.00 C ATOM 478 CD LYS A 34 -5.412 -0.214 -2.963 1.00 0.00 C ATOM 479 CE LYS A 34 -4.767 0.704 -3.990 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.764 1.246 -4.953 1.00 0.00 N ATOM 0 H LYS A 34 -4.818 -2.927 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.922 -0.457 0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.298 -1.238 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.043 0.389 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.142 0.734 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.842 -0.981 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.472 -1.225 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.434 0.114 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.270 1.529 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.997 0.156 -4.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.599 0.833 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.723 1.004 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.667 2.280 -5.008 1.00 0.00 H new ATOM 494 N GLN A 35 -6.710 -1.956 1.929 1.00 0.00 N ATOM 495 CA GLN A 35 -7.656 -2.058 3.034 1.00 0.00 C ATOM 496 C GLN A 35 -6.926 -2.114 4.371 1.00 0.00 C ATOM 497 O GLN A 35 -7.281 -1.406 5.315 1.00 0.00 O ATOM 498 CB GLN A 35 -8.535 -3.298 2.866 1.00 0.00 C ATOM 499 CG GLN A 35 -9.511 -3.200 1.705 1.00 0.00 C ATOM 500 CD GLN A 35 -10.440 -4.395 1.621 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.596 -5.144 2.585 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.064 -4.580 0.463 1.00 0.00 N ATOM 0 H GLN A 35 -6.896 -2.592 1.154 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.288 -1.170 3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.896 -4.169 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.094 -3.464 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.103 -2.291 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.953 -3.112 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.905 -3.934 -0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.702 -5.368 0.347 1.00 0.00 H new ATOM 511 N LEU A 36 -5.905 -2.960 4.447 1.00 0.00 N ATOM 512 CA LEU A 36 -5.124 -3.109 5.671 1.00 0.00 C ATOM 513 C LEU A 36 -4.718 -1.748 6.227 1.00 0.00 C ATOM 514 O LEU A 36 -4.926 -1.460 7.406 1.00 0.00 O ATOM 515 CB LEU A 36 -3.878 -3.956 5.404 1.00 0.00 C ATOM 516 CG LEU A 36 -4.127 -5.420 5.039 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.961 -5.976 4.237 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.360 -6.251 6.293 1.00 0.00 C ATOM 0 H LEU A 36 -5.598 -3.553 3.676 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.746 -3.612 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.314 -3.492 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.246 -3.926 6.291 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.024 -5.473 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.156 -7.019 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.842 -5.399 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.048 -5.910 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.535 -7.290 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.483 -6.192 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.229 -5.867 6.827 1.00 0.00 H new ATOM 530 N VAL A 37 -4.139 -0.913 5.370 1.00 0.00 N ATOM 531 CA VAL A 37 -3.706 0.419 5.775 1.00 0.00 C ATOM 532 C VAL A 37 -4.899 1.300 6.129 1.00 0.00 C ATOM 533 O VAL A 37 -4.875 2.024 7.124 1.00 0.00 O ATOM 534 CB VAL A 37 -2.888 1.105 4.665 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.488 2.510 5.087 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.662 0.274 4.317 1.00 0.00 C ATOM 0 H VAL A 37 -3.959 -1.135 4.391 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.076 0.293 6.656 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.511 1.183 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.911 2.979 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.383 3.100 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.883 2.460 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.095 0.773 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.035 0.163 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.976 -0.710 3.969 1.00 0.00 H new ATOM 546 N SER A 38 -5.942 1.232 5.308 1.00 0.00 N ATOM 547 CA SER A 38 -7.145 2.026 5.533 1.00 0.00 C ATOM 548 C SER A 38 -7.561 1.978 6.999 1.00 0.00 C ATOM 549 O SER A 38 -7.926 2.997 7.585 1.00 0.00 O ATOM 550 CB SER A 38 -8.287 1.521 4.649 1.00 0.00 C ATOM 551 OG SER A 38 -9.547 1.857 5.204 1.00 0.00 O ATOM 0 H SER A 38 -5.979 0.636 4.481 1.00 0.00 H new ATOM 0 HA SER A 38 -6.923 3.060 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.198 1.953 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.213 0.439 4.536 1.00 0.00 H new ATOM 0 HG SER A 38 -9.738 2.803 5.033 1.00 0.00 H new ATOM 557 N GLU A 39 -7.504 0.787 7.586 1.00 0.00 N ATOM 558 CA GLU A 39 -7.876 0.605 8.984 1.00 0.00 C ATOM 559 C GLU A 39 -6.799 1.164 9.910 1.00 0.00 C ATOM 560 O GLU A 39 -7.102 1.800 10.920 1.00 0.00 O ATOM 561 CB GLU A 39 -8.104 -0.877 9.286 1.00 0.00 C ATOM 562 CG GLU A 39 -9.328 -1.457 8.596 1.00 0.00 C ATOM 563 CD GLU A 39 -10.610 -1.188 9.360 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.671 -0.168 10.078 1.00 0.00 O ATOM 565 OE2 GLU A 39 -11.553 -1.997 9.238 1.00 0.00 O ATOM 0 H GLU A 39 -7.204 -0.066 7.115 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.803 1.151 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.223 -1.441 8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.208 -1.008 10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.411 -1.034 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.198 -2.533 8.478 1.00 0.00 H new ATOM 572 N LYS A 40 -5.541 0.921 9.560 1.00 0.00 N ATOM 573 CA LYS A 40 -4.418 1.399 10.357 1.00 0.00 C ATOM 574 C LYS A 40 -4.547 2.893 10.638 1.00 0.00 C ATOM 575 O LYS A 40 -4.549 3.320 11.793 1.00 0.00 O ATOM 576 CB LYS A 40 -3.097 1.117 9.637 1.00 0.00 C ATOM 577 CG LYS A 40 -2.626 -0.321 9.772 1.00 0.00 C ATOM 578 CD LYS A 40 -2.096 -0.605 11.168 1.00 0.00 C ATOM 579 CE LYS A 40 -2.118 -2.093 11.480 1.00 0.00 C ATOM 580 NZ LYS A 40 -1.091 -2.462 12.493 1.00 0.00 N ATOM 0 H LYS A 40 -5.273 0.395 8.728 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.427 0.866 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.211 1.355 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.328 1.781 10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.451 -0.998 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.845 -0.520 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.077 -0.229 11.255 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.697 -0.069 11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.106 -2.373 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.945 -2.659 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.138 -3.484 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.146 -2.218 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.271 -1.941 13.375 1.00 0.00 H new ATOM 594 N LEU A 41 -4.655 3.683 9.575 1.00 0.00 N ATOM 595 CA LEU A 41 -4.786 5.130 9.707 1.00 0.00 C ATOM 596 C LEU A 41 -6.249 5.553 9.633 1.00 0.00 C ATOM 597 O LEU A 41 -6.557 6.714 9.368 1.00 0.00 O ATOM 598 CB LEU A 41 -3.983 5.836 8.612 1.00 0.00 C ATOM 599 CG LEU A 41 -2.475 5.583 8.617 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.854 6.041 7.306 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.820 6.288 9.795 1.00 0.00 C ATOM 0 H LEU A 41 -4.654 3.346 8.612 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.392 5.419 10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.379 5.530 7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.151 6.909 8.700 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.305 4.511 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.780 5.854 7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.303 5.490 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.033 7.108 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.747 6.097 9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.998 7.361 9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.245 5.912 10.726 1.00 0.00 H new ATOM 613 N ASN A 42 -7.147 4.603 9.873 1.00 0.00 N ATOM 614 CA ASN A 42 -8.579 4.877 9.835 1.00 0.00 C ATOM 615 C ASN A 42 -8.936 5.742 8.630 1.00 0.00 C ATOM 616 O ASN A 42 -9.807 6.608 8.709 1.00 0.00 O ATOM 617 CB ASN A 42 -9.020 5.574 11.124 1.00 0.00 C ATOM 618 CG ASN A 42 -8.904 4.672 12.338 1.00 0.00 C ATOM 619 OD1 ASN A 42 -7.920 4.728 13.075 1.00 0.00 O ATOM 620 ND2 ASN A 42 -9.911 3.833 12.550 1.00 0.00 N ATOM 0 H ASN A 42 -6.908 3.637 10.096 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.103 3.925 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.412 6.466 11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.053 5.906 11.019 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.888 3.201 13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.707 3.821 11.913 1.00 0.00 H new ATOM 627 N VAL A 43 -8.257 5.499 7.513 1.00 0.00 N ATOM 628 CA VAL A 43 -8.503 6.254 6.290 1.00 0.00 C ATOM 629 C VAL A 43 -9.158 5.379 5.227 1.00 0.00 C ATOM 630 O VAL A 43 -8.786 4.223 5.023 1.00 0.00 O ATOM 631 CB VAL A 43 -7.198 6.842 5.721 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.482 7.670 4.477 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.487 7.677 6.776 1.00 0.00 C ATOM 0 H VAL A 43 -7.533 4.786 7.430 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.177 7.070 6.552 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.542 6.019 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.548 8.077 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.945 7.039 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.157 8.488 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.567 8.085 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.136 8.494 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.248 7.051 7.636 1.00 0.00 H new ATOM 643 N PRO A 44 -10.157 5.941 4.531 1.00 0.00 N ATOM 644 CA PRO A 44 -10.885 5.230 3.476 1.00 0.00 C ATOM 645 C PRO A 44 -10.027 4.992 2.239 1.00 0.00 C ATOM 646 O PRO A 44 -9.406 5.917 1.714 1.00 0.00 O ATOM 647 CB PRO A 44 -12.046 6.173 3.149 1.00 0.00 C ATOM 648 CG PRO A 44 -11.556 7.526 3.537 1.00 0.00 C ATOM 649 CD PRO A 44 -10.653 7.315 4.721 1.00 0.00 C ATOM 0 HA PRO A 44 -11.201 4.238 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.302 6.133 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.944 5.903 3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.018 7.997 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.387 8.184 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.837 8.038 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.193 7.421 5.662 1.00 0.00 H new ATOM 657 N VAL A 45 -9.995 3.746 1.776 1.00 0.00 N ATOM 658 CA VAL A 45 -9.214 3.387 0.599 1.00 0.00 C ATOM 659 C VAL A 45 -9.536 4.304 -0.576 1.00 0.00 C ATOM 660 O VAL A 45 -8.637 4.793 -1.260 1.00 0.00 O ATOM 661 CB VAL A 45 -9.467 1.927 0.181 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.620 1.563 -1.029 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.187 0.984 1.342 1.00 0.00 C ATOM 0 H VAL A 45 -10.502 2.968 2.199 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.164 3.503 0.869 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.516 1.823 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.812 0.527 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.875 2.218 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.565 1.682 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.371 -0.044 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.147 1.088 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.842 1.231 2.178 1.00 0.00 H new ATOM 673 N ARG A 46 -10.826 4.534 -0.803 1.00 0.00 N ATOM 674 CA ARG A 46 -11.268 5.392 -1.896 1.00 0.00 C ATOM 675 C ARG A 46 -10.429 6.664 -1.961 1.00 0.00 C ATOM 676 O ARG A 46 -10.268 7.258 -3.027 1.00 0.00 O ATOM 677 CB ARG A 46 -12.745 5.750 -1.725 1.00 0.00 C ATOM 678 CG ARG A 46 -13.028 6.600 -0.498 1.00 0.00 C ATOM 679 CD ARG A 46 -14.224 7.514 -0.716 1.00 0.00 C ATOM 680 NE ARG A 46 -15.477 6.880 -0.314 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.574 7.558 0.004 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.573 8.883 -0.033 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.676 6.910 0.360 1.00 0.00 N ATOM 0 H ARG A 46 -11.582 4.138 -0.245 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.140 4.845 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.086 6.283 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.328 4.831 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.215 5.953 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.150 7.199 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.085 8.434 -0.149 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.280 7.793 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.511 5.861 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.728 9.385 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.417 9.401 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.681 5.890 0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.518 7.431 0.604 1.00 0.00 H new ATOM 697 N GLN A 47 -9.898 7.077 -0.814 1.00 0.00 N ATOM 698 CA GLN A 47 -9.077 8.280 -0.742 1.00 0.00 C ATOM 699 C GLN A 47 -7.596 7.935 -0.856 1.00 0.00 C ATOM 700 O GLN A 47 -6.953 8.247 -1.858 1.00 0.00 O ATOM 701 CB GLN A 47 -9.340 9.024 0.568 1.00 0.00 C ATOM 702 CG GLN A 47 -10.677 9.747 0.599 1.00 0.00 C ATOM 703 CD GLN A 47 -10.872 10.560 1.864 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.734 10.252 2.687 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.069 11.606 2.025 1.00 0.00 N ATOM 0 H GLN A 47 -10.022 6.597 0.077 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.347 8.925 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.301 8.314 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.541 9.747 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.750 10.406 -0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.482 9.017 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.368 11.825 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.153 12.190 2.857 1.00 0.00 H new ATOM 714 N GLN A 48 -7.061 7.292 0.177 1.00 0.00 N ATOM 715 CA GLN A 48 -5.655 6.907 0.192 1.00 0.00 C ATOM 716 C GLN A 48 -5.315 6.041 -1.017 1.00 0.00 C ATOM 717 O GLN A 48 -5.996 5.055 -1.297 1.00 0.00 O ATOM 718 CB GLN A 48 -5.324 6.155 1.482 1.00 0.00 C ATOM 719 CG GLN A 48 -6.072 4.839 1.628 1.00 0.00 C ATOM 720 CD GLN A 48 -5.641 4.056 2.853 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.225 4.633 3.858 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.738 2.734 2.775 1.00 0.00 N ATOM 0 H GLN A 48 -7.580 7.027 1.014 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.055 7.816 0.146 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.252 5.960 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.557 6.793 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.142 5.038 1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.909 4.232 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.088 2.298 1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.462 2.155 3.568 1.00 0.00 H new ATOM 731 N ARG A 49 -4.258 6.417 -1.729 1.00 0.00 N ATOM 732 CA ARG A 49 -3.828 5.676 -2.909 1.00 0.00 C ATOM 733 C ARG A 49 -2.353 5.299 -2.807 1.00 0.00 C ATOM 734 O ARG A 49 -1.518 6.116 -2.417 1.00 0.00 O ATOM 735 CB ARG A 49 -4.068 6.504 -4.173 1.00 0.00 C ATOM 736 CG ARG A 49 -3.833 5.732 -5.460 1.00 0.00 C ATOM 737 CD ARG A 49 -4.169 6.571 -6.683 1.00 0.00 C ATOM 738 NE ARG A 49 -4.103 5.793 -7.917 1.00 0.00 N ATOM 739 CZ ARG A 49 -4.721 6.141 -9.040 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.448 7.249 -9.084 1.00 0.00 N ATOM 741 NH2 ARG A 49 -4.613 5.380 -10.121 1.00 0.00 N ATOM 0 H ARG A 49 -3.683 7.231 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.416 4.760 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.093 6.876 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.413 7.375 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.791 5.415 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.442 4.828 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.169 6.989 -6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.478 7.411 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.552 4.935 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.534 7.836 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.922 7.514 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.055 4.527 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.088 5.648 -10.983 1.00 0.00 H new ATOM 755 N LEU A 50 -2.040 4.057 -3.159 1.00 0.00 N ATOM 756 CA LEU A 50 -0.666 3.570 -3.107 1.00 0.00 C ATOM 757 C LEU A 50 0.055 3.833 -4.425 1.00 0.00 C ATOM 758 O LEU A 50 -0.542 3.748 -5.499 1.00 0.00 O ATOM 759 CB LEU A 50 -0.645 2.074 -2.790 1.00 0.00 C ATOM 760 CG LEU A 50 -1.400 1.644 -1.531 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.415 0.128 -1.410 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.776 2.274 -0.294 1.00 0.00 C ATOM 0 H LEU A 50 -2.719 3.369 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.145 4.109 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.063 1.537 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.394 1.758 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.430 1.992 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.956 -0.160 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.908 -0.302 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.392 -0.243 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.326 1.957 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.263 1.957 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.818 3.360 -0.378 1.00 0.00 H new ATOM 774 N LEU A 51 1.342 4.149 -4.337 1.00 0.00 N ATOM 775 CA LEU A 51 2.146 4.421 -5.523 1.00 0.00 C ATOM 776 C LEU A 51 3.548 3.837 -5.377 1.00 0.00 C ATOM 777 O LEU A 51 4.106 3.801 -4.280 1.00 0.00 O ATOM 778 CB LEU A 51 2.234 5.929 -5.769 1.00 0.00 C ATOM 779 CG LEU A 51 0.984 6.586 -6.355 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.080 8.101 -6.253 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.784 6.159 -7.802 1.00 0.00 C ATOM 0 H LEU A 51 1.851 4.223 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 51 1.661 3.947 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.468 6.418 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.070 6.119 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 51 0.120 6.257 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.182 8.552 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.174 8.390 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.954 8.448 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.110 6.637 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.650 6.458 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.669 5.076 -7.849 1.00 0.00 H new ATOM 793 N PHE A 52 4.112 3.381 -6.491 1.00 0.00 N ATOM 794 CA PHE A 52 5.449 2.799 -6.487 1.00 0.00 C ATOM 795 C PHE A 52 6.305 3.396 -7.600 1.00 0.00 C ATOM 796 O PHE A 52 6.018 3.218 -8.784 1.00 0.00 O ATOM 797 CB PHE A 52 5.367 1.280 -6.651 1.00 0.00 C ATOM 798 CG PHE A 52 6.631 0.566 -6.265 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.958 0.381 -4.931 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.493 0.080 -7.235 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.121 -0.274 -4.573 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.657 -0.576 -6.883 1.00 0.00 C ATOM 803 CZ PHE A 52 8.971 -0.755 -5.550 1.00 0.00 C ATOM 0 H PHE A 52 3.664 3.403 -7.407 1.00 0.00 H new ATOM 0 HA PHE A 52 5.916 3.030 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.545 0.901 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.130 1.047 -7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.296 0.753 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.252 0.216 -8.279 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.365 -0.410 -3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.321 -0.948 -7.649 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.879 -1.270 -5.272 1.00 0.00 H new ATOM 813 N LYS A 53 7.358 4.107 -7.212 1.00 0.00 N ATOM 814 CA LYS A 53 8.258 4.731 -8.174 1.00 0.00 C ATOM 815 C LYS A 53 7.472 5.454 -9.264 1.00 0.00 C ATOM 816 O LYS A 53 7.857 5.439 -10.433 1.00 0.00 O ATOM 817 CB LYS A 53 9.175 3.680 -8.803 1.00 0.00 C ATOM 818 CG LYS A 53 10.317 3.250 -7.899 1.00 0.00 C ATOM 819 CD LYS A 53 11.520 2.786 -8.703 1.00 0.00 C ATOM 820 CE LYS A 53 12.477 1.966 -7.851 1.00 0.00 C ATOM 821 NZ LYS A 53 13.030 2.760 -6.718 1.00 0.00 N ATOM 0 H LYS A 53 7.609 4.266 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 53 8.867 5.463 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.582 2.804 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.587 4.078 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.606 4.081 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.982 2.444 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.184 2.190 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.043 3.652 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.957 1.090 -7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.295 1.601 -8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.703 2.177 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.518 3.600 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.255 3.058 -6.092 1.00 0.00 H new ATOM 835 N GLY A 54 6.370 6.086 -8.873 1.00 0.00 N ATOM 836 CA GLY A 54 5.549 6.806 -9.829 1.00 0.00 C ATOM 837 C GLY A 54 4.687 5.882 -10.665 1.00 0.00 C ATOM 838 O GLY A 54 4.380 6.181 -11.819 1.00 0.00 O ATOM 0 H GLY A 54 6.031 6.112 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.910 7.511 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.191 7.392 -10.486 1.00 0.00 H new ATOM 842 N LYS A 55 4.295 4.754 -10.082 1.00 0.00 N ATOM 843 CA LYS A 55 3.462 3.781 -10.779 1.00 0.00 C ATOM 844 C LYS A 55 2.142 3.569 -10.046 1.00 0.00 C ATOM 845 O LYS A 55 2.125 3.251 -8.857 1.00 0.00 O ATOM 846 CB LYS A 55 4.202 2.448 -10.913 1.00 0.00 C ATOM 847 CG LYS A 55 3.813 1.658 -12.151 1.00 0.00 C ATOM 848 CD LYS A 55 4.890 0.657 -12.535 1.00 0.00 C ATOM 849 CE LYS A 55 5.901 1.267 -13.494 1.00 0.00 C ATOM 850 NZ LYS A 55 6.924 2.079 -12.778 1.00 0.00 N ATOM 0 H LYS A 55 4.541 4.491 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 55 3.246 4.172 -11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.275 2.638 -10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.005 1.842 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.875 1.133 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.639 2.343 -12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.402 0.309 -11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.429 -0.216 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.395 0.473 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.382 1.894 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.793 2.122 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.560 3.042 -12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.134 1.641 -11.858 1.00 0.00 H new ATOM 864 N ALA A 56 1.036 3.748 -10.762 1.00 0.00 N ATOM 865 CA ALA A 56 -0.288 3.573 -10.180 1.00 0.00 C ATOM 866 C ALA A 56 -0.669 2.097 -10.114 1.00 0.00 C ATOM 867 O ALA A 56 -0.870 1.451 -11.144 1.00 0.00 O ATOM 868 CB ALA A 56 -1.323 4.352 -10.978 1.00 0.00 C ATOM 0 H ALA A 56 1.032 4.014 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.264 3.961 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.307 4.212 -10.532 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.068 5.412 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.336 3.991 -12.007 1.00 0.00 H new ATOM 874 N LEU A 57 -0.766 1.569 -8.899 1.00 0.00 N ATOM 875 CA LEU A 57 -1.122 0.169 -8.700 1.00 0.00 C ATOM 876 C LEU A 57 -2.629 -0.032 -8.816 1.00 0.00 C ATOM 877 O LEU A 57 -3.411 0.868 -8.509 1.00 0.00 O ATOM 878 CB LEU A 57 -0.636 -0.311 -7.331 1.00 0.00 C ATOM 879 CG LEU A 57 0.776 0.117 -6.932 1.00 0.00 C ATOM 880 CD1 LEU A 57 1.191 -0.557 -5.633 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.766 -0.206 -8.042 1.00 0.00 C ATOM 0 H LEU A 57 -0.603 2.089 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.635 -0.418 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.331 0.051 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.683 -1.400 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 57 0.777 1.196 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.199 -0.240 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.499 -0.275 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.173 -1.639 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.766 0.106 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.762 -1.279 -8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.480 0.324 -8.950 1.00 0.00 H new ATOM 893 N ALA A 58 -3.031 -1.218 -9.260 1.00 0.00 N ATOM 894 CA ALA A 58 -4.444 -1.538 -9.413 1.00 0.00 C ATOM 895 C ALA A 58 -4.901 -2.529 -8.348 1.00 0.00 C ATOM 896 O ALA A 58 -4.399 -3.651 -8.273 1.00 0.00 O ATOM 897 CB ALA A 58 -4.712 -2.095 -10.804 1.00 0.00 C ATOM 0 H ALA A 58 -2.397 -1.974 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.015 -0.618 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.772 -2.330 -10.904 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.432 -1.354 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.124 -3.001 -10.953 1.00 0.00 H new ATOM 903 N ASP A 59 -5.855 -2.108 -7.525 1.00 0.00 N ATOM 904 CA ASP A 59 -6.380 -2.959 -6.464 1.00 0.00 C ATOM 905 C ASP A 59 -6.422 -4.418 -6.907 1.00 0.00 C ATOM 906 O ASP A 59 -6.027 -5.315 -6.163 1.00 0.00 O ATOM 907 CB ASP A 59 -7.780 -2.497 -6.056 1.00 0.00 C ATOM 908 CG ASP A 59 -7.822 -1.025 -5.695 1.00 0.00 C ATOM 909 OD1 ASP A 59 -7.788 -0.187 -6.620 1.00 0.00 O ATOM 910 OD2 ASP A 59 -7.888 -0.711 -4.488 1.00 0.00 O ATOM 0 H ASP A 59 -6.281 -1.182 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.714 -2.878 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.475 -2.687 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.120 -3.087 -5.205 1.00 0.00 H new ATOM 915 N GLY A 60 -6.904 -4.648 -8.125 1.00 0.00 N ATOM 916 CA GLY A 60 -6.989 -6.000 -8.646 1.00 0.00 C ATOM 917 C GLY A 60 -5.627 -6.642 -8.817 1.00 0.00 C ATOM 918 O GLY A 60 -5.414 -7.783 -8.405 1.00 0.00 O ATOM 0 H GLY A 60 -7.237 -3.922 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.592 -6.609 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.503 -5.984 -9.607 1.00 0.00 H new ATOM 922 N LYS A 61 -4.702 -5.910 -9.428 1.00 0.00 N ATOM 923 CA LYS A 61 -3.353 -6.414 -9.654 1.00 0.00 C ATOM 924 C LYS A 61 -2.674 -6.764 -8.333 1.00 0.00 C ATOM 925 O LYS A 61 -3.268 -6.625 -7.264 1.00 0.00 O ATOM 926 CB LYS A 61 -2.518 -5.377 -10.409 1.00 0.00 C ATOM 927 CG LYS A 61 -2.986 -5.141 -11.835 1.00 0.00 C ATOM 928 CD LYS A 61 -1.862 -4.612 -12.710 1.00 0.00 C ATOM 929 CE LYS A 61 -2.335 -4.365 -14.134 1.00 0.00 C ATOM 930 NZ LYS A 61 -3.049 -3.064 -14.264 1.00 0.00 N ATOM 0 H LYS A 61 -4.862 -4.965 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.427 -7.320 -10.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.548 -4.433 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.478 -5.703 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.366 -6.073 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.813 -4.431 -11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.476 -3.684 -12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.038 -5.326 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.479 -4.378 -14.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.996 -5.175 -14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.355 -2.933 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.881 -3.060 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.410 -2.289 -13.994 1.00 0.00 H new ATOM 944 N ARG A 62 -1.427 -7.216 -8.415 1.00 0.00 N ATOM 945 CA ARG A 62 -0.668 -7.585 -7.227 1.00 0.00 C ATOM 946 C ARG A 62 0.716 -6.945 -7.245 1.00 0.00 C ATOM 947 O ARG A 62 1.226 -6.572 -8.302 1.00 0.00 O ATOM 948 CB ARG A 62 -0.537 -9.107 -7.131 1.00 0.00 C ATOM 949 CG ARG A 62 -1.871 -9.828 -7.031 1.00 0.00 C ATOM 950 CD ARG A 62 -1.741 -11.294 -7.413 1.00 0.00 C ATOM 951 NE ARG A 62 -2.994 -11.838 -7.930 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.302 -13.130 -7.900 1.00 0.00 C ATOM 953 NH1 ARG A 62 -2.454 -14.006 -7.379 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.462 -13.548 -8.391 1.00 0.00 N ATOM 0 H ARG A 62 -0.921 -7.335 -9.293 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.208 -7.218 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.001 -9.473 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.068 -9.357 -6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.254 -9.748 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.598 -9.344 -7.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.960 -11.405 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.428 -11.869 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.669 -11.191 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.562 -13.689 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.694 -14.997 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.118 -12.877 -8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.698 -14.540 -8.368 1.00 0.00 H new ATOM 968 N LEU A 63 1.319 -6.818 -6.068 1.00 0.00 N ATOM 969 CA LEU A 63 2.645 -6.222 -5.948 1.00 0.00 C ATOM 970 C LEU A 63 3.679 -7.031 -6.726 1.00 0.00 C ATOM 971 O LEU A 63 4.536 -6.469 -7.408 1.00 0.00 O ATOM 972 CB LEU A 63 3.054 -6.132 -4.476 1.00 0.00 C ATOM 973 CG LEU A 63 2.269 -5.136 -3.622 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.647 -5.277 -2.155 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.512 -3.713 -4.102 1.00 0.00 C ATOM 0 H LEU A 63 0.911 -7.120 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 63 2.604 -5.218 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.953 -7.121 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.110 -5.868 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 63 1.207 -5.356 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.079 -4.560 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.421 -6.288 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.713 -5.084 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.945 -3.018 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.574 -3.481 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.191 -3.619 -5.139 1.00 0.00 H new ATOM 987 N SER A 64 3.590 -8.353 -6.620 1.00 0.00 N ATOM 988 CA SER A 64 4.518 -9.239 -7.312 1.00 0.00 C ATOM 989 C SER A 64 4.550 -8.932 -8.806 1.00 0.00 C ATOM 990 O SER A 64 5.612 -8.936 -9.429 1.00 0.00 O ATOM 991 CB SER A 64 4.124 -10.700 -7.088 1.00 0.00 C ATOM 992 OG SER A 64 4.758 -11.228 -5.935 1.00 0.00 O ATOM 0 H SER A 64 2.885 -8.834 -6.062 1.00 0.00 H new ATOM 0 HA SER A 64 5.515 -9.072 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.042 -10.776 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.398 -11.292 -7.961 1.00 0.00 H new ATOM 0 HG SER A 64 4.455 -10.739 -5.142 1.00 0.00 H new ATOM 998 N ASP A 65 3.379 -8.668 -9.374 1.00 0.00 N ATOM 999 CA ASP A 65 3.271 -8.358 -10.795 1.00 0.00 C ATOM 1000 C ASP A 65 4.087 -7.117 -11.144 1.00 0.00 C ATOM 1001 O ASP A 65 4.682 -7.035 -12.219 1.00 0.00 O ATOM 1002 CB ASP A 65 1.806 -8.145 -11.183 1.00 0.00 C ATOM 1003 CG ASP A 65 1.638 -7.826 -12.655 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.459 -8.307 -13.465 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.685 -7.096 -12.998 1.00 0.00 O ATOM 0 H ASP A 65 2.491 -8.662 -8.872 1.00 0.00 H new ATOM 0 HA ASP A 65 3.669 -9.203 -11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.235 -9.041 -10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.390 -7.332 -10.588 1.00 0.00 H new ATOM 1010 N TYR A 66 4.110 -6.154 -10.230 1.00 0.00 N ATOM 1011 CA TYR A 66 4.850 -4.916 -10.443 1.00 0.00 C ATOM 1012 C TYR A 66 6.331 -5.106 -10.129 1.00 0.00 C ATOM 1013 O TYR A 66 7.075 -4.136 -9.978 1.00 0.00 O ATOM 1014 CB TYR A 66 4.273 -3.796 -9.575 1.00 0.00 C ATOM 1015 CG TYR A 66 2.989 -3.210 -10.117 1.00 0.00 C ATOM 1016 CD1 TYR A 66 3.011 -2.232 -11.104 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.754 -3.635 -9.643 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.840 -1.694 -11.601 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.578 -3.103 -10.136 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.627 -2.132 -11.115 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.542 -1.600 -11.609 1.00 0.00 O ATOM 0 H TYR A 66 3.625 -6.207 -9.334 1.00 0.00 H new ATOM 0 HA TYR A 66 4.752 -4.640 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.091 -4.182 -8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.014 -3.002 -9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.959 -1.887 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.713 -4.394 -8.876 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.875 -0.933 -12.367 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.374 -3.445 -9.757 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.427 -0.638 -11.757 1.00 0.00 H new ATOM 1031 N SER A 67 6.752 -6.363 -10.033 1.00 0.00 N ATOM 1032 CA SER A 67 8.143 -6.682 -9.734 1.00 0.00 C ATOM 1033 C SER A 67 8.577 -6.043 -8.418 1.00 0.00 C ATOM 1034 O SER A 67 9.716 -5.597 -8.278 1.00 0.00 O ATOM 1035 CB SER A 67 9.053 -6.207 -10.868 1.00 0.00 C ATOM 1036 OG SER A 67 8.742 -6.868 -12.082 1.00 0.00 O ATOM 0 H SER A 67 6.150 -7.177 -10.158 1.00 0.00 H new ATOM 0 HA SER A 67 8.228 -7.764 -9.638 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.945 -5.130 -10.998 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.094 -6.393 -10.605 1.00 0.00 H new ATOM 0 HG SER A 67 9.336 -6.546 -12.791 1.00 0.00 H new ATOM 1042 N ILE A 68 7.660 -6.003 -7.457 1.00 0.00 N ATOM 1043 CA ILE A 68 7.947 -5.421 -6.152 1.00 0.00 C ATOM 1044 C ILE A 68 8.149 -6.504 -5.098 1.00 0.00 C ATOM 1045 O ILE A 68 7.202 -7.180 -4.698 1.00 0.00 O ATOM 1046 CB ILE A 68 6.816 -4.480 -5.694 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.621 -3.351 -6.708 1.00 0.00 C ATOM 1048 CG2 ILE A 68 7.123 -3.914 -4.316 1.00 0.00 C ATOM 1049 CD1 ILE A 68 5.332 -2.583 -6.517 1.00 0.00 C ATOM 0 H ILE A 68 6.712 -6.367 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 68 8.867 -4.846 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 68 5.890 -5.052 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.461 -2.660 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.639 -3.770 -7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.315 -3.251 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.217 -4.730 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.057 -3.354 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.261 -1.799 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.485 -3.262 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.320 -2.134 -5.524 1.00 0.00 H new ATOM 1061 N GLY A 69 9.391 -6.663 -4.651 1.00 0.00 N ATOM 1062 CA GLY A 69 9.695 -7.665 -3.646 1.00 0.00 C ATOM 1063 C GLY A 69 9.453 -7.164 -2.236 1.00 0.00 C ATOM 1064 O GLY A 69 8.698 -6.217 -2.012 1.00 0.00 O ATOM 0 H GLY A 69 10.192 -6.116 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.084 -8.550 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.736 -7.971 -3.746 1.00 0.00 H new ATOM 1068 N PRO A 70 10.101 -7.809 -1.255 1.00 0.00 N ATOM 1069 CA PRO A 70 9.967 -7.441 0.158 1.00 0.00 C ATOM 1070 C PRO A 70 10.622 -6.101 0.473 1.00 0.00 C ATOM 1071 O PRO A 70 11.182 -5.451 -0.409 1.00 0.00 O ATOM 1072 CB PRO A 70 10.690 -8.575 0.890 1.00 0.00 C ATOM 1073 CG PRO A 70 11.667 -9.103 -0.103 1.00 0.00 C ATOM 1074 CD PRO A 70 11.016 -8.946 -1.449 1.00 0.00 C ATOM 0 HA PRO A 70 8.924 -7.323 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.193 -8.211 1.786 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.992 -9.349 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.606 -8.552 -0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.901 -10.149 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.750 -8.743 -2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.479 -9.848 -1.743 1.00 0.00 H new ATOM 1082 N ASN A 71 10.547 -5.693 1.736 1.00 0.00 N ATOM 1083 CA ASN A 71 11.133 -4.429 2.167 1.00 0.00 C ATOM 1084 C ASN A 71 10.875 -3.331 1.139 1.00 0.00 C ATOM 1085 O ASN A 71 11.776 -2.569 0.790 1.00 0.00 O ATOM 1086 CB ASN A 71 12.638 -4.590 2.391 1.00 0.00 C ATOM 1087 CG ASN A 71 12.955 -5.583 3.492 1.00 0.00 C ATOM 1088 OD1 ASN A 71 12.097 -6.362 3.907 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.194 -5.559 3.971 1.00 0.00 N ATOM 0 H ASN A 71 10.086 -6.219 2.478 1.00 0.00 H new ATOM 0 HA ASN A 71 10.662 -4.141 3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.108 -4.918 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.071 -3.622 2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.467 -6.204 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.873 -4.896 3.597 1.00 0.00 H new ATOM 1096 N SER A 72 9.638 -3.258 0.658 1.00 0.00 N ATOM 1097 CA SER A 72 9.262 -2.256 -0.333 1.00 0.00 C ATOM 1098 C SER A 72 8.381 -1.178 0.292 1.00 0.00 C ATOM 1099 O SER A 72 7.364 -1.476 0.919 1.00 0.00 O ATOM 1100 CB SER A 72 8.527 -2.915 -1.502 1.00 0.00 C ATOM 1101 OG SER A 72 9.442 -3.409 -2.465 1.00 0.00 O ATOM 0 H SER A 72 8.880 -3.880 0.938 1.00 0.00 H new ATOM 0 HA SER A 72 10.174 -1.787 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.907 -3.732 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.857 -2.193 -1.969 1.00 0.00 H new ATOM 0 HG SER A 72 9.393 -4.387 -2.491 1.00 0.00 H new ATOM 1107 N LYS A 73 8.780 0.078 0.118 1.00 0.00 N ATOM 1108 CA LYS A 73 8.029 1.202 0.662 1.00 0.00 C ATOM 1109 C LYS A 73 7.139 1.830 -0.405 1.00 0.00 C ATOM 1110 O LYS A 73 7.620 2.266 -1.452 1.00 0.00 O ATOM 1111 CB LYS A 73 8.986 2.255 1.227 1.00 0.00 C ATOM 1112 CG LYS A 73 9.799 1.765 2.413 1.00 0.00 C ATOM 1113 CD LYS A 73 10.139 2.901 3.363 1.00 0.00 C ATOM 1114 CE LYS A 73 11.459 3.561 2.993 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.588 2.590 3.011 1.00 0.00 N ATOM 0 H LYS A 73 9.620 0.342 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 73 7.394 0.828 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.667 2.575 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.412 3.131 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.239 0.998 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.718 1.299 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.342 3.644 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.195 2.520 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.378 4.005 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.667 4.373 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.478 3.096 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.429 1.886 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.647 2.109 2.091 1.00 0.00 H new ATOM 1129 N LEU A 74 5.839 1.874 -0.133 1.00 0.00 N ATOM 1130 CA LEU A 74 4.881 2.451 -1.070 1.00 0.00 C ATOM 1131 C LEU A 74 4.520 3.878 -0.671 1.00 0.00 C ATOM 1132 O LEU A 74 4.656 4.261 0.490 1.00 0.00 O ATOM 1133 CB LEU A 74 3.617 1.591 -1.131 1.00 0.00 C ATOM 1134 CG LEU A 74 3.697 0.342 -2.010 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.509 -0.571 -1.749 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.761 0.729 -3.481 1.00 0.00 C ATOM 0 H LEU A 74 5.424 1.517 0.728 1.00 0.00 H new ATOM 0 HA LEU A 74 5.345 2.476 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.363 1.282 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.796 2.212 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 74 4.608 -0.200 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.583 -1.454 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.507 -0.875 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.585 -0.039 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.818 -0.172 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.867 1.293 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.644 1.343 -3.658 1.00 0.00 H new ATOM 1148 N ASN A 75 4.056 4.659 -1.641 1.00 0.00 N ATOM 1149 CA ASN A 75 3.673 6.044 -1.390 1.00 0.00 C ATOM 1150 C ASN A 75 2.159 6.175 -1.265 1.00 0.00 C ATOM 1151 O ASN A 75 1.408 5.637 -2.080 1.00 0.00 O ATOM 1152 CB ASN A 75 4.184 6.947 -2.515 1.00 0.00 C ATOM 1153 CG ASN A 75 5.572 7.491 -2.235 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.571 6.794 -2.415 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.639 8.741 -1.791 1.00 0.00 N ATOM 0 H ASN A 75 3.936 4.357 -2.608 1.00 0.00 H new ATOM 0 HA ASN A 75 4.125 6.356 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.198 6.386 -3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.492 7.778 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.545 9.161 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.784 9.281 -1.657 1.00 0.00 H new ATOM 1162 N LEU A 76 1.716 6.894 -0.240 1.00 0.00 N ATOM 1163 CA LEU A 76 0.290 7.098 -0.007 1.00 0.00 C ATOM 1164 C LEU A 76 -0.127 8.515 -0.387 1.00 0.00 C ATOM 1165 O LEU A 76 0.467 9.492 0.069 1.00 0.00 O ATOM 1166 CB LEU A 76 -0.051 6.830 1.460 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.523 6.551 1.767 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.894 5.135 1.357 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.811 6.774 3.244 1.00 0.00 C ATOM 0 H LEU A 76 2.324 7.346 0.444 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.259 6.397 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.538 5.978 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.265 7.691 2.049 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.133 7.246 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.945 4.954 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.726 5.010 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.277 4.424 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.863 6.571 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.192 6.104 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.585 7.807 3.507 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.154 8.619 -1.225 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.653 9.917 -1.665 1.00 0.00 C ATOM 1183 C VAL A 77 -3.039 10.195 -1.093 1.00 0.00 C ATOM 1184 O VAL A 77 -3.872 9.294 -0.990 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.716 10.003 -3.201 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -2.200 11.377 -3.640 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.358 9.688 -3.809 1.00 0.00 C ATOM 0 H VAL A 77 -1.656 7.820 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.954 10.667 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.430 9.261 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.238 11.419 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.196 11.559 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.514 12.139 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.422 9.754 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.379 10.404 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.056 8.680 -3.523 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.280 11.449 -0.723 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.566 11.847 -0.163 1.00 0.00 C ATOM 1199 C VAL A 78 -5.420 12.563 -1.203 1.00 0.00 C ATOM 1200 O VAL A 78 -5.081 13.658 -1.654 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.385 12.767 1.059 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -3.640 14.034 0.668 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -5.734 13.101 1.678 1.00 0.00 C ATOM 0 H VAL A 78 -2.601 12.207 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.071 10.934 0.151 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.789 12.240 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.522 14.672 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.658 13.772 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.206 14.568 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.588 13.752 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.357 13.609 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.226 12.182 1.997 1.00 0.00 H new