USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.2) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00941 X(o=-0.0094,f=-0.39) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.17 (180deg=-0.435) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 35 SER OG : rot 48:sc= -0.0117 USER MOD Single : A 43 MET CE :methyl -108:sc= -1.26 (180deg=-1.98) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -0.0516 (180deg=-0.333) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= -0.0135 (180deg=-0.939) USER MOD Single : A 57 ASN : amide:sc= -0.136 K(o=-0.14,f=0.59) USER MOD Single : A 59 THR OG1 : rot -160:sc= 0 USER MOD Single : A 60 MET CE :methyl -124:sc= -2.02 (180deg=-5.17!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.42 K(o=0.42,f=-2.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-4!) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= -0.0471 (180deg=-0.288) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.491 2.984 -7.319 1.00 0.00 N ATOM 67 CA VAL A 8 -13.590 3.422 -8.379 1.00 0.00 C ATOM 68 C VAL A 8 -12.134 3.317 -7.941 1.00 0.00 C ATOM 69 O VAL A 8 -11.786 3.685 -6.819 1.00 0.00 O ATOM 70 CB VAL A 8 -13.885 4.873 -8.801 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.615 5.830 -7.650 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.060 5.250 -10.023 1.00 0.00 C ATOM 0 HA VAL A 8 -13.758 2.763 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.940 4.949 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.829 6.851 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.253 5.572 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.569 5.755 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.281 6.279 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.999 5.158 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.308 4.584 -10.849 1.00 0.00 H new ATOM 82 N GLN A 9 -11.288 2.813 -8.833 1.00 0.00 N ATOM 83 CA GLN A 9 -9.868 2.660 -8.538 1.00 0.00 C ATOM 84 C GLN A 9 -9.068 3.838 -9.085 1.00 0.00 C ATOM 85 O GLN A 9 -9.292 4.284 -10.210 1.00 0.00 O ATOM 86 CB GLN A 9 -9.341 1.352 -9.129 1.00 0.00 C ATOM 87 CG GLN A 9 -9.246 1.364 -10.646 1.00 0.00 C ATOM 88 CD GLN A 9 -8.762 0.043 -11.212 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.568 -0.145 -11.445 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.690 -0.880 -11.435 1.00 0.00 N ATOM 0 H GLN A 9 -11.561 2.504 -9.766 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.748 2.635 -7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.355 1.147 -8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.993 0.535 -8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.225 1.598 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.568 2.158 -10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.668 -0.680 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.425 -1.789 -11.814 1.00 0.00 H new ATOM 99 N ARG A 10 -8.135 4.337 -8.281 1.00 0.00 N ATOM 100 CA ARG A 10 -7.303 5.465 -8.684 1.00 0.00 C ATOM 101 C ARG A 10 -5.861 5.021 -8.911 1.00 0.00 C ATOM 102 O ARG A 10 -5.460 3.936 -8.488 1.00 0.00 O ATOM 103 CB ARG A 10 -7.349 6.565 -7.622 1.00 0.00 C ATOM 104 CG ARG A 10 -6.904 7.925 -8.135 1.00 0.00 C ATOM 105 CD ARG A 10 -7.362 9.045 -7.215 1.00 0.00 C ATOM 106 NE ARG A 10 -8.725 9.477 -7.515 1.00 0.00 N ATOM 107 CZ ARG A 10 -9.256 10.604 -7.055 1.00 0.00 C ATOM 108 NH1 ARG A 10 -8.544 11.408 -6.277 1.00 0.00 N ATOM 109 NH2 ARG A 10 -10.503 10.929 -7.373 1.00 0.00 N ATOM 0 H ARG A 10 -7.936 3.978 -7.347 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.696 5.859 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.366 6.646 -7.238 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.714 6.276 -6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.818 7.945 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.306 8.087 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.308 8.709 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.684 9.893 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.300 8.881 -8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.585 11.162 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.955 12.273 -5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.054 10.313 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.910 11.795 -7.019 1.00 0.00 H new ATOM 123 N CYS A 11 -5.086 5.868 -9.581 1.00 0.00 N ATOM 124 CA CYS A 11 -3.688 5.563 -9.866 1.00 0.00 C ATOM 125 C CYS A 11 -2.774 6.663 -9.337 1.00 0.00 C ATOM 126 O CYS A 11 -2.785 7.788 -9.837 1.00 0.00 O ATOM 127 CB CYS A 11 -3.479 5.388 -11.371 1.00 0.00 C ATOM 128 SG CYS A 11 -2.096 4.307 -11.803 1.00 0.00 S ATOM 0 H CYS A 11 -5.402 6.770 -9.937 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.434 4.631 -9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.392 4.985 -11.809 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.315 6.367 -11.821 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.001 4.220 -13.097 1.00 0.00 H new ATOM 134 N VAL A 12 -1.982 6.330 -8.322 1.00 0.00 N ATOM 135 CA VAL A 12 -1.061 7.290 -7.725 1.00 0.00 C ATOM 136 C VAL A 12 0.384 6.826 -7.866 1.00 0.00 C ATOM 137 O VAL A 12 0.697 5.659 -7.630 1.00 0.00 O ATOM 138 CB VAL A 12 -1.373 7.514 -6.233 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.262 6.207 -5.462 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.447 8.569 -5.648 1.00 0.00 C ATOM 0 H VAL A 12 -1.960 5.403 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.192 8.230 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.398 7.874 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.486 6.385 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.971 5.485 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.250 5.814 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.681 8.715 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.588 8.241 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.583 9.509 -6.183 1.00 0.00 H new ATOM 150 N ILE A 13 1.260 7.747 -8.252 1.00 0.00 N ATOM 151 CA ILE A 13 2.673 7.432 -8.424 1.00 0.00 C ATOM 152 C ILE A 13 3.531 8.188 -7.415 1.00 0.00 C ATOM 153 O ILE A 13 3.574 9.419 -7.420 1.00 0.00 O ATOM 154 CB ILE A 13 3.157 7.770 -9.846 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.327 7.010 -10.884 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.634 7.439 -9.996 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.304 7.674 -12.243 1.00 0.00 C ATOM 0 H ILE A 13 1.017 8.717 -8.452 1.00 0.00 H new ATOM 0 HA ILE A 13 2.779 6.360 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 13 3.026 8.839 -10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.726 6.001 -10.988 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.305 6.912 -10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.961 7.684 -11.007 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.212 8.020 -9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.789 6.376 -9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.698 7.081 -12.928 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.877 8.673 -12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.321 7.747 -12.629 1.00 0.00 H new ATOM 169 N ILE A 14 4.213 7.444 -6.551 1.00 0.00 N ATOM 170 CA ILE A 14 5.072 8.044 -5.538 1.00 0.00 C ATOM 171 C ILE A 14 6.530 8.048 -5.986 1.00 0.00 C ATOM 172 O ILE A 14 7.046 7.037 -6.459 1.00 0.00 O ATOM 173 CB ILE A 14 4.962 7.299 -4.194 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.511 7.286 -3.710 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.866 7.946 -3.155 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.181 6.109 -2.820 1.00 0.00 C ATOM 0 H ILE A 14 4.187 6.424 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 14 4.732 9.071 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 14 5.286 6.268 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.309 8.209 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.848 7.274 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.778 7.409 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.900 7.909 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.569 8.985 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.136 6.165 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.350 5.181 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.819 6.131 -1.936 1.00 0.00 H new ATOM 188 N GLN A 15 7.187 9.193 -5.831 1.00 0.00 N ATOM 189 CA GLN A 15 8.586 9.329 -6.219 1.00 0.00 C ATOM 190 C GLN A 15 9.444 9.736 -5.026 1.00 0.00 C ATOM 191 O GLN A 15 9.041 10.565 -4.211 1.00 0.00 O ATOM 192 CB GLN A 15 8.728 10.359 -7.341 1.00 0.00 C ATOM 193 CG GLN A 15 8.506 11.792 -6.883 1.00 0.00 C ATOM 194 CD GLN A 15 8.984 12.810 -7.899 1.00 0.00 C ATOM 195 OE1 GLN A 15 10.088 12.700 -8.434 1.00 0.00 O ATOM 196 NE2 GLN A 15 8.154 13.810 -8.171 1.00 0.00 N ATOM 0 H GLN A 15 6.773 10.039 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 15 8.933 8.361 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.724 10.275 -7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.015 10.124 -8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.444 11.947 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.028 11.953 -5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.248 13.862 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.422 14.526 -8.847 1.00 0.00 H new ATOM 205 N LYS A 16 10.631 9.146 -4.930 1.00 0.00 N ATOM 206 CA LYS A 16 11.549 9.447 -3.837 1.00 0.00 C ATOM 207 C LYS A 16 11.585 10.946 -3.554 1.00 0.00 C ATOM 208 O LYS A 16 11.861 11.749 -4.446 1.00 0.00 O ATOM 209 CB LYS A 16 12.955 8.947 -4.172 1.00 0.00 C ATOM 210 CG LYS A 16 12.998 7.487 -4.591 1.00 0.00 C ATOM 211 CD LYS A 16 14.350 6.861 -4.292 1.00 0.00 C ATOM 212 CE LYS A 16 15.375 7.210 -5.360 1.00 0.00 C ATOM 213 NZ LYS A 16 15.103 6.502 -6.641 1.00 0.00 N ATOM 0 H LYS A 16 10.980 8.457 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 16 11.191 8.935 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.367 9.559 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.598 9.086 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.217 6.935 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.787 7.407 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.704 7.205 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.244 5.778 -4.228 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.369 8.286 -5.531 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.372 6.949 -5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.948 6.543 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.866 5.509 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.306 6.959 -7.128 1.00 0.00 H new ATOM 281 N PHE A 21 10.759 6.080 0.126 1.00 0.00 N ATOM 282 CA PHE A 21 9.340 5.871 0.390 1.00 0.00 C ATOM 283 C PHE A 21 9.062 5.864 1.890 1.00 0.00 C ATOM 284 O PHE A 21 9.836 5.317 2.674 1.00 0.00 O ATOM 285 CB PHE A 21 8.872 4.555 -0.233 1.00 0.00 C ATOM 286 CG PHE A 21 9.375 4.341 -1.632 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.005 5.200 -2.654 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.219 3.282 -1.924 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.467 5.005 -3.942 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.684 3.082 -3.211 1.00 0.00 C ATOM 291 CZ PHE A 21 10.308 3.946 -4.221 1.00 0.00 C ATOM 0 HA PHE A 21 8.787 6.695 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.203 3.727 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.782 4.533 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.349 6.031 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.517 2.605 -1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.170 5.681 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.340 2.252 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.671 3.794 -5.227 1.00 0.00 H new ATOM 301 N GLY A 22 7.949 6.477 2.283 1.00 0.00 N ATOM 302 CA GLY A 22 7.587 6.531 3.687 1.00 0.00 C ATOM 303 C GLY A 22 6.301 5.787 3.984 1.00 0.00 C ATOM 304 O GLY A 22 5.475 6.249 4.772 1.00 0.00 O ATOM 0 H GLY A 22 7.292 6.937 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.394 6.107 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.479 7.572 3.991 1.00 0.00 H new ATOM 308 N PHE A 23 6.127 4.632 3.351 1.00 0.00 N ATOM 309 CA PHE A 23 4.930 3.823 3.549 1.00 0.00 C ATOM 310 C PHE A 23 5.285 2.343 3.652 1.00 0.00 C ATOM 311 O PHE A 23 6.203 1.863 2.985 1.00 0.00 O ATOM 312 CB PHE A 23 3.944 4.044 2.400 1.00 0.00 C ATOM 313 CG PHE A 23 4.209 3.171 1.206 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.265 3.444 0.352 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.402 2.077 0.939 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.510 2.643 -0.747 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.642 1.272 -0.158 1.00 0.00 C ATOM 318 CZ PHE A 23 4.699 1.555 -1.002 1.00 0.00 C ATOM 0 H PHE A 23 6.800 4.235 2.696 1.00 0.00 H new ATOM 0 HA PHE A 23 4.463 4.132 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.932 3.857 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.985 5.089 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.904 4.292 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.575 1.851 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.335 2.868 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.005 0.423 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.890 0.927 -1.859 1.00 0.00 H new ATOM 328 N THR A 24 4.551 1.622 4.494 1.00 0.00 N ATOM 329 CA THR A 24 4.787 0.197 4.687 1.00 0.00 C ATOM 330 C THR A 24 3.520 -0.611 4.432 1.00 0.00 C ATOM 331 O THR A 24 2.436 -0.050 4.269 1.00 0.00 O ATOM 332 CB THR A 24 5.294 -0.101 6.111 1.00 0.00 C ATOM 333 OG1 THR A 24 4.855 -1.399 6.526 1.00 0.00 O ATOM 334 CG2 THR A 24 4.792 0.947 7.094 1.00 0.00 C ATOM 0 H THR A 24 3.788 2.002 5.053 1.00 0.00 H new ATOM 0 HA THR A 24 5.552 -0.096 3.968 1.00 0.00 H new ATOM 0 HB THR A 24 6.384 -0.073 6.098 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.183 -1.581 7.431 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.162 0.716 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.151 1.931 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.702 0.946 7.102 1.00 0.00 H new ATOM 342 N VAL A 25 3.662 -1.932 4.399 1.00 0.00 N ATOM 343 CA VAL A 25 2.528 -2.818 4.165 1.00 0.00 C ATOM 344 C VAL A 25 2.682 -4.124 4.936 1.00 0.00 C ATOM 345 O VAL A 25 3.745 -4.410 5.486 1.00 0.00 O ATOM 346 CB VAL A 25 2.363 -3.135 2.667 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.047 -1.869 1.884 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.615 -3.808 2.124 1.00 0.00 C ATOM 0 H VAL A 25 4.552 -2.413 4.531 1.00 0.00 H new ATOM 0 HA VAL A 25 1.640 -2.294 4.518 1.00 0.00 H new ATOM 0 HB VAL A 25 1.527 -3.824 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.934 -2.113 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.120 -1.432 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.860 -1.153 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.481 -4.025 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.470 -3.144 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.792 -4.738 2.665 1.00 0.00 H new ATOM 358 N SER A 26 1.613 -4.913 4.971 1.00 0.00 N ATOM 359 CA SER A 26 1.628 -6.189 5.678 1.00 0.00 C ATOM 360 C SER A 26 0.336 -6.961 5.432 1.00 0.00 C ATOM 361 O SER A 26 -0.741 -6.375 5.328 1.00 0.00 O ATOM 362 CB SER A 26 1.823 -5.962 7.178 1.00 0.00 C ATOM 363 OG SER A 26 2.404 -7.099 7.795 1.00 0.00 O ATOM 0 H SER A 26 0.726 -4.692 4.519 1.00 0.00 H new ATOM 0 HA SER A 26 2.461 -6.779 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.460 -5.092 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.862 -5.743 7.644 1.00 0.00 H new ATOM 0 HG SER A 26 2.520 -6.928 8.753 1.00 0.00 H new ATOM 369 N GLY A 27 0.452 -8.283 5.341 1.00 0.00 N ATOM 370 CA GLY A 27 -0.714 -9.115 5.108 1.00 0.00 C ATOM 371 C GLY A 27 -0.599 -9.930 3.834 1.00 0.00 C ATOM 372 O GLY A 27 -0.824 -9.416 2.738 1.00 0.00 O ATOM 0 H GLY A 27 1.332 -8.792 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.852 -9.787 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.602 -8.485 5.054 1.00 0.00 H new ATOM 376 N ASP A 28 -0.248 -11.203 3.978 1.00 0.00 N ATOM 377 CA ASP A 28 -0.103 -12.090 2.830 1.00 0.00 C ATOM 378 C ASP A 28 -1.121 -11.747 1.746 1.00 0.00 C ATOM 379 O ASP A 28 -0.756 -11.306 0.656 1.00 0.00 O ATOM 380 CB ASP A 28 -0.270 -13.548 3.261 1.00 0.00 C ATOM 381 CG ASP A 28 0.908 -14.051 4.071 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.032 -13.651 5.248 1.00 0.00 O ATOM 383 OD2 ASP A 28 1.706 -14.844 3.530 1.00 0.00 O ATOM 0 H ASP A 28 -0.059 -11.644 4.878 1.00 0.00 H new ATOM 0 HA ASP A 28 0.898 -11.953 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.181 -13.647 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.393 -14.173 2.377 1.00 0.00 H new ATOM 388 N ARG A 29 -2.397 -11.954 2.053 1.00 0.00 N ATOM 389 CA ARG A 29 -3.467 -11.669 1.105 1.00 0.00 C ATOM 390 C ARG A 29 -4.106 -10.315 1.398 1.00 0.00 C ATOM 391 O ARG A 29 -4.119 -9.858 2.541 1.00 0.00 O ATOM 392 CB ARG A 29 -4.529 -12.768 1.156 1.00 0.00 C ATOM 393 CG ARG A 29 -5.323 -12.909 -0.133 1.00 0.00 C ATOM 394 CD ARG A 29 -6.219 -14.137 -0.104 1.00 0.00 C ATOM 395 NE ARG A 29 -6.658 -14.526 -1.441 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.133 -15.730 -1.738 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.231 -16.658 -0.796 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.512 -16.008 -2.978 1.00 0.00 N ATOM 0 H ARG A 29 -2.715 -12.318 2.951 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.034 -11.639 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.045 -13.719 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.217 -12.559 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.931 -12.017 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.638 -12.977 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.682 -14.966 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.090 -13.935 0.519 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.596 -13.835 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.941 -16.448 0.159 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.596 -17.582 -1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.439 -15.297 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.877 -16.933 -3.205 1.00 0.00 H new ATOM 412 N ILE A 30 -4.635 -9.679 0.358 1.00 0.00 N ATOM 413 CA ILE A 30 -5.277 -8.378 0.504 1.00 0.00 C ATOM 414 C ILE A 30 -4.368 -7.396 1.236 1.00 0.00 C ATOM 415 O ILE A 30 -4.783 -6.747 2.197 1.00 0.00 O ATOM 416 CB ILE A 30 -6.611 -8.490 1.265 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.488 -9.578 0.643 1.00 0.00 C ATOM 418 CG2 ILE A 30 -7.336 -7.153 1.265 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.606 -9.472 -0.862 1.00 0.00 C ATOM 0 H ILE A 30 -4.632 -10.043 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.473 -8.008 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.400 -8.766 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.078 -10.555 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.484 -9.526 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.277 -7.249 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.713 -6.401 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.538 -6.849 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.242 -10.275 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.045 -8.510 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.616 -9.555 -1.311 1.00 0.00 H new ATOM 431 N VAL A 31 -3.126 -7.291 0.775 1.00 0.00 N ATOM 432 CA VAL A 31 -2.158 -6.386 1.384 1.00 0.00 C ATOM 433 C VAL A 31 -2.758 -5.001 1.594 1.00 0.00 C ATOM 434 O VAL A 31 -3.478 -4.487 0.736 1.00 0.00 O ATOM 435 CB VAL A 31 -0.889 -6.259 0.520 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.094 -5.287 1.156 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.246 -7.622 0.314 1.00 0.00 C ATOM 0 H VAL A 31 -2.766 -7.821 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.889 -6.812 2.351 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.173 -5.866 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.984 -5.210 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.372 -4.306 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.374 -5.648 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.649 -7.513 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.025 -8.046 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.951 -8.285 -0.188 1.00 0.00 H new ATOM 447 N LEU A 32 -2.457 -4.399 2.739 1.00 0.00 N ATOM 448 CA LEU A 32 -2.966 -3.071 3.063 1.00 0.00 C ATOM 449 C LEU A 32 -1.857 -2.184 3.620 1.00 0.00 C ATOM 450 O LEU A 32 -0.868 -2.675 4.164 1.00 0.00 O ATOM 451 CB LEU A 32 -4.109 -3.174 4.074 1.00 0.00 C ATOM 452 CG LEU A 32 -5.393 -3.834 3.571 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.325 -4.142 4.732 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.086 -2.943 2.550 1.00 0.00 C ATOM 0 H LEU A 32 -1.863 -4.810 3.459 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.341 -2.619 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.752 -3.732 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.352 -2.170 4.421 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.130 -4.773 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.234 -4.611 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.829 -4.819 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.582 -3.217 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.998 -3.429 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.337 -1.988 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.420 -2.774 1.704 1.00 0.00 H new ATOM 466 N VAL A 33 -2.030 -0.873 3.482 1.00 0.00 N ATOM 467 CA VAL A 33 -1.046 0.084 3.974 1.00 0.00 C ATOM 468 C VAL A 33 -1.008 0.099 5.498 1.00 0.00 C ATOM 469 O VAL A 33 -1.938 0.578 6.146 1.00 0.00 O ATOM 470 CB VAL A 33 -1.343 1.507 3.465 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.343 2.499 4.039 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.328 1.542 1.944 1.00 0.00 C ATOM 0 H VAL A 33 -2.842 -0.450 3.034 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.076 -0.235 3.592 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.339 1.795 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.569 3.499 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.407 2.492 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.665 2.218 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.540 2.555 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.347 1.234 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.087 0.862 1.557 1.00 0.00 H new ATOM 482 N GLN A 34 0.073 -0.429 6.063 1.00 0.00 N ATOM 483 CA GLN A 34 0.231 -0.477 7.512 1.00 0.00 C ATOM 484 C GLN A 34 0.249 0.929 8.104 1.00 0.00 C ATOM 485 O GLN A 34 -0.595 1.275 8.931 1.00 0.00 O ATOM 486 CB GLN A 34 1.520 -1.214 7.881 1.00 0.00 C ATOM 487 CG GLN A 34 1.461 -1.900 9.237 1.00 0.00 C ATOM 488 CD GLN A 34 1.711 -0.943 10.386 1.00 0.00 C ATOM 489 OE1 GLN A 34 0.782 -0.536 11.084 1.00 0.00 O ATOM 490 NE2 GLN A 34 2.972 -0.578 10.588 1.00 0.00 N ATOM 0 H GLN A 34 0.852 -0.829 5.540 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.620 -1.016 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.735 -1.959 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.348 -0.505 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.483 -2.365 9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.201 -2.700 9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.711 -0.940 9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.202 0.064 11.346 1.00 0.00 H new ATOM 499 N SER A 35 1.215 1.734 7.675 1.00 0.00 N ATOM 500 CA SER A 35 1.345 3.101 8.166 1.00 0.00 C ATOM 501 C SER A 35 1.803 4.038 7.052 1.00 0.00 C ATOM 502 O SER A 35 2.274 3.592 6.006 1.00 0.00 O ATOM 503 CB SER A 35 2.333 3.155 9.332 1.00 0.00 C ATOM 504 OG SER A 35 2.293 4.417 9.977 1.00 0.00 O ATOM 0 H SER A 35 1.919 1.464 6.988 1.00 0.00 H new ATOM 0 HA SER A 35 0.366 3.430 8.514 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.097 2.369 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.342 2.961 8.967 1.00 0.00 H new ATOM 0 HG SER A 35 1.361 4.668 10.148 1.00 0.00 H new ATOM 510 N VAL A 36 1.660 5.339 7.285 1.00 0.00 N ATOM 511 CA VAL A 36 2.060 6.339 6.302 1.00 0.00 C ATOM 512 C VAL A 36 2.768 7.512 6.970 1.00 0.00 C ATOM 513 O VAL A 36 2.205 8.178 7.839 1.00 0.00 O ATOM 514 CB VAL A 36 0.847 6.868 5.514 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.261 8.009 4.598 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.198 5.744 4.719 1.00 0.00 C ATOM 0 H VAL A 36 1.270 5.725 8.145 1.00 0.00 H new ATOM 0 HA VAL A 36 2.746 5.848 5.612 1.00 0.00 H new ATOM 0 HB VAL A 36 0.114 7.252 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.391 8.369 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.677 8.822 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.013 7.655 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.657 6.135 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.922 5.329 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.136 4.962 5.401 1.00 0.00 H new ATOM 526 N ARG A 37 4.007 7.761 6.559 1.00 0.00 N ATOM 527 CA ARG A 37 4.794 8.854 7.117 1.00 0.00 C ATOM 528 C ARG A 37 3.970 10.136 7.186 1.00 0.00 C ATOM 529 O ARG A 37 3.180 10.444 6.294 1.00 0.00 O ATOM 530 CB ARG A 37 6.051 9.087 6.278 1.00 0.00 C ATOM 531 CG ARG A 37 7.244 8.258 6.724 1.00 0.00 C ATOM 532 CD ARG A 37 7.749 8.698 8.090 1.00 0.00 C ATOM 533 NE ARG A 37 9.093 8.196 8.364 1.00 0.00 N ATOM 534 CZ ARG A 37 9.851 8.635 9.362 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.401 9.579 10.176 1.00 0.00 N ATOM 536 NH2 ARG A 37 11.064 8.129 9.548 1.00 0.00 N ATOM 0 H ARG A 37 4.488 7.220 5.841 1.00 0.00 H new ATOM 0 HA ARG A 37 5.089 8.576 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.829 8.858 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.316 10.143 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.964 7.205 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.046 8.349 5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.751 9.787 8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.065 8.343 8.861 1.00 0.00 H new ATOM 0 HE ARG A 37 9.470 7.469 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.470 9.971 10.037 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.986 9.914 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.415 7.402 8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.645 8.467 10.315 1.00 0.00 H new ATOM 550 N PRO A 38 4.158 10.903 8.271 1.00 0.00 N ATOM 551 CA PRO A 38 3.441 12.164 8.483 1.00 0.00 C ATOM 552 C PRO A 38 3.888 13.254 7.515 1.00 0.00 C ATOM 553 O PRO A 38 3.321 14.345 7.488 1.00 0.00 O ATOM 554 CB PRO A 38 3.806 12.543 9.920 1.00 0.00 C ATOM 555 CG PRO A 38 5.115 11.875 10.167 1.00 0.00 C ATOM 556 CD PRO A 38 5.084 10.597 9.374 1.00 0.00 C ATOM 0 HA PRO A 38 2.369 12.057 8.315 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.885 13.624 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.048 12.201 10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.943 12.510 9.852 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.255 11.672 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.074 10.329 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.730 9.759 9.975 1.00 0.00 H new ATOM 564 N GLY A 39 4.909 12.950 6.719 1.00 0.00 N ATOM 565 CA GLY A 39 5.414 13.915 5.760 1.00 0.00 C ATOM 566 C GLY A 39 6.395 13.300 4.781 1.00 0.00 C ATOM 567 O GLY A 39 7.341 13.955 4.345 1.00 0.00 O ATOM 0 H GLY A 39 5.395 12.053 6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.578 14.347 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.901 14.732 6.293 1.00 0.00 H new ATOM 571 N GLY A 40 6.171 12.036 4.435 1.00 0.00 N ATOM 572 CA GLY A 40 7.052 11.353 3.506 1.00 0.00 C ATOM 573 C GLY A 40 6.721 11.663 2.059 1.00 0.00 C ATOM 574 O GLY A 40 6.355 12.790 1.727 1.00 0.00 O ATOM 0 H GLY A 40 5.395 11.473 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.083 11.641 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.983 10.277 3.669 1.00 0.00 H new ATOM 578 N ALA A 41 6.850 10.660 1.197 1.00 0.00 N ATOM 579 CA ALA A 41 6.562 10.831 -0.222 1.00 0.00 C ATOM 580 C ALA A 41 5.194 10.257 -0.577 1.00 0.00 C ATOM 581 O ALA A 41 4.520 10.750 -1.480 1.00 0.00 O ATOM 582 CB ALA A 41 7.646 10.175 -1.063 1.00 0.00 C ATOM 0 H ALA A 41 7.152 9.721 1.456 1.00 0.00 H new ATOM 0 HA ALA A 41 6.546 11.899 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.418 10.310 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.609 10.634 -0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.689 9.110 -0.835 1.00 0.00 H new ATOM 588 N ALA A 42 4.792 9.212 0.139 1.00 0.00 N ATOM 589 CA ALA A 42 3.505 8.572 -0.100 1.00 0.00 C ATOM 590 C ALA A 42 2.356 9.452 0.381 1.00 0.00 C ATOM 591 O ALA A 42 1.333 9.576 -0.291 1.00 0.00 O ATOM 592 CB ALA A 42 3.455 7.215 0.585 1.00 0.00 C ATOM 0 H ALA A 42 5.340 8.791 0.889 1.00 0.00 H new ATOM 0 HA ALA A 42 3.393 8.429 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.488 6.748 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.247 6.579 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.594 7.344 1.658 1.00 0.00 H new ATOM 598 N MET A 43 2.533 10.062 1.549 1.00 0.00 N ATOM 599 CA MET A 43 1.510 10.931 2.119 1.00 0.00 C ATOM 600 C MET A 43 1.176 12.075 1.167 1.00 0.00 C ATOM 601 O MET A 43 0.016 12.280 0.809 1.00 0.00 O ATOM 602 CB MET A 43 1.979 11.492 3.463 1.00 0.00 C ATOM 603 CG MET A 43 0.991 12.458 4.097 1.00 0.00 C ATOM 604 SD MET A 43 1.305 12.721 5.852 1.00 0.00 S ATOM 605 CE MET A 43 0.422 11.336 6.566 1.00 0.00 C ATOM 0 H MET A 43 3.374 9.971 2.118 1.00 0.00 H new ATOM 0 HA MET A 43 0.610 10.337 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.158 10.665 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.933 12.001 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.039 13.414 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.021 12.074 3.967 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.478 11.696 7.064 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.145 10.636 5.778 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.061 10.832 7.291 1.00 0.00 H new ATOM 615 N LYS A 44 2.200 12.817 0.759 1.00 0.00 N ATOM 616 CA LYS A 44 2.016 13.940 -0.153 1.00 0.00 C ATOM 617 C LYS A 44 1.371 13.482 -1.457 1.00 0.00 C ATOM 618 O LYS A 44 0.667 14.248 -2.115 1.00 0.00 O ATOM 619 CB LYS A 44 3.360 14.612 -0.445 1.00 0.00 C ATOM 620 CG LYS A 44 4.363 13.696 -1.125 1.00 0.00 C ATOM 621 CD LYS A 44 5.493 14.484 -1.765 1.00 0.00 C ATOM 622 CE LYS A 44 6.278 13.632 -2.751 1.00 0.00 C ATOM 623 NZ LYS A 44 5.466 13.280 -3.949 1.00 0.00 N ATOM 0 H LYS A 44 3.166 12.661 1.046 1.00 0.00 H new ATOM 0 HA LYS A 44 1.353 14.660 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.191 15.484 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.787 14.974 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.773 12.998 -0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.857 13.101 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.085 15.355 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.163 14.856 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.173 14.170 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.611 12.719 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.098 13.007 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.836 12.485 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.897 14.102 -4.236 1.00 0.00 H new ATOM 637 N ALA A 45 1.615 12.228 -1.824 1.00 0.00 N ATOM 638 CA ALA A 45 1.054 11.667 -3.047 1.00 0.00 C ATOM 639 C ALA A 45 -0.450 11.455 -2.915 1.00 0.00 C ATOM 640 O ALA A 45 -1.188 11.541 -3.895 1.00 0.00 O ATOM 641 CB ALA A 45 1.746 10.357 -3.392 1.00 0.00 C ATOM 0 H ALA A 45 2.197 11.581 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 45 1.224 12.379 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.317 9.949 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.811 10.536 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.606 9.646 -2.578 1.00 0.00 H new ATOM 647 N GLY A 46 -0.898 11.174 -1.695 1.00 0.00 N ATOM 648 CA GLY A 46 -2.313 10.953 -1.457 1.00 0.00 C ATOM 649 C GLY A 46 -2.602 9.556 -0.944 1.00 0.00 C ATOM 650 O GLY A 46 -3.611 8.951 -1.306 1.00 0.00 O ATOM 0 H GLY A 46 -0.307 11.095 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.676 11.684 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.864 11.118 -2.383 1.00 0.00 H new ATOM 654 N VAL A 47 -1.714 9.042 -0.099 1.00 0.00 N ATOM 655 CA VAL A 47 -1.879 7.707 0.465 1.00 0.00 C ATOM 656 C VAL A 47 -2.165 7.774 1.961 1.00 0.00 C ATOM 657 O VAL A 47 -1.514 8.516 2.697 1.00 0.00 O ATOM 658 CB VAL A 47 -0.628 6.841 0.231 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.842 5.436 0.773 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.276 6.802 -1.249 1.00 0.00 C ATOM 0 H VAL A 47 -0.873 9.529 0.210 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.728 7.251 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 47 0.208 7.289 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.053 4.839 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.042 5.485 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.690 4.976 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.611 6.185 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.109 6.379 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.077 7.814 -1.602 1.00 0.00 H new ATOM 670 N LYS A 48 -3.144 6.993 2.406 1.00 0.00 N ATOM 671 CA LYS A 48 -3.517 6.961 3.815 1.00 0.00 C ATOM 672 C LYS A 48 -3.577 5.526 4.329 1.00 0.00 C ATOM 673 O LYS A 48 -3.574 4.577 3.546 1.00 0.00 O ATOM 674 CB LYS A 48 -4.870 7.645 4.021 1.00 0.00 C ATOM 675 CG LYS A 48 -5.997 7.020 3.217 1.00 0.00 C ATOM 676 CD LYS A 48 -7.135 8.002 2.996 1.00 0.00 C ATOM 677 CE LYS A 48 -8.424 7.286 2.620 1.00 0.00 C ATOM 678 NZ LYS A 48 -9.605 8.187 2.709 1.00 0.00 N ATOM 0 H LYS A 48 -3.694 6.373 1.810 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.755 7.499 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.128 7.610 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.781 8.697 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.614 6.682 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.372 6.139 3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.293 8.587 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.864 8.703 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.340 6.896 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.570 6.430 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.463 7.662 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.700 8.539 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.478 8.991 2.061 1.00 0.00 H new ATOM 692 N GLU A 49 -3.633 5.377 5.649 1.00 0.00 N ATOM 693 CA GLU A 49 -3.695 4.057 6.266 1.00 0.00 C ATOM 694 C GLU A 49 -5.058 3.411 6.033 1.00 0.00 C ATOM 695 O GLU A 49 -6.097 4.012 6.305 1.00 0.00 O ATOM 696 CB GLU A 49 -3.416 4.157 7.767 1.00 0.00 C ATOM 697 CG GLU A 49 -2.182 4.979 8.102 1.00 0.00 C ATOM 698 CD GLU A 49 -2.020 5.204 9.593 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.894 5.865 10.192 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.019 4.720 10.161 1.00 0.00 O ATOM 0 H GLU A 49 -3.637 6.153 6.311 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.932 3.432 5.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.282 4.599 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.295 3.153 8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.297 4.473 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.244 5.943 7.597 1.00 0.00 H new ATOM 707 N GLY A 50 -5.045 2.181 5.527 1.00 0.00 N ATOM 708 CA GLY A 50 -6.285 1.474 5.265 1.00 0.00 C ATOM 709 C GLY A 50 -6.631 1.437 3.790 1.00 0.00 C ATOM 710 O GLY A 50 -7.803 1.513 3.418 1.00 0.00 O ATOM 0 H GLY A 50 -4.198 1.662 5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.205 0.454 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.096 1.954 5.813 1.00 0.00 H new ATOM 714 N ASP A 51 -5.611 1.323 2.947 1.00 0.00 N ATOM 715 CA ASP A 51 -5.813 1.278 1.503 1.00 0.00 C ATOM 716 C ASP A 51 -5.338 -0.054 0.930 1.00 0.00 C ATOM 717 O ASP A 51 -4.310 -0.588 1.345 1.00 0.00 O ATOM 718 CB ASP A 51 -5.072 2.432 0.826 1.00 0.00 C ATOM 719 CG ASP A 51 -5.669 3.783 1.169 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.908 3.919 1.102 1.00 0.00 O ATOM 721 OD2 ASP A 51 -4.896 4.704 1.506 1.00 0.00 O ATOM 0 H ASP A 51 -4.636 1.260 3.238 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.881 1.378 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.025 2.414 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.096 2.291 -0.255 1.00 0.00 H new ATOM 726 N ARG A 52 -6.095 -0.584 -0.025 1.00 0.00 N ATOM 727 CA ARG A 52 -5.752 -1.854 -0.654 1.00 0.00 C ATOM 728 C ARG A 52 -5.049 -1.628 -1.989 1.00 0.00 C ATOM 729 O ARG A 52 -5.519 -0.857 -2.827 1.00 0.00 O ATOM 730 CB ARG A 52 -7.010 -2.699 -0.865 1.00 0.00 C ATOM 731 CG ARG A 52 -6.729 -4.186 -1.005 1.00 0.00 C ATOM 732 CD ARG A 52 -7.891 -4.913 -1.664 1.00 0.00 C ATOM 733 NE ARG A 52 -9.047 -5.016 -0.777 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.134 -5.721 -1.066 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.214 -6.384 -2.212 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.145 -5.766 -0.207 1.00 0.00 N ATOM 0 H ARG A 52 -6.949 -0.154 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.071 -2.387 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.687 -2.543 -0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.526 -2.350 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.825 -4.332 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.540 -4.616 -0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.178 -4.387 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.572 -5.912 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.017 -4.519 0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.439 -6.353 -2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.051 -6.925 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.087 -5.259 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.980 -6.308 -0.430 1.00 0.00 H new ATOM 750 N ILE A 53 -3.921 -2.304 -2.180 1.00 0.00 N ATOM 751 CA ILE A 53 -3.154 -2.177 -3.413 1.00 0.00 C ATOM 752 C ILE A 53 -3.489 -3.301 -4.387 1.00 0.00 C ATOM 753 O ILE A 53 -3.097 -4.450 -4.183 1.00 0.00 O ATOM 754 CB ILE A 53 -1.639 -2.187 -3.137 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.264 -1.047 -2.188 1.00 0.00 C ATOM 756 CG2 ILE A 53 -0.862 -2.075 -4.440 1.00 0.00 C ATOM 757 CD1 ILE A 53 0.071 -1.244 -1.504 1.00 0.00 C ATOM 0 H ILE A 53 -3.518 -2.945 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.428 -1.220 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.378 -3.132 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.242 -0.112 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.040 -0.946 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.207 -2.083 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.111 -2.917 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.125 -1.144 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.271 -0.398 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.047 -2.162 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.858 -1.314 -2.255 1.00 0.00 H new ATOM 769 N ILE A 54 -4.215 -2.961 -5.447 1.00 0.00 N ATOM 770 CA ILE A 54 -4.600 -3.941 -6.455 1.00 0.00 C ATOM 771 C ILE A 54 -3.464 -4.190 -7.442 1.00 0.00 C ATOM 772 O ILE A 54 -2.973 -5.312 -7.570 1.00 0.00 O ATOM 773 CB ILE A 54 -5.850 -3.489 -7.232 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.030 -3.300 -6.276 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.195 -4.499 -8.315 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.265 -2.737 -6.945 1.00 0.00 C ATOM 0 H ILE A 54 -4.548 -2.014 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.827 -4.866 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.637 -2.533 -7.710 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.278 -4.260 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.729 -2.634 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.081 -4.165 -8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.359 -4.588 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.393 -5.469 -7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.061 -2.630 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.034 -1.762 -7.374 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.591 -3.413 -7.735 1.00 0.00 H new ATOM 788 N LYS A 55 -3.050 -3.136 -8.137 1.00 0.00 N ATOM 789 CA LYS A 55 -1.970 -3.238 -9.111 1.00 0.00 C ATOM 790 C LYS A 55 -0.784 -2.371 -8.700 1.00 0.00 C ATOM 791 O LYS A 55 -0.940 -1.395 -7.967 1.00 0.00 O ATOM 792 CB LYS A 55 -2.465 -2.819 -10.497 1.00 0.00 C ATOM 793 CG LYS A 55 -1.678 -3.442 -11.638 1.00 0.00 C ATOM 794 CD LYS A 55 -2.141 -2.916 -12.986 1.00 0.00 C ATOM 795 CE LYS A 55 -3.339 -3.695 -13.507 1.00 0.00 C ATOM 796 NZ LYS A 55 -4.626 -3.109 -13.042 1.00 0.00 N ATOM 0 H LYS A 55 -3.446 -2.201 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.643 -4.277 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.515 -3.095 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.411 -1.733 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.617 -3.229 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.792 -4.526 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.403 -1.862 -12.896 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.323 -2.981 -13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.318 -3.707 -14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.271 -4.731 -13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.172 -3.832 -12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.433 -2.307 -12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.173 -2.778 -13.862 1.00 0.00 H new ATOM 810 N VAL A 56 0.402 -2.735 -9.178 1.00 0.00 N ATOM 811 CA VAL A 56 1.615 -1.990 -8.862 1.00 0.00 C ATOM 812 C VAL A 56 2.516 -1.862 -10.085 1.00 0.00 C ATOM 813 O VAL A 56 3.151 -2.829 -10.504 1.00 0.00 O ATOM 814 CB VAL A 56 2.406 -2.660 -7.723 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.687 -1.892 -7.437 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.548 -2.768 -6.471 1.00 0.00 C ATOM 0 H VAL A 56 0.548 -3.541 -9.785 1.00 0.00 H new ATOM 0 HA VAL A 56 1.301 -0.997 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 56 2.679 -3.667 -8.038 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.232 -2.381 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.307 -1.872 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.441 -0.871 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.122 -3.244 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.243 -1.771 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.663 -3.366 -6.687 1.00 0.00 H new ATOM 826 N ASN A 57 2.567 -0.662 -10.653 1.00 0.00 N ATOM 827 CA ASN A 57 3.391 -0.407 -11.829 1.00 0.00 C ATOM 828 C ASN A 57 3.031 -1.363 -12.963 1.00 0.00 C ATOM 829 O ASN A 57 3.904 -1.848 -13.681 1.00 0.00 O ATOM 830 CB ASN A 57 4.873 -0.548 -11.480 1.00 0.00 C ATOM 831 CG ASN A 57 5.769 0.214 -12.437 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.047 -0.247 -13.544 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.225 1.387 -12.014 1.00 0.00 N ATOM 0 H ASN A 57 2.048 0.149 -10.318 1.00 0.00 H new ATOM 0 HA ASN A 57 3.199 0.613 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.040 -0.187 -10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.147 -1.603 -11.492 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.832 1.945 -12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.969 1.730 -11.088 1.00 0.00 H new ATOM 840 N GLY A 58 1.737 -1.630 -13.117 1.00 0.00 N ATOM 841 CA GLY A 58 1.284 -2.526 -14.165 1.00 0.00 C ATOM 842 C GLY A 58 1.132 -3.954 -13.680 1.00 0.00 C ATOM 843 O GLY A 58 0.237 -4.676 -14.121 1.00 0.00 O ATOM 0 H GLY A 58 0.995 -1.242 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.328 -2.173 -14.553 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.993 -2.500 -14.993 1.00 0.00 H new ATOM 847 N THR A 59 2.010 -4.366 -12.771 1.00 0.00 N ATOM 848 CA THR A 59 1.972 -5.718 -12.228 1.00 0.00 C ATOM 849 C THR A 59 0.841 -5.872 -11.217 1.00 0.00 C ATOM 850 O THR A 59 0.862 -5.259 -10.151 1.00 0.00 O ATOM 851 CB THR A 59 3.305 -6.090 -11.552 1.00 0.00 C ATOM 852 OG1 THR A 59 4.387 -5.917 -12.474 1.00 0.00 O ATOM 853 CG2 THR A 59 3.278 -7.528 -11.059 1.00 0.00 C ATOM 0 H THR A 59 2.757 -3.782 -12.395 1.00 0.00 H new ATOM 0 HA THR A 59 1.800 -6.391 -13.068 1.00 0.00 H new ATOM 0 HB THR A 59 3.449 -5.431 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.161 -6.436 -12.171 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.230 -7.768 -10.585 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.472 -7.650 -10.336 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.113 -8.199 -11.902 1.00 0.00 H new ATOM 861 N MET A 60 -0.144 -6.696 -11.559 1.00 0.00 N ATOM 862 CA MET A 60 -1.282 -6.933 -10.679 1.00 0.00 C ATOM 863 C MET A 60 -0.929 -7.945 -9.594 1.00 0.00 C ATOM 864 O MET A 60 -0.707 -9.122 -9.878 1.00 0.00 O ATOM 865 CB MET A 60 -2.483 -7.429 -11.486 1.00 0.00 C ATOM 866 CG MET A 60 -3.818 -7.183 -10.802 1.00 0.00 C ATOM 867 SD MET A 60 -5.223 -7.626 -11.842 1.00 0.00 S ATOM 868 CE MET A 60 -6.555 -6.786 -10.987 1.00 0.00 C ATOM 0 H MET A 60 -0.177 -7.211 -12.439 1.00 0.00 H new ATOM 0 HA MET A 60 -1.541 -5.989 -10.199 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.486 -6.936 -12.458 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.370 -8.497 -11.671 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.860 -7.759 -9.877 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.892 -6.131 -10.526 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.332 -7.505 -10.728 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.170 -6.325 -10.077 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.975 -6.016 -11.634 1.00 0.00 H new ATOM 878 N VAL A 61 -0.880 -7.480 -8.350 1.00 0.00 N ATOM 879 CA VAL A 61 -0.555 -8.345 -7.223 1.00 0.00 C ATOM 880 C VAL A 61 -1.788 -8.624 -6.370 1.00 0.00 C ATOM 881 O VAL A 61 -1.709 -8.676 -5.142 1.00 0.00 O ATOM 882 CB VAL A 61 0.540 -7.724 -6.335 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.761 -7.363 -7.166 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.002 -6.502 -5.604 1.00 0.00 C ATOM 0 H VAL A 61 -1.061 -6.509 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.186 -9.282 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 61 0.842 -8.461 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.524 -6.926 -6.521 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.157 -8.261 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.479 -6.643 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.788 -6.075 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.328 -5.760 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.840 -6.795 -4.976 1.00 0.00 H new ATOM 894 N THR A 62 -2.928 -8.803 -7.030 1.00 0.00 N ATOM 895 CA THR A 62 -4.179 -9.076 -6.334 1.00 0.00 C ATOM 896 C THR A 62 -4.049 -10.295 -5.427 1.00 0.00 C ATOM 897 O THR A 62 -4.507 -10.282 -4.285 1.00 0.00 O ATOM 898 CB THR A 62 -5.335 -9.309 -7.325 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.973 -10.322 -8.270 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.684 -8.024 -8.061 1.00 0.00 C ATOM 0 H THR A 62 -3.010 -8.764 -8.046 1.00 0.00 H new ATOM 0 HA THR A 62 -4.401 -8.197 -5.728 1.00 0.00 H new ATOM 0 HB THR A 62 -6.209 -9.635 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.714 -10.466 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.503 -8.213 -8.755 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.987 -7.263 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.813 -7.674 -8.614 1.00 0.00 H new ATOM 908 N ASN A 63 -3.422 -11.347 -5.943 1.00 0.00 N ATOM 909 CA ASN A 63 -3.232 -12.574 -5.179 1.00 0.00 C ATOM 910 C ASN A 63 -1.772 -13.018 -5.217 1.00 0.00 C ATOM 911 O ASN A 63 -1.404 -13.911 -5.979 1.00 0.00 O ATOM 912 CB ASN A 63 -4.128 -13.686 -5.729 1.00 0.00 C ATOM 913 CG ASN A 63 -5.551 -13.588 -5.214 1.00 0.00 C ATOM 914 OD1 ASN A 63 -5.781 -13.481 -4.009 1.00 0.00 O ATOM 915 ND2 ASN A 63 -6.515 -13.626 -6.127 1.00 0.00 N ATOM 0 H ASN A 63 -3.037 -11.374 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.506 -12.373 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.134 -13.639 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.711 -14.655 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.492 -13.566 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.278 -13.716 -7.115 1.00 0.00 H new ATOM 922 N SER A 64 -0.947 -12.387 -4.388 1.00 0.00 N ATOM 923 CA SER A 64 0.473 -12.713 -4.328 1.00 0.00 C ATOM 924 C SER A 64 1.032 -12.453 -2.932 1.00 0.00 C ATOM 925 O SER A 64 0.347 -11.902 -2.070 1.00 0.00 O ATOM 926 CB SER A 64 1.250 -11.896 -5.361 1.00 0.00 C ATOM 927 OG SER A 64 0.917 -12.293 -6.680 1.00 0.00 O ATOM 0 H SER A 64 -1.237 -11.647 -3.749 1.00 0.00 H new ATOM 0 HA SER A 64 0.587 -13.773 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.031 -10.836 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.320 -12.023 -5.199 1.00 0.00 H new ATOM 0 HG SER A 64 1.426 -11.755 -7.322 1.00 0.00 H new ATOM 933 N SER A 65 2.281 -12.853 -2.718 1.00 0.00 N ATOM 934 CA SER A 65 2.932 -12.667 -1.426 1.00 0.00 C ATOM 935 C SER A 65 3.477 -11.248 -1.292 1.00 0.00 C ATOM 936 O SER A 65 4.024 -10.688 -2.242 1.00 0.00 O ATOM 937 CB SER A 65 4.066 -13.679 -1.252 1.00 0.00 C ATOM 938 OG SER A 65 4.267 -13.991 0.115 1.00 0.00 O ATOM 0 H SER A 65 2.862 -13.308 -3.422 1.00 0.00 H new ATOM 0 HA SER A 65 2.188 -12.828 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.833 -14.589 -1.805 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.986 -13.275 -1.675 1.00 0.00 H new ATOM 0 HG SER A 65 4.996 -14.641 0.198 1.00 0.00 H new ATOM 944 N HIS A 66 3.322 -10.672 -0.104 1.00 0.00 N ATOM 945 CA HIS A 66 3.798 -9.318 0.157 1.00 0.00 C ATOM 946 C HIS A 66 5.229 -9.139 -0.344 1.00 0.00 C ATOM 947 O HIS A 66 5.481 -8.371 -1.273 1.00 0.00 O ATOM 948 CB HIS A 66 3.726 -9.008 1.652 1.00 0.00 C ATOM 949 CG HIS A 66 4.575 -7.845 2.065 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.276 -7.809 3.252 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.836 -6.673 1.439 1.00 0.00 C ATOM 952 CE1 HIS A 66 5.929 -6.664 3.340 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.679 -5.957 2.252 1.00 0.00 N ATOM 0 H HIS A 66 2.871 -11.121 0.693 1.00 0.00 H new ATOM 0 HA HIS A 66 3.154 -8.623 -0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.690 -8.805 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.035 -9.890 2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.452 -6.360 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.560 -6.358 4.161 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.052 -5.030 2.049 1.00 0.00 H new ATOM 962 N LEU A 67 6.161 -9.852 0.278 1.00 0.00 N ATOM 963 CA LEU A 67 7.567 -9.772 -0.103 1.00 0.00 C ATOM 964 C LEU A 67 7.712 -9.586 -1.610 1.00 0.00 C ATOM 965 O LEU A 67 8.344 -8.635 -2.069 1.00 0.00 O ATOM 966 CB LEU A 67 8.309 -11.034 0.341 1.00 0.00 C ATOM 967 CG LEU A 67 9.791 -11.106 -0.028 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.635 -10.391 1.016 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.235 -12.554 -0.174 1.00 0.00 C ATOM 0 H LEU A 67 5.969 -10.492 1.048 1.00 0.00 H new ATOM 0 HA LEU A 67 8.005 -8.907 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.220 -11.122 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.805 -11.899 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 67 9.932 -10.606 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.687 -10.452 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.335 -9.345 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.489 -10.863 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.292 -12.586 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.079 -13.079 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.652 -13.036 -0.958 1.00 0.00 H new ATOM 981 N GLU A 68 7.122 -10.500 -2.374 1.00 0.00 N ATOM 982 CA GLU A 68 7.185 -10.435 -3.829 1.00 0.00 C ATOM 983 C GLU A 68 6.891 -9.022 -4.324 1.00 0.00 C ATOM 984 O GLU A 68 7.573 -8.507 -5.210 1.00 0.00 O ATOM 985 CB GLU A 68 6.194 -11.421 -4.450 1.00 0.00 C ATOM 986 CG GLU A 68 6.586 -12.877 -4.263 1.00 0.00 C ATOM 987 CD GLU A 68 7.498 -13.382 -5.364 1.00 0.00 C ATOM 988 OE1 GLU A 68 6.995 -13.643 -6.477 1.00 0.00 O ATOM 989 OE2 GLU A 68 8.714 -13.516 -5.113 1.00 0.00 O ATOM 0 H GLU A 68 6.595 -11.294 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 68 8.195 -10.706 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.210 -11.259 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.105 -11.211 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.085 -12.994 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.686 -13.491 -4.232 1.00 0.00 H new ATOM 996 N VAL A 69 5.869 -8.400 -3.745 1.00 0.00 N ATOM 997 CA VAL A 69 5.483 -7.046 -4.126 1.00 0.00 C ATOM 998 C VAL A 69 6.630 -6.066 -3.907 1.00 0.00 C ATOM 999 O VAL A 69 6.910 -5.221 -4.758 1.00 0.00 O ATOM 1000 CB VAL A 69 4.254 -6.568 -3.330 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.884 -5.145 -3.722 1.00 0.00 C ATOM 1002 CG2 VAL A 69 3.081 -7.511 -3.544 1.00 0.00 C ATOM 0 H VAL A 69 5.293 -8.812 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 69 5.231 -7.075 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 69 4.505 -6.573 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.014 -4.825 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.722 -4.480 -3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.651 -5.110 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.222 -7.158 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.827 -7.541 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.353 -8.512 -3.208 1.00 0.00 H new ATOM 1012 N VAL A 70 7.292 -6.184 -2.760 1.00 0.00 N ATOM 1013 CA VAL A 70 8.410 -5.309 -2.429 1.00 0.00 C ATOM 1014 C VAL A 70 9.405 -5.229 -3.582 1.00 0.00 C ATOM 1015 O VAL A 70 9.679 -4.149 -4.106 1.00 0.00 O ATOM 1016 CB VAL A 70 9.145 -5.792 -1.165 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.333 -4.892 -0.860 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.190 -5.846 0.018 1.00 0.00 C ATOM 0 H VAL A 70 7.073 -6.877 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 70 7.993 -4.319 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 70 9.520 -6.799 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.840 -5.249 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.027 -4.909 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.985 -3.872 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.726 -6.189 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.783 -4.852 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.375 -6.536 -0.203 1.00 0.00 H new ATOM 1028 N LYS A 71 9.942 -6.379 -3.974 1.00 0.00 N ATOM 1029 CA LYS A 71 10.906 -6.441 -5.066 1.00 0.00 C ATOM 1030 C LYS A 71 10.468 -5.556 -6.229 1.00 0.00 C ATOM 1031 O LYS A 71 11.258 -4.771 -6.756 1.00 0.00 O ATOM 1032 CB LYS A 71 11.072 -7.885 -5.546 1.00 0.00 C ATOM 1033 CG LYS A 71 12.140 -8.657 -4.790 1.00 0.00 C ATOM 1034 CD LYS A 71 12.194 -10.111 -5.231 1.00 0.00 C ATOM 1035 CE LYS A 71 12.937 -10.972 -4.222 1.00 0.00 C ATOM 1036 NZ LYS A 71 12.182 -11.108 -2.946 1.00 0.00 N ATOM 0 H LYS A 71 9.726 -7.282 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 71 11.863 -6.076 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.119 -8.405 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.321 -7.880 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.111 -8.190 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.937 -8.607 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.181 -10.491 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.685 -10.180 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.112 -11.960 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.914 -10.534 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.525 -11.941 -2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.323 -10.256 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.169 -11.222 -3.152 1.00 0.00 H new ATOM 1050 N LEU A 72 9.206 -5.685 -6.622 1.00 0.00 N ATOM 1051 CA LEU A 72 8.663 -4.895 -7.722 1.00 0.00 C ATOM 1052 C LEU A 72 8.840 -3.403 -7.460 1.00 0.00 C ATOM 1053 O LEU A 72 9.188 -2.641 -8.362 1.00 0.00 O ATOM 1054 CB LEU A 72 7.181 -5.217 -7.924 1.00 0.00 C ATOM 1055 CG LEU A 72 6.869 -6.575 -8.553 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.455 -7.013 -8.205 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.056 -6.519 -10.062 1.00 0.00 C ATOM 0 H LEU A 72 8.539 -6.329 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 72 9.211 -5.153 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.683 -5.165 -6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.743 -4.440 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 72 7.564 -7.310 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.251 -7.982 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.355 -7.094 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.743 -6.278 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.830 -7.494 -10.493 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.385 -5.771 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.088 -6.252 -10.291 1.00 0.00 H new ATOM 1069 N ILE A 73 8.599 -2.993 -6.219 1.00 0.00 N ATOM 1070 CA ILE A 73 8.735 -1.593 -5.837 1.00 0.00 C ATOM 1071 C ILE A 73 10.200 -1.172 -5.806 1.00 0.00 C ATOM 1072 O ILE A 73 10.558 -0.093 -6.280 1.00 0.00 O ATOM 1073 CB ILE A 73 8.104 -1.321 -4.459 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.624 -1.709 -4.466 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.273 0.142 -4.079 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.112 -2.162 -3.116 1.00 0.00 C ATOM 0 H ILE A 73 8.309 -3.611 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 73 8.207 -1.008 -6.590 1.00 0.00 H new ATOM 0 HB ILE A 73 8.616 -1.931 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.035 -0.856 -4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.470 -2.508 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.822 0.319 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.334 0.387 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.784 0.770 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.056 -2.421 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.676 -3.035 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.234 -1.357 -2.392 1.00 0.00 H new ATOM 1088 N LYS A 74 11.045 -2.031 -5.245 1.00 0.00 N ATOM 1089 CA LYS A 74 12.473 -1.751 -5.154 1.00 0.00 C ATOM 1090 C LYS A 74 13.020 -1.268 -6.493 1.00 0.00 C ATOM 1091 O LYS A 74 13.676 -0.229 -6.568 1.00 0.00 O ATOM 1092 CB LYS A 74 13.231 -3.001 -4.702 1.00 0.00 C ATOM 1093 CG LYS A 74 12.991 -3.366 -3.247 1.00 0.00 C ATOM 1094 CD LYS A 74 13.997 -2.690 -2.330 1.00 0.00 C ATOM 1095 CE LYS A 74 13.847 -3.165 -0.893 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.468 -4.502 -0.683 1.00 0.00 N ATOM 0 H LYS A 74 10.765 -2.927 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 74 12.616 -0.960 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.937 -3.841 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.298 -2.844 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.981 -3.074 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.056 -4.447 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.008 -2.899 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.862 -1.609 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.308 -2.441 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.789 -3.211 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.344 -4.790 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.011 -5.199 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.483 -4.452 -0.905 1.00 0.00 H new ATOM 1110 N SER A 75 12.744 -2.027 -7.548 1.00 0.00 N ATOM 1111 CA SER A 75 13.211 -1.678 -8.885 1.00 0.00 C ATOM 1112 C SER A 75 12.377 -0.542 -9.471 1.00 0.00 C ATOM 1113 O SER A 75 11.219 -0.734 -9.841 1.00 0.00 O ATOM 1114 CB SER A 75 13.150 -2.898 -9.805 1.00 0.00 C ATOM 1115 OG SER A 75 13.355 -2.528 -11.157 1.00 0.00 O ATOM 0 H SER A 75 12.199 -2.888 -7.503 1.00 0.00 H new ATOM 0 HA SER A 75 14.246 -1.344 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.907 -3.622 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.182 -3.387 -9.701 1.00 0.00 H new ATOM 0 HG SER A 75 13.313 -3.326 -11.725 1.00 0.00 H new ATOM 1121 N GLY A 76 12.976 0.642 -9.553 1.00 0.00 N ATOM 1122 CA GLY A 76 12.275 1.792 -10.095 1.00 0.00 C ATOM 1123 C GLY A 76 12.221 2.950 -9.120 1.00 0.00 C ATOM 1124 O GLY A 76 11.871 2.773 -7.953 1.00 0.00 O ATOM 0 H GLY A 76 13.934 0.826 -9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.768 2.115 -11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.260 1.501 -10.365 1.00 0.00 H new ATOM 1128 N ALA A 77 12.570 4.141 -9.597 1.00 0.00 N ATOM 1129 CA ALA A 77 12.559 5.333 -8.759 1.00 0.00 C ATOM 1130 C ALA A 77 11.207 5.513 -8.078 1.00 0.00 C ATOM 1131 O ALA A 77 11.135 5.762 -6.874 1.00 0.00 O ATOM 1132 CB ALA A 77 12.904 6.563 -9.586 1.00 0.00 C ATOM 0 H ALA A 77 12.864 4.305 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 77 13.313 5.208 -7.982 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.892 7.446 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.896 6.443 -10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.171 6.682 -10.384 1.00 0.00 H new ATOM 1138 N TYR A 78 10.137 5.386 -8.855 1.00 0.00 N ATOM 1139 CA TYR A 78 8.786 5.538 -8.326 1.00 0.00 C ATOM 1140 C TYR A 78 7.938 4.309 -8.637 1.00 0.00 C ATOM 1141 O TYR A 78 8.267 3.521 -9.525 1.00 0.00 O ATOM 1142 CB TYR A 78 8.126 6.788 -8.910 1.00 0.00 C ATOM 1143 CG TYR A 78 8.363 6.962 -10.393 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.650 6.216 -11.323 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.302 7.872 -10.864 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.864 6.371 -12.679 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.521 8.035 -12.218 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.801 7.282 -13.122 1.00 0.00 C ATOM 1149 OH TYR A 78 9.018 7.441 -14.471 1.00 0.00 O ATOM 0 H TYR A 78 10.179 5.178 -9.853 1.00 0.00 H new ATOM 0 HA TYR A 78 8.856 5.644 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.053 6.742 -8.725 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.502 7.666 -8.385 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.916 5.502 -10.980 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.870 8.462 -10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.301 5.782 -13.388 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.253 8.749 -12.567 1.00 0.00 H new ATOM 0 HH TYR A 78 9.709 8.122 -14.613 1.00 0.00 H new ATOM 1159 N VAL A 79 6.844 4.150 -7.900 1.00 0.00 N ATOM 1160 CA VAL A 79 5.946 3.019 -8.096 1.00 0.00 C ATOM 1161 C VAL A 79 4.492 3.473 -8.149 1.00 0.00 C ATOM 1162 O VAL A 79 4.006 4.141 -7.236 1.00 0.00 O ATOM 1163 CB VAL A 79 6.106 1.974 -6.975 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.745 2.579 -5.627 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.252 0.749 -7.264 1.00 0.00 C ATOM 0 H VAL A 79 6.558 4.791 -7.160 1.00 0.00 H new ATOM 0 HA VAL A 79 6.215 2.563 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 79 7.150 1.661 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.864 1.827 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.402 3.424 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.710 2.921 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.377 0.021 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.204 1.043 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.562 0.304 -8.210 1.00 0.00 H new ATOM 1175 N ALA A 80 3.802 3.107 -9.224 1.00 0.00 N ATOM 1176 CA ALA A 80 2.402 3.475 -9.395 1.00 0.00 C ATOM 1177 C ALA A 80 1.485 2.503 -8.658 1.00 0.00 C ATOM 1178 O ALA A 80 1.319 1.355 -9.072 1.00 0.00 O ATOM 1179 CB ALA A 80 2.045 3.522 -10.873 1.00 0.00 C ATOM 0 H ALA A 80 4.190 2.556 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 80 2.258 4.467 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.997 3.798 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.670 4.260 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.212 2.541 -11.319 1.00 0.00 H new ATOM 1185 N LEU A 81 0.892 2.970 -7.565 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.008 2.142 -6.770 1.00 0.00 C ATOM 1187 C LEU A 81 -1.465 2.440 -7.110 1.00 0.00 C ATOM 1188 O LEU A 81 -1.850 3.597 -7.284 1.00 0.00 O ATOM 1189 CB LEU A 81 0.237 2.375 -5.278 1.00 0.00 C ATOM 1190 CG LEU A 81 1.634 2.024 -4.764 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.781 2.421 -3.304 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.910 0.538 -4.946 1.00 0.00 C ATOM 0 H LEU A 81 1.018 3.918 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 81 0.195 1.098 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.044 3.425 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.492 1.792 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 81 2.366 2.584 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.781 2.163 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.626 3.495 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.041 1.889 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.908 0.305 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.172 -0.040 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.847 0.283 -6.004 1.00 0.00 H new ATOM 1204 N THR A 82 -2.273 1.389 -7.202 1.00 0.00 N ATOM 1205 CA THR A 82 -3.687 1.537 -7.520 1.00 0.00 C ATOM 1206 C THR A 82 -4.550 1.384 -6.273 1.00 0.00 C ATOM 1207 O THR A 82 -4.903 0.271 -5.881 1.00 0.00 O ATOM 1208 CB THR A 82 -4.138 0.505 -8.571 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.240 0.518 -9.686 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.551 0.802 -9.049 1.00 0.00 C ATOM 0 H THR A 82 -1.972 0.425 -7.061 1.00 0.00 H new ATOM 0 HA THR A 82 -3.815 2.540 -7.927 1.00 0.00 H new ATOM 0 HB THR A 82 -4.128 -0.481 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.680 0.118 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.848 0.060 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.237 0.764 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.582 1.795 -9.497 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.888 2.509 -5.652 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.712 2.501 -4.448 1.00 0.00 C ATOM 1220 C LEU A 83 -7.180 2.732 -4.791 1.00 0.00 C ATOM 1221 O LEU A 83 -7.537 3.750 -5.386 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.230 3.573 -3.469 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.715 3.691 -3.296 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.362 4.966 -2.545 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.165 2.472 -2.570 1.00 0.00 C ATOM 0 H LEU A 83 -4.604 3.438 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.618 1.521 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.614 4.538 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.672 3.371 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.257 3.737 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.280 5.033 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.722 5.829 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.830 4.950 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.086 2.573 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.628 2.394 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.386 1.574 -3.147 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.028 1.783 -4.410 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.459 1.884 -4.674 1.00 0.00 C ATOM 1239 C LEU A 84 -10.211 2.348 -3.431 1.00 0.00 C ATOM 1240 O LEU A 84 -10.027 1.805 -2.343 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.007 0.535 -5.142 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.422 0.550 -5.722 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.638 -0.648 -6.634 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.456 0.565 -4.605 1.00 0.00 C ATOM 0 H LEU A 84 -7.749 0.935 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.607 2.623 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.331 0.133 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.989 -0.154 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.542 1.458 -6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.650 -0.620 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.920 -0.616 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.499 -1.568 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.457 0.576 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.337 -0.325 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.316 1.455 -3.991 1.00 0.00 H new