USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -3.49 K(o=-4.8,f=-7.4!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.33 X(o=-4.8,f=-5.2) USER MOD Set 2.1: A 2 SER OG : rot -13:sc= 0.751 USER MOD Set 2.2: A 5 THR OG1 : rot -37:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.362 K(o=-0.36,f=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 0.0882 (180deg=-0.0177) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.141 F(o=-0.87,f=-0.14) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= -0.0079 (180deg=-0.0079) USER MOD Single : A 74 SER OG : rot -135:sc= -1.23 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -132:sc= 0.105 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.369 K(o=-0.37,f=-3) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 0.0238 (180deg=0) USER MOD Single : A 92 SER OG : rot 67:sc= 0.673 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= 0.0133 (180deg=-0.0318) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.268 2.039 -0.818 1.00 0.00 N ATOM 19 CA SER A 2 2.750 3.400 -1.021 1.00 0.00 C ATOM 20 C SER A 2 2.031 4.376 -0.095 1.00 0.00 C ATOM 21 O SER A 2 0.832 4.616 -0.238 1.00 0.00 O ATOM 22 CB SER A 2 2.552 3.821 -2.479 1.00 0.00 C ATOM 23 OG SER A 2 1.661 2.945 -3.146 1.00 0.00 O ATOM 0 HA SER A 2 3.814 3.421 -0.785 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.163 4.839 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.513 3.827 -2.993 1.00 0.00 H new ATOM 0 HG SER A 2 1.518 2.145 -2.598 1.00 0.00 H new ATOM 29 N VAL A 3 2.773 4.936 0.855 1.00 0.00 N ATOM 30 CA VAL A 3 2.208 5.887 1.804 1.00 0.00 C ATOM 31 C VAL A 3 1.815 7.188 1.112 1.00 0.00 C ATOM 32 O VAL A 3 0.853 7.846 1.507 1.00 0.00 O ATOM 33 CB VAL A 3 3.199 6.203 2.940 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.652 7.302 3.837 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.502 4.948 3.746 1.00 0.00 C ATOM 0 H VAL A 3 3.767 4.747 0.988 1.00 0.00 H new ATOM 0 HA VAL A 3 1.318 5.420 2.227 1.00 0.00 H new ATOM 0 HB VAL A 3 4.130 6.558 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.366 7.511 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.490 8.205 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.707 6.979 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.204 5.189 4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.579 4.562 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.941 4.193 3.093 1.00 0.00 H new ATOM 45 N GLU A 4 2.566 7.551 0.077 1.00 0.00 N ATOM 46 CA GLU A 4 2.295 8.774 -0.670 1.00 0.00 C ATOM 47 C GLU A 4 0.941 8.696 -1.369 1.00 0.00 C ATOM 48 O GLU A 4 0.201 9.678 -1.427 1.00 0.00 O ATOM 49 CB GLU A 4 3.399 9.023 -1.700 1.00 0.00 C ATOM 50 CG GLU A 4 4.601 9.763 -1.137 1.00 0.00 C ATOM 51 CD GLU A 4 5.012 10.945 -1.992 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.130 12.061 -1.444 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.216 10.755 -3.209 1.00 0.00 O ATOM 0 H GLU A 4 3.366 7.017 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 4 2.272 9.604 0.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.729 8.066 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.987 9.596 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.370 10.111 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.440 9.073 -1.051 1.00 0.00 H new ATOM 60 N THR A 5 0.623 7.519 -1.901 1.00 0.00 N ATOM 61 CA THR A 5 -0.641 7.312 -2.598 1.00 0.00 C ATOM 62 C THR A 5 -1.820 7.401 -1.636 1.00 0.00 C ATOM 63 O THR A 5 -2.973 7.487 -2.059 1.00 0.00 O ATOM 64 CB THR A 5 -0.673 5.946 -3.307 1.00 0.00 C ATOM 65 OG1 THR A 5 -0.641 4.890 -2.340 1.00 0.00 O ATOM 66 CG2 THR A 5 0.504 5.803 -4.261 1.00 0.00 C ATOM 0 H THR A 5 1.223 6.695 -1.862 1.00 0.00 H new ATOM 0 HA THR A 5 -0.724 8.102 -3.344 1.00 0.00 H new ATOM 0 HB THR A 5 -1.597 5.883 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.059 5.146 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.460 4.830 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.460 6.590 -5.014 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.437 5.887 -3.703 1.00 0.00 H new ATOM 74 N ILE A 6 -1.524 7.380 -0.341 1.00 0.00 N ATOM 75 CA ILE A 6 -2.561 7.459 0.681 1.00 0.00 C ATOM 76 C ILE A 6 -2.931 8.909 0.976 1.00 0.00 C ATOM 77 O ILE A 6 -4.098 9.293 0.882 1.00 0.00 O ATOM 78 CB ILE A 6 -2.116 6.779 1.989 1.00 0.00 C ATOM 79 CG1 ILE A 6 -1.232 5.568 1.684 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.328 6.364 2.809 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.883 4.562 0.760 1.00 0.00 C ATOM 0 H ILE A 6 -0.575 7.309 0.026 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.433 6.936 0.288 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.534 7.492 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.300 5.912 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.971 5.074 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.997 5.885 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.922 7.245 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.934 5.664 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.199 3.731 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.800 4.189 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.119 5.041 -0.190 1.00 0.00 H new ATOM 93 N ILE A 7 -1.932 9.709 1.330 1.00 0.00 N ATOM 94 CA ILE A 7 -2.153 11.117 1.635 1.00 0.00 C ATOM 95 C ILE A 7 -2.685 11.867 0.419 1.00 0.00 C ATOM 96 O ILE A 7 -3.483 12.794 0.550 1.00 0.00 O ATOM 97 CB ILE A 7 -0.859 11.798 2.118 1.00 0.00 C ATOM 98 CG1 ILE A 7 -0.441 11.242 3.481 1.00 0.00 C ATOM 99 CG2 ILE A 7 -1.049 13.306 2.191 1.00 0.00 C ATOM 100 CD1 ILE A 7 -1.377 11.630 4.604 1.00 0.00 C ATOM 0 H ILE A 7 -0.961 9.407 1.413 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.894 11.154 2.434 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.066 11.585 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.390 10.155 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.563 11.596 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.126 13.773 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.304 13.689 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.854 13.538 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.019 11.201 5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.410 12.716 4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.377 11.253 4.391 1.00 0.00 H new ATOM 112 N GLU A 8 -2.239 11.457 -0.764 1.00 0.00 N ATOM 113 CA GLU A 8 -2.672 12.089 -2.005 1.00 0.00 C ATOM 114 C GLU A 8 -4.187 12.272 -2.022 1.00 0.00 C ATOM 115 O GLU A 8 -4.689 13.345 -2.359 1.00 0.00 O ATOM 116 CB GLU A 8 -2.234 11.253 -3.209 1.00 0.00 C ATOM 117 CG GLU A 8 -1.945 12.080 -4.451 1.00 0.00 C ATOM 118 CD GLU A 8 -3.207 12.598 -5.114 1.00 0.00 C ATOM 119 OE1 GLU A 8 -3.135 13.647 -5.787 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.266 11.954 -4.960 1.00 0.00 O ATOM 0 H GLU A 8 -1.578 10.690 -0.889 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.204 13.072 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.341 10.688 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.013 10.527 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.308 12.923 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.387 11.474 -5.165 1.00 0.00 H new ATOM 127 N ARG A 9 -4.908 11.218 -1.657 1.00 0.00 N ATOM 128 CA ARG A 9 -6.365 11.261 -1.632 1.00 0.00 C ATOM 129 C ARG A 9 -6.862 12.283 -0.613 1.00 0.00 C ATOM 130 O ARG A 9 -7.881 12.940 -0.826 1.00 0.00 O ATOM 131 CB ARG A 9 -6.932 9.879 -1.302 1.00 0.00 C ATOM 132 CG ARG A 9 -7.065 8.970 -2.513 1.00 0.00 C ATOM 133 CD ARG A 9 -5.986 7.899 -2.527 1.00 0.00 C ATOM 134 NE ARG A 9 -6.117 7.003 -3.673 1.00 0.00 N ATOM 135 CZ ARG A 9 -5.746 7.329 -4.906 1.00 0.00 C ATOM 136 NH1 ARG A 9 -5.223 8.522 -5.151 1.00 0.00 N ATOM 137 NH2 ARG A 9 -5.898 6.459 -5.897 1.00 0.00 N ATOM 0 H ARG A 9 -4.507 10.324 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.711 11.562 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.288 9.398 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.911 9.999 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.048 8.498 -2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.001 9.565 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.005 8.374 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.039 7.319 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.515 6.077 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.104 9.193 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.939 8.769 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.300 5.540 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.613 6.710 -6.844 1.00 0.00 H new ATOM 151 N ILE A 10 -6.135 12.409 0.492 1.00 0.00 N ATOM 152 CA ILE A 10 -6.502 13.351 1.543 1.00 0.00 C ATOM 153 C ILE A 10 -6.350 14.792 1.067 1.00 0.00 C ATOM 154 O ILE A 10 -7.287 15.586 1.145 1.00 0.00 O ATOM 155 CB ILE A 10 -5.646 13.146 2.806 1.00 0.00 C ATOM 156 CG1 ILE A 10 -6.100 11.893 3.559 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.727 14.370 3.706 1.00 0.00 C ATOM 158 CD1 ILE A 10 -5.104 11.414 4.591 1.00 0.00 C ATOM 0 H ILE A 10 -5.289 11.872 0.683 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.547 13.160 1.788 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.607 13.009 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.050 12.099 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.280 11.093 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.116 14.209 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.360 15.243 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.763 14.536 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.492 10.523 5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.160 11.176 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.942 12.198 5.331 1.00 0.00 H new ATOM 170 N LYS A 11 -5.162 15.123 0.572 1.00 0.00 N ATOM 171 CA LYS A 11 -4.885 16.468 0.081 1.00 0.00 C ATOM 172 C LYS A 11 -5.785 16.810 -1.103 1.00 0.00 C ATOM 173 O LYS A 11 -6.376 17.888 -1.154 1.00 0.00 O ATOM 174 CB LYS A 11 -3.416 16.591 -0.330 1.00 0.00 C ATOM 175 CG LYS A 11 -2.467 15.815 0.567 1.00 0.00 C ATOM 176 CD LYS A 11 -1.024 16.237 0.350 1.00 0.00 C ATOM 177 CE LYS A 11 -0.663 16.252 -1.128 1.00 0.00 C ATOM 178 NZ LYS A 11 0.678 15.655 -1.377 1.00 0.00 N ATOM 0 H LYS A 11 -4.375 14.478 0.500 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.090 17.172 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.303 16.239 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.132 17.643 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.740 15.973 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.569 14.748 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.866 17.229 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.361 15.554 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.416 15.701 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.678 17.278 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.887 15.684 -2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.400 16.196 -0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.685 14.668 -1.050 1.00 0.00 H new ATOM 192 N ALA A 12 -5.885 15.884 -2.051 1.00 0.00 N ATOM 193 CA ALA A 12 -6.715 16.087 -3.232 1.00 0.00 C ATOM 194 C ALA A 12 -8.129 16.507 -2.844 1.00 0.00 C ATOM 195 O ALA A 12 -8.726 17.375 -3.481 1.00 0.00 O ATOM 196 CB ALA A 12 -6.752 14.821 -4.075 1.00 0.00 C ATOM 0 H ALA A 12 -5.402 14.986 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.274 16.891 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.375 14.987 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.741 14.564 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.166 14.003 -3.485 1.00 0.00 H new ATOM 202 N ARG A 13 -8.658 15.886 -1.795 1.00 0.00 N ATOM 203 CA ARG A 13 -10.003 16.194 -1.323 1.00 0.00 C ATOM 204 C ARG A 13 -10.003 17.461 -0.473 1.00 0.00 C ATOM 205 O ARG A 13 -10.995 18.190 -0.426 1.00 0.00 O ATOM 206 CB ARG A 13 -10.563 15.023 -0.513 1.00 0.00 C ATOM 207 CG ARG A 13 -11.019 13.853 -1.370 1.00 0.00 C ATOM 208 CD ARG A 13 -12.531 13.841 -1.537 1.00 0.00 C ATOM 209 NE ARG A 13 -13.083 12.494 -1.420 1.00 0.00 N ATOM 210 CZ ARG A 13 -14.337 12.184 -1.731 1.00 0.00 C ATOM 211 NH1 ARG A 13 -15.164 13.120 -2.176 1.00 0.00 N ATOM 212 NH2 ARG A 13 -14.765 10.936 -1.598 1.00 0.00 N ATOM 0 H ARG A 13 -8.176 15.167 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.638 16.361 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.800 14.676 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.404 15.375 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.544 13.911 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.695 12.918 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.984 14.485 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.792 14.256 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.472 11.751 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.838 14.081 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.126 12.879 -2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.131 10.213 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.728 10.699 -1.837 1.00 0.00 H new ATOM 226 N VAL A 14 -8.885 17.717 0.199 1.00 0.00 N ATOM 227 CA VAL A 14 -8.756 18.896 1.047 1.00 0.00 C ATOM 228 C VAL A 14 -8.785 20.175 0.218 1.00 0.00 C ATOM 229 O VAL A 14 -9.365 21.180 0.628 1.00 0.00 O ATOM 230 CB VAL A 14 -7.452 18.858 1.866 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.214 20.193 2.554 1.00 0.00 C ATOM 232 CG2 VAL A 14 -7.495 17.726 2.882 1.00 0.00 C ATOM 0 H VAL A 14 -8.056 17.124 0.173 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.606 18.889 1.730 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.621 18.674 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.288 20.147 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.137 20.980 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.046 20.410 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.566 17.713 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.335 17.877 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.615 16.775 2.363 1.00 0.00 H new ATOM 242 N GLY A 15 -8.155 20.131 -0.952 1.00 0.00 N ATOM 243 CA GLY A 15 -8.120 21.293 -1.821 1.00 0.00 C ATOM 244 C GLY A 15 -9.445 21.535 -2.517 1.00 0.00 C ATOM 245 O GLY A 15 -9.637 22.568 -3.158 1.00 0.00 O ATOM 0 H GLY A 15 -7.668 19.311 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.854 22.173 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.339 21.160 -2.569 1.00 0.00 H new ATOM 249 N ALA A 16 -10.361 20.580 -2.392 1.00 0.00 N ATOM 250 CA ALA A 16 -11.674 20.696 -3.014 1.00 0.00 C ATOM 251 C ALA A 16 -12.772 20.807 -1.962 1.00 0.00 C ATOM 252 O ALA A 16 -13.842 21.356 -2.222 1.00 0.00 O ATOM 253 CB ALA A 16 -11.932 19.505 -3.926 1.00 0.00 C ATOM 0 H ALA A 16 -10.218 19.718 -1.866 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.687 21.607 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.916 19.604 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.171 19.472 -4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.894 18.585 -3.343 1.00 0.00 H new ATOM 398 N LEU A 26 -12.603 20.848 13.411 1.00 0.00 N ATOM 399 CA LEU A 26 -11.630 21.928 13.529 1.00 0.00 C ATOM 400 C LEU A 26 -10.508 21.547 14.489 1.00 0.00 C ATOM 401 O LEU A 26 -10.733 21.374 15.686 1.00 0.00 O ATOM 402 CB LEU A 26 -12.315 23.208 14.010 1.00 0.00 C ATOM 403 CG LEU A 26 -12.981 23.137 15.385 1.00 0.00 C ATOM 404 CD1 LEU A 26 -12.344 24.136 16.339 1.00 0.00 C ATOM 405 CD2 LEU A 26 -14.477 23.390 15.266 1.00 0.00 C ATOM 0 HA LEU A 26 -11.197 22.103 12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.575 24.008 14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.071 23.490 13.277 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.833 22.135 15.788 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.831 24.071 17.312 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.283 23.910 16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.461 25.144 15.941 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.935 23.336 16.254 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.646 24.380 14.842 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.923 22.636 14.617 1.00 0.00 H new ATOM 417 N GLY A 27 -9.297 21.420 13.956 1.00 0.00 N ATOM 418 CA GLY A 27 -8.157 21.062 14.779 1.00 0.00 C ATOM 419 C GLY A 27 -7.149 20.208 14.036 1.00 0.00 C ATOM 420 O GLY A 27 -7.509 19.204 13.421 1.00 0.00 O ATOM 0 H GLY A 27 -9.085 21.559 12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.669 21.970 15.132 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.504 20.524 15.661 1.00 0.00 H new ATOM 424 N VAL A 28 -5.882 20.607 14.090 1.00 0.00 N ATOM 425 CA VAL A 28 -4.819 19.871 13.416 1.00 0.00 C ATOM 426 C VAL A 28 -4.687 18.459 13.976 1.00 0.00 C ATOM 427 O VAL A 28 -4.939 18.223 15.158 1.00 0.00 O ATOM 428 CB VAL A 28 -3.466 20.593 13.549 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.446 19.997 12.590 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.632 22.085 13.304 1.00 0.00 C ATOM 0 H VAL A 28 -5.567 21.436 14.594 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.091 19.816 12.362 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.098 20.454 14.566 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.496 20.520 12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.307 18.940 12.818 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.804 20.103 11.566 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.666 22.580 13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.023 22.248 12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.327 22.499 14.035 1.00 0.00 H new ATOM 440 N PHE A 29 -4.291 17.524 13.121 1.00 0.00 N ATOM 441 CA PHE A 29 -4.125 16.134 13.530 1.00 0.00 C ATOM 442 C PHE A 29 -2.761 15.600 13.104 1.00 0.00 C ATOM 443 O PHE A 29 -2.207 16.024 12.090 1.00 0.00 O ATOM 444 CB PHE A 29 -5.234 15.268 12.930 1.00 0.00 C ATOM 445 CG PHE A 29 -6.410 15.080 13.846 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.082 16.174 14.365 1.00 0.00 C ATOM 447 CD2 PHE A 29 -6.842 13.808 14.187 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.165 16.005 15.208 1.00 0.00 C ATOM 449 CE2 PHE A 29 -7.924 13.633 15.029 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.585 14.732 15.541 1.00 0.00 C ATOM 0 H PHE A 29 -4.079 17.703 12.140 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.188 16.092 14.617 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.577 15.723 12.001 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.823 14.291 12.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.756 17.171 14.108 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.328 12.945 13.791 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.681 16.866 15.605 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.252 12.637 15.286 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.429 14.596 16.201 1.00 0.00 H new ATOM 460 N GLN A 30 -2.226 14.668 13.886 1.00 0.00 N ATOM 461 CA GLN A 30 -0.926 14.077 13.590 1.00 0.00 C ATOM 462 C GLN A 30 -1.073 12.614 13.184 1.00 0.00 C ATOM 463 O GLN A 30 -1.242 11.738 14.033 1.00 0.00 O ATOM 464 CB GLN A 30 -0.002 14.192 14.804 1.00 0.00 C ATOM 465 CG GLN A 30 1.457 13.908 14.487 1.00 0.00 C ATOM 466 CD GLN A 30 1.936 14.633 13.244 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.617 15.803 13.032 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.707 13.940 12.414 1.00 0.00 N ATOM 0 H GLN A 30 -2.672 14.306 14.729 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.487 14.624 12.755 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.086 15.196 15.220 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.340 13.498 15.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.074 14.204 15.336 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.593 12.835 14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.947 12.972 12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.059 14.376 11.562 1.00 0.00 H new ATOM 477 N LEU A 31 -1.007 12.357 11.883 1.00 0.00 N ATOM 478 CA LEU A 31 -1.133 11.000 11.364 1.00 0.00 C ATOM 479 C LEU A 31 0.210 10.278 11.395 1.00 0.00 C ATOM 480 O LEU A 31 1.259 10.890 11.199 1.00 0.00 O ATOM 481 CB LEU A 31 -1.676 11.028 9.934 1.00 0.00 C ATOM 482 CG LEU A 31 -3.190 10.873 9.788 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.614 9.448 10.107 1.00 0.00 C ATOM 484 CD2 LEU A 31 -3.917 11.862 10.688 1.00 0.00 C ATOM 0 H LEU A 31 -0.867 13.071 11.168 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.831 10.458 12.001 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.381 11.971 9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.193 10.232 9.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.460 11.088 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.695 9.357 9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.121 8.759 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.331 9.205 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.993 11.737 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.641 11.679 11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.637 12.879 10.412 1.00 0.00 H new ATOM 496 N ASN A 32 0.169 8.973 11.642 1.00 0.00 N ATOM 497 CA ASN A 32 1.383 8.167 11.698 1.00 0.00 C ATOM 498 C ASN A 32 1.132 6.766 11.147 1.00 0.00 C ATOM 499 O ASN A 32 0.208 6.075 11.579 1.00 0.00 O ATOM 500 CB ASN A 32 1.895 8.077 13.137 1.00 0.00 C ATOM 501 CG ASN A 32 1.460 9.260 13.980 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.782 10.407 13.673 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.723 8.984 15.050 1.00 0.00 N ATOM 0 H ASN A 32 -0.692 8.451 11.807 1.00 0.00 H new ATOM 0 HA ASN A 32 2.139 8.651 11.080 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.531 7.156 13.592 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.983 8.020 13.130 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.400 9.739 15.655 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.480 8.017 15.266 1.00 0.00 H new ATOM 510 N ILE A 33 1.960 6.354 10.194 1.00 0.00 N ATOM 511 CA ILE A 33 1.829 5.035 9.586 1.00 0.00 C ATOM 512 C ILE A 33 2.717 4.015 10.289 1.00 0.00 C ATOM 513 O ILE A 33 3.652 4.377 11.004 1.00 0.00 O ATOM 514 CB ILE A 33 2.188 5.067 8.089 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.753 6.395 7.466 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.540 3.897 7.364 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.274 6.677 7.617 1.00 0.00 C ATOM 0 H ILE A 33 2.729 6.914 9.826 1.00 0.00 H new ATOM 0 HA ILE A 33 0.785 4.740 9.694 1.00 0.00 H new ATOM 0 HB ILE A 33 3.270 4.977 7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.318 7.205 7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.008 6.391 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.803 3.933 6.307 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.895 2.961 7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.457 3.958 7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.037 7.634 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.299 5.886 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.017 6.714 8.676 1.00 0.00 H new ATOM 529 N LYS A 34 2.421 2.737 10.080 1.00 0.00 N ATOM 530 CA LYS A 34 3.194 1.662 10.690 1.00 0.00 C ATOM 531 C LYS A 34 3.863 0.800 9.624 1.00 0.00 C ATOM 532 O LYS A 34 3.201 0.036 8.922 1.00 0.00 O ATOM 533 CB LYS A 34 2.292 0.793 11.571 1.00 0.00 C ATOM 534 CG LYS A 34 2.876 -0.575 11.876 1.00 0.00 C ATOM 535 CD LYS A 34 2.593 -0.995 13.309 1.00 0.00 C ATOM 536 CE LYS A 34 3.010 -2.436 13.560 1.00 0.00 C ATOM 537 NZ LYS A 34 2.859 -2.815 14.992 1.00 0.00 N ATOM 0 H LYS A 34 1.650 2.420 9.492 1.00 0.00 H new ATOM 0 HA LYS A 34 3.970 2.113 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.102 1.315 12.509 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.329 0.666 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.457 -1.312 11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.953 -0.558 11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.126 -0.336 13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.530 -0.881 13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.407 -3.102 12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.048 -2.572 13.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.153 -3.804 15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.454 -2.197 15.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.864 -2.710 15.276 1.00 0.00 H new ATOM 551 N THR A 35 5.182 0.926 9.509 1.00 0.00 N ATOM 552 CA THR A 35 5.941 0.159 8.530 1.00 0.00 C ATOM 553 C THR A 35 7.182 -0.463 9.160 1.00 0.00 C ATOM 554 O THR A 35 7.567 -0.109 10.274 1.00 0.00 O ATOM 555 CB THR A 35 6.369 1.037 7.339 1.00 0.00 C ATOM 556 OG1 THR A 35 7.020 0.234 6.348 1.00 0.00 O ATOM 557 CG2 THR A 35 7.305 2.147 7.793 1.00 0.00 C ATOM 0 H THR A 35 5.746 1.553 10.083 1.00 0.00 H new ATOM 0 HA THR A 35 5.284 -0.633 8.171 1.00 0.00 H new ATOM 0 HB THR A 35 5.475 1.490 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.288 0.799 5.593 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.593 2.754 6.935 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.797 2.774 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.196 1.710 8.244 1.00 0.00 H new ATOM 565 N ALA A 36 7.803 -1.391 8.440 1.00 0.00 N ATOM 566 CA ALA A 36 9.002 -2.060 8.929 1.00 0.00 C ATOM 567 C ALA A 36 10.180 -1.094 9.001 1.00 0.00 C ATOM 568 O ALA A 36 11.130 -1.314 9.752 1.00 0.00 O ATOM 569 CB ALA A 36 9.345 -3.246 8.039 1.00 0.00 C ATOM 0 H ALA A 36 7.496 -1.697 7.517 1.00 0.00 H new ATOM 0 HA ALA A 36 8.800 -2.422 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.243 -3.736 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.516 -3.954 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.522 -2.898 7.021 1.00 0.00 H new ATOM 575 N SER A 37 10.110 -0.024 8.216 1.00 0.00 N ATOM 576 CA SER A 37 11.172 0.974 8.188 1.00 0.00 C ATOM 577 C SER A 37 11.021 1.962 9.341 1.00 0.00 C ATOM 578 O SER A 37 11.965 2.665 9.700 1.00 0.00 O ATOM 579 CB SER A 37 11.162 1.724 6.854 1.00 0.00 C ATOM 580 OG SER A 37 12.478 1.912 6.364 1.00 0.00 O ATOM 0 H SER A 37 9.329 0.174 7.591 1.00 0.00 H new ATOM 0 HA SER A 37 12.125 0.457 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.575 1.166 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.676 2.692 6.981 1.00 0.00 H new ATOM 0 HG SER A 37 12.444 2.392 5.510 1.00 0.00 H new ATOM 586 N GLY A 38 9.823 2.010 9.918 1.00 0.00 N ATOM 587 CA GLY A 38 9.568 2.914 11.024 1.00 0.00 C ATOM 588 C GLY A 38 8.124 3.372 11.077 1.00 0.00 C ATOM 589 O GLY A 38 7.206 2.552 11.112 1.00 0.00 O ATOM 0 H GLY A 38 9.025 1.439 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.823 2.418 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.219 3.784 10.936 1.00 0.00 H new ATOM 593 N VAL A 39 7.921 4.685 11.084 1.00 0.00 N ATOM 594 CA VAL A 39 6.578 5.251 11.135 1.00 0.00 C ATOM 595 C VAL A 39 6.511 6.575 10.381 1.00 0.00 C ATOM 596 O VAL A 39 7.139 7.557 10.775 1.00 0.00 O ATOM 597 CB VAL A 39 6.118 5.477 12.587 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.921 6.414 12.629 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.790 4.149 13.254 1.00 0.00 C ATOM 0 H VAL A 39 8.669 5.377 11.055 1.00 0.00 H new ATOM 0 HA VAL A 39 5.913 4.530 10.659 1.00 0.00 H new ATOM 0 HB VAL A 39 6.933 5.944 13.140 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.610 6.561 13.663 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.195 7.374 12.192 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.098 5.979 12.062 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.467 4.327 14.280 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.991 3.652 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.677 3.515 13.258 1.00 0.00 H new ATOM 609 N GLU A 40 5.745 6.592 9.295 1.00 0.00 N ATOM 610 CA GLU A 40 5.596 7.796 8.485 1.00 0.00 C ATOM 611 C GLU A 40 4.647 8.787 9.153 1.00 0.00 C ATOM 612 O GLU A 40 3.447 8.537 9.259 1.00 0.00 O ATOM 613 CB GLU A 40 5.079 7.439 7.090 1.00 0.00 C ATOM 614 CG GLU A 40 6.156 6.911 6.158 1.00 0.00 C ATOM 615 CD GLU A 40 5.996 5.433 5.859 1.00 0.00 C ATOM 616 OE1 GLU A 40 5.427 4.715 6.707 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.439 4.995 4.777 1.00 0.00 O ATOM 0 H GLU A 40 5.218 5.787 8.956 1.00 0.00 H new ATOM 0 HA GLU A 40 6.576 8.264 8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.293 6.690 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.625 8.323 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.129 7.472 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.135 7.083 6.605 1.00 0.00 H new ATOM 624 N GLN A 41 5.195 9.912 9.602 1.00 0.00 N ATOM 625 CA GLN A 41 4.398 10.939 10.261 1.00 0.00 C ATOM 626 C GLN A 41 3.901 11.972 9.254 1.00 0.00 C ATOM 627 O GLN A 41 4.643 12.396 8.368 1.00 0.00 O ATOM 628 CB GLN A 41 5.218 11.628 11.353 1.00 0.00 C ATOM 629 CG GLN A 41 6.037 10.666 12.198 1.00 0.00 C ATOM 630 CD GLN A 41 5.677 10.729 13.669 1.00 0.00 C ATOM 631 OE1 GLN A 41 6.453 11.219 14.490 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.493 10.232 14.011 1.00 0.00 N ATOM 0 H GLN A 41 6.187 10.135 9.521 1.00 0.00 H new ATOM 0 HA GLN A 41 3.533 10.456 10.716 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.888 12.352 10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.545 12.187 12.003 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.886 9.650 11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.096 10.894 12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.881 9.835 13.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.196 10.247 14.987 1.00 0.00 H new ATOM 641 N TRP A 42 2.643 12.371 9.396 1.00 0.00 N ATOM 642 CA TRP A 42 2.047 13.354 8.498 1.00 0.00 C ATOM 643 C TRP A 42 1.260 14.400 9.281 1.00 0.00 C ATOM 644 O TRP A 42 0.740 14.119 10.361 1.00 0.00 O ATOM 645 CB TRP A 42 1.132 12.662 7.487 1.00 0.00 C ATOM 646 CG TRP A 42 1.874 12.036 6.345 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.239 10.726 6.224 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.345 12.696 5.164 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.907 10.531 5.039 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.984 11.724 4.371 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.286 14.013 4.700 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.561 12.030 3.141 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.859 14.315 3.479 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.489 13.327 2.710 1.00 0.00 C ATOM 0 H TRP A 42 2.015 12.030 10.124 1.00 0.00 H new ATOM 0 HA TRP A 42 2.853 13.857 7.964 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.552 11.894 7.999 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.421 13.389 7.094 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.033 9.956 6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.284 9.642 4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.801 14.781 5.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.048 11.270 2.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.821 15.330 3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.926 13.594 1.759 1.00 0.00 H new ATOM 665 N ILE A 43 1.177 15.606 8.730 1.00 0.00 N ATOM 666 CA ILE A 43 0.453 16.693 9.377 1.00 0.00 C ATOM 667 C ILE A 43 -0.766 17.105 8.558 1.00 0.00 C ATOM 668 O ILE A 43 -0.672 17.319 7.349 1.00 0.00 O ATOM 669 CB ILE A 43 1.355 17.923 9.588 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.587 17.544 10.412 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.577 19.039 10.270 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.851 18.245 9.967 1.00 0.00 C ATOM 0 H ILE A 43 1.602 15.855 7.837 1.00 0.00 H new ATOM 0 HA ILE A 43 0.127 16.321 10.348 1.00 0.00 H new ATOM 0 HB ILE A 43 1.689 18.282 8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.400 17.780 11.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.738 16.466 10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.228 19.902 10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.272 19.323 9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.217 18.692 11.239 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.683 17.928 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.063 17.989 8.929 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.719 19.323 10.056 1.00 0.00 H new ATOM 684 N VAL A 44 -1.910 17.215 9.226 1.00 0.00 N ATOM 685 CA VAL A 44 -3.148 17.605 8.561 1.00 0.00 C ATOM 686 C VAL A 44 -3.897 18.660 9.368 1.00 0.00 C ATOM 687 O VAL A 44 -3.991 18.569 10.592 1.00 0.00 O ATOM 688 CB VAL A 44 -4.072 16.392 8.341 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.873 16.094 9.599 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.996 16.635 7.157 1.00 0.00 C ATOM 0 H VAL A 44 -2.005 17.040 10.226 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.870 18.022 7.593 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.453 15.522 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.519 15.234 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.191 15.874 10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.483 16.960 9.856 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.642 15.768 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.608 17.516 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.401 16.795 6.258 1.00 0.00 H new ATOM 700 N ASP A 45 -4.428 19.660 8.674 1.00 0.00 N ATOM 701 CA ASP A 45 -5.170 20.734 9.325 1.00 0.00 C ATOM 702 C ASP A 45 -6.649 20.674 8.956 1.00 0.00 C ATOM 703 O ASP A 45 -7.030 20.979 7.825 1.00 0.00 O ATOM 704 CB ASP A 45 -4.589 22.094 8.936 1.00 0.00 C ATOM 705 CG ASP A 45 -4.690 23.109 10.057 1.00 0.00 C ATOM 706 OD1 ASP A 45 -5.757 23.175 10.703 1.00 0.00 O ATOM 707 OD2 ASP A 45 -3.703 23.837 10.289 1.00 0.00 O ATOM 0 H ASP A 45 -4.359 19.750 7.660 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.077 20.604 10.403 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.543 21.972 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.114 22.472 8.059 1.00 0.00 H new ATOM 712 N LEU A 46 -7.477 20.277 9.916 1.00 0.00 N ATOM 713 CA LEU A 46 -8.915 20.175 9.692 1.00 0.00 C ATOM 714 C LEU A 46 -9.520 21.547 9.411 1.00 0.00 C ATOM 715 O LEU A 46 -10.168 21.753 8.384 1.00 0.00 O ATOM 716 CB LEU A 46 -9.597 19.543 10.906 1.00 0.00 C ATOM 717 CG LEU A 46 -9.528 18.018 10.997 1.00 0.00 C ATOM 718 CD1 LEU A 46 -8.082 17.547 10.968 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.226 17.527 12.257 1.00 0.00 C ATOM 0 H LEU A 46 -7.178 20.021 10.857 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.078 19.540 8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.149 19.961 11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.646 19.840 10.904 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.043 17.597 10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.052 16.459 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.614 17.867 10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.542 17.976 11.812 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.167 16.440 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.740 17.956 13.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.272 17.833 12.236 1.00 0.00 H new ATOM 731 N LYS A 47 -9.304 22.483 10.329 1.00 0.00 N ATOM 732 CA LYS A 47 -9.824 23.836 10.179 1.00 0.00 C ATOM 733 C LYS A 47 -9.650 24.331 8.747 1.00 0.00 C ATOM 734 O LYS A 47 -10.629 24.576 8.043 1.00 0.00 O ATOM 735 CB LYS A 47 -9.117 24.787 11.148 1.00 0.00 C ATOM 736 CG LYS A 47 -9.010 24.244 12.563 1.00 0.00 C ATOM 737 CD LYS A 47 -9.374 25.300 13.594 1.00 0.00 C ATOM 738 CE LYS A 47 -8.155 26.100 14.026 1.00 0.00 C ATOM 739 NZ LYS A 47 -8.352 26.737 15.357 1.00 0.00 N ATOM 0 H LYS A 47 -8.772 22.329 11.185 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.889 23.816 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.116 24.998 10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.655 25.735 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.669 23.383 12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.994 23.893 12.743 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.124 25.973 13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.823 24.821 14.464 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.285 25.444 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.944 26.869 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.499 27.273 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.167 27.382 15.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.528 26.002 16.071 1.00 0.00 H new ATOM 753 N GLN A 48 -8.399 24.476 8.324 1.00 0.00 N ATOM 754 CA GLN A 48 -8.098 24.941 6.975 1.00 0.00 C ATOM 755 C GLN A 48 -8.018 23.770 6.001 1.00 0.00 C ATOM 756 O GLN A 48 -8.378 22.642 6.339 1.00 0.00 O ATOM 757 CB GLN A 48 -6.782 25.720 6.963 1.00 0.00 C ATOM 758 CG GLN A 48 -6.709 26.808 8.023 1.00 0.00 C ATOM 759 CD GLN A 48 -5.584 27.792 7.773 1.00 0.00 C ATOM 760 OE1 GLN A 48 -5.701 28.685 6.933 1.00 0.00 O ATOM 761 NE2 GLN A 48 -4.486 27.635 8.502 1.00 0.00 N ATOM 0 H GLN A 48 -7.577 24.278 8.895 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.905 25.601 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.956 25.024 7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.646 26.172 5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.657 27.346 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.573 26.348 9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.432 26.881 9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.696 28.268 8.377 1.00 0.00 H new ATOM 770 N LEU A 49 -7.545 24.046 4.790 1.00 0.00 N ATOM 771 CA LEU A 49 -7.418 23.016 3.765 1.00 0.00 C ATOM 772 C LEU A 49 -5.979 22.914 3.270 1.00 0.00 C ATOM 773 O LEU A 49 -5.653 23.375 2.176 1.00 0.00 O ATOM 774 CB LEU A 49 -8.353 23.317 2.593 1.00 0.00 C ATOM 775 CG LEU A 49 -9.851 23.217 2.885 1.00 0.00 C ATOM 776 CD1 LEU A 49 -10.184 21.872 3.512 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.294 24.355 3.793 1.00 0.00 C ATOM 0 H LEU A 49 -7.243 24.974 4.494 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.698 22.061 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.140 24.324 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.115 22.631 1.780 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.392 23.299 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.254 21.819 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.903 21.072 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.634 21.760 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.362 24.268 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.746 24.304 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.091 25.309 3.306 1.00 0.00 H new ATOM 789 N LYS A 50 -5.121 22.306 4.083 1.00 0.00 N ATOM 790 CA LYS A 50 -3.717 22.140 3.727 1.00 0.00 C ATOM 791 C LYS A 50 -3.171 20.823 4.268 1.00 0.00 C ATOM 792 O LYS A 50 -3.797 20.179 5.109 1.00 0.00 O ATOM 793 CB LYS A 50 -2.890 23.309 4.270 1.00 0.00 C ATOM 794 CG LYS A 50 -2.944 23.440 5.782 1.00 0.00 C ATOM 795 CD LYS A 50 -1.807 22.684 6.448 1.00 0.00 C ATOM 796 CE LYS A 50 -0.806 23.632 7.090 1.00 0.00 C ATOM 797 NZ LYS A 50 -1.368 24.297 8.299 1.00 0.00 N ATOM 0 H LYS A 50 -5.374 21.920 4.993 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.643 22.125 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.852 23.184 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.247 24.236 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.893 24.493 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.898 23.060 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.210 22.012 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.300 22.064 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.093 23.080 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.506 24.389 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.632 24.366 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.698 25.251 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.166 23.739 8.663 1.00 0.00 H new ATOM 811 N VAL A 51 -1.998 20.429 3.780 1.00 0.00 N ATOM 812 CA VAL A 51 -1.367 19.189 4.217 1.00 0.00 C ATOM 813 C VAL A 51 0.152 19.322 4.232 1.00 0.00 C ATOM 814 O VAL A 51 0.741 19.927 3.336 1.00 0.00 O ATOM 815 CB VAL A 51 -1.759 18.009 3.308 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.826 16.829 3.533 1.00 0.00 C ATOM 817 CG2 VAL A 51 -3.206 17.609 3.551 1.00 0.00 C ATOM 0 H VAL A 51 -1.466 20.950 3.083 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.722 18.992 5.229 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.662 18.325 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.118 16.005 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.198 17.126 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.888 16.509 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.467 16.774 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.331 17.311 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.859 18.455 3.335 1.00 0.00 H new ATOM 827 N ASP A 52 0.780 18.752 5.255 1.00 0.00 N ATOM 828 CA ASP A 52 2.231 18.805 5.386 1.00 0.00 C ATOM 829 C ASP A 52 2.783 17.465 5.864 1.00 0.00 C ATOM 830 O ASP A 52 2.055 16.651 6.431 1.00 0.00 O ATOM 831 CB ASP A 52 2.636 19.914 6.359 1.00 0.00 C ATOM 832 CG ASP A 52 1.634 21.051 6.391 1.00 0.00 C ATOM 833 OD1 ASP A 52 0.549 20.869 6.984 1.00 0.00 O ATOM 834 OD2 ASP A 52 1.934 22.122 5.824 1.00 0.00 O ATOM 0 H ASP A 52 0.307 18.248 6.005 1.00 0.00 H new ATOM 0 HA ASP A 52 2.652 19.022 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.738 19.495 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.614 20.303 6.075 1.00 0.00 H new ATOM 839 N GLN A 53 4.072 17.245 5.630 1.00 0.00 N ATOM 840 CA GLN A 53 4.720 16.003 6.035 1.00 0.00 C ATOM 841 C GLN A 53 5.606 16.224 7.257 1.00 0.00 C ATOM 842 O GLN A 53 6.281 17.247 7.369 1.00 0.00 O ATOM 843 CB GLN A 53 5.552 15.438 4.883 1.00 0.00 C ATOM 844 CG GLN A 53 5.792 13.940 4.983 1.00 0.00 C ATOM 845 CD GLN A 53 6.710 13.421 3.894 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.482 13.869 2.664 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 7.615 12.628 4.154 1.00 0.00 N flip ATOM 0 H GLN A 53 4.688 17.910 5.162 1.00 0.00 H new ATOM 0 HA GLN A 53 3.942 15.286 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.048 15.655 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.514 15.950 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.224 13.710 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.837 13.418 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.754 12.310 5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.225 12.289 3.410 1.00 0.00 H new ATOM 856 N GLY A 54 5.597 15.259 8.171 1.00 0.00 N ATOM 857 CA GLY A 54 6.403 15.368 9.373 1.00 0.00 C ATOM 858 C GLY A 54 5.561 15.429 10.632 1.00 0.00 C ATOM 859 O GLY A 54 4.424 14.959 10.650 1.00 0.00 O ATOM 0 H GLY A 54 5.046 14.404 8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.079 14.515 9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.023 16.262 9.311 1.00 0.00 H new ATOM 863 N VAL A 55 6.122 16.008 11.689 1.00 0.00 N ATOM 864 CA VAL A 55 5.415 16.128 12.959 1.00 0.00 C ATOM 865 C VAL A 55 5.107 17.586 13.281 1.00 0.00 C ATOM 866 O VAL A 55 6.012 18.415 13.382 1.00 0.00 O ATOM 867 CB VAL A 55 6.231 15.520 14.115 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.565 15.812 15.451 1.00 0.00 C ATOM 869 CG2 VAL A 55 6.406 14.022 13.913 1.00 0.00 C ATOM 0 H VAL A 55 7.063 16.401 11.691 1.00 0.00 H new ATOM 0 HA VAL A 55 4.480 15.577 12.854 1.00 0.00 H new ATOM 0 HB VAL A 55 7.219 15.981 14.121 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.156 15.374 16.256 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.497 16.890 15.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.564 15.381 15.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.985 13.609 14.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.428 13.543 13.880 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.931 13.840 12.975 1.00 0.00 H new ATOM 879 N PHE A 56 3.824 17.892 13.441 1.00 0.00 N ATOM 880 CA PHE A 56 3.396 19.251 13.752 1.00 0.00 C ATOM 881 C PHE A 56 4.015 19.731 15.061 1.00 0.00 C ATOM 882 O PHE A 56 4.183 18.955 16.001 1.00 0.00 O ATOM 883 CB PHE A 56 1.870 19.320 13.840 1.00 0.00 C ATOM 884 CG PHE A 56 1.316 20.693 13.587 1.00 0.00 C ATOM 885 CD1 PHE A 56 0.405 21.259 14.464 1.00 0.00 C ATOM 886 CD2 PHE A 56 1.706 21.417 12.472 1.00 0.00 C ATOM 887 CE1 PHE A 56 -0.107 22.523 14.235 1.00 0.00 C ATOM 888 CE2 PHE A 56 1.198 22.681 12.238 1.00 0.00 C ATOM 889 CZ PHE A 56 0.290 23.234 13.119 1.00 0.00 C ATOM 0 H PHE A 56 3.063 17.218 13.361 1.00 0.00 H new ATOM 0 HA PHE A 56 3.737 19.905 12.949 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.441 18.625 13.118 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.556 18.987 14.829 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.091 20.706 15.337 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.415 20.989 11.778 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.816 22.953 14.927 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.511 23.236 11.366 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.109 24.221 12.936 1.00 0.00 H new ATOM 899 N ALA A 57 4.352 21.015 15.114 1.00 0.00 N ATOM 900 CA ALA A 57 4.951 21.600 16.308 1.00 0.00 C ATOM 901 C ALA A 57 4.056 21.398 17.526 1.00 0.00 C ATOM 902 O ALA A 57 4.534 21.358 18.659 1.00 0.00 O ATOM 903 CB ALA A 57 5.223 23.081 16.090 1.00 0.00 C ATOM 0 H ALA A 57 4.221 21.671 14.344 1.00 0.00 H new ATOM 0 HA ALA A 57 5.897 21.092 16.497 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.670 23.505 16.989 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.908 23.206 15.251 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.286 23.595 15.874 1.00 0.00 H new ATOM 909 N SER A 58 2.755 21.271 17.284 1.00 0.00 N ATOM 910 CA SER A 58 1.792 21.077 18.362 1.00 0.00 C ATOM 911 C SER A 58 0.417 20.720 17.806 1.00 0.00 C ATOM 912 O SER A 58 -0.483 21.556 17.723 1.00 0.00 O ATOM 913 CB SER A 58 1.695 22.340 19.221 1.00 0.00 C ATOM 914 OG SER A 58 1.192 22.042 20.511 1.00 0.00 O ATOM 0 H SER A 58 2.344 21.299 16.351 1.00 0.00 H new ATOM 0 HA SER A 58 2.140 20.250 18.981 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.679 22.800 19.308 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.045 23.067 18.733 1.00 0.00 H new ATOM 0 HG SER A 58 1.141 22.865 21.040 1.00 0.00 H new ATOM 920 N PRO A 59 0.251 19.448 17.414 1.00 0.00 N ATOM 921 CA PRO A 59 -1.011 18.950 16.859 1.00 0.00 C ATOM 922 C PRO A 59 -2.116 18.876 17.907 1.00 0.00 C ATOM 923 O PRO A 59 -1.847 18.881 19.108 1.00 0.00 O ATOM 924 CB PRO A 59 -0.651 17.548 16.361 1.00 0.00 C ATOM 925 CG PRO A 59 0.513 17.138 17.195 1.00 0.00 C ATOM 926 CD PRO A 59 1.281 18.398 17.484 1.00 0.00 C ATOM 0 HA PRO A 59 -1.401 19.606 16.081 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.487 16.858 16.481 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.395 17.558 15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.183 16.662 18.118 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.135 16.414 16.668 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.754 18.364 18.465 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.073 18.563 16.753 1.00 0.00 H new ATOM 934 N ASP A 60 -3.360 18.806 17.445 1.00 0.00 N ATOM 935 CA ASP A 60 -4.506 18.729 18.343 1.00 0.00 C ATOM 936 C ASP A 60 -4.751 17.290 18.788 1.00 0.00 C ATOM 937 O ASP A 60 -5.185 17.043 19.914 1.00 0.00 O ATOM 938 CB ASP A 60 -5.756 19.283 17.658 1.00 0.00 C ATOM 939 CG ASP A 60 -6.690 19.976 18.630 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.492 20.823 18.183 1.00 0.00 O ATOM 941 OD2 ASP A 60 -6.620 19.671 19.839 1.00 0.00 O ATOM 0 H ASP A 60 -3.600 18.801 16.454 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.287 19.332 19.224 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.459 19.986 16.880 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.288 18.469 17.165 1.00 0.00 H new ATOM 946 N VAL A 61 -4.472 16.344 17.898 1.00 0.00 N ATOM 947 CA VAL A 61 -4.661 14.930 18.199 1.00 0.00 C ATOM 948 C VAL A 61 -3.616 14.073 17.494 1.00 0.00 C ATOM 949 O VAL A 61 -3.114 14.435 16.429 1.00 0.00 O ATOM 950 CB VAL A 61 -6.066 14.452 17.784 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.314 13.035 18.277 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.129 15.403 18.312 1.00 0.00 C ATOM 0 H VAL A 61 -4.114 16.531 16.961 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.550 14.818 19.278 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.124 14.448 16.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.311 12.714 17.975 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.571 12.364 17.846 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.239 13.010 19.364 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.115 15.050 18.010 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.075 15.441 19.400 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.960 16.400 17.905 1.00 0.00 H new ATOM 962 N THR A 62 -3.291 12.933 18.095 1.00 0.00 N ATOM 963 CA THR A 62 -2.305 12.023 17.526 1.00 0.00 C ATOM 964 C THR A 62 -2.910 10.648 17.266 1.00 0.00 C ATOM 965 O THR A 62 -3.055 9.840 18.183 1.00 0.00 O ATOM 966 CB THR A 62 -1.084 11.867 18.453 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.611 13.156 18.862 1.00 0.00 O ATOM 968 CG2 THR A 62 0.034 11.110 17.752 1.00 0.00 C ATOM 0 H THR A 62 -3.697 12.618 18.976 1.00 0.00 H new ATOM 0 HA THR A 62 -1.982 12.459 16.581 1.00 0.00 H new ATOM 0 HB THR A 62 -1.392 11.298 19.330 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.164 13.048 19.452 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.885 11.012 18.426 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.320 10.119 17.468 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.339 11.656 16.859 1.00 0.00 H new ATOM 976 N VAL A 63 -3.261 10.389 16.011 1.00 0.00 N ATOM 977 CA VAL A 63 -3.849 9.111 15.630 1.00 0.00 C ATOM 978 C VAL A 63 -2.796 8.171 15.053 1.00 0.00 C ATOM 979 O VAL A 63 -1.887 8.600 14.342 1.00 0.00 O ATOM 980 CB VAL A 63 -4.976 9.297 14.597 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.401 9.404 13.193 1.00 0.00 C ATOM 982 CG2 VAL A 63 -5.975 8.153 14.687 1.00 0.00 C ATOM 0 H VAL A 63 -3.148 11.048 15.240 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.266 8.672 16.537 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.501 10.226 14.821 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.212 9.535 12.477 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.728 10.260 13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.850 8.494 12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.765 8.301 13.950 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.466 7.209 14.490 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.411 8.128 15.686 1.00 0.00 H new ATOM 992 N THR A 64 -2.924 6.885 15.364 1.00 0.00 N ATOM 993 CA THR A 64 -1.984 5.883 14.877 1.00 0.00 C ATOM 994 C THR A 64 -2.701 4.791 14.093 1.00 0.00 C ATOM 995 O THR A 64 -3.644 4.174 14.589 1.00 0.00 O ATOM 996 CB THR A 64 -1.201 5.238 16.036 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.374 6.007 17.232 1.00 0.00 O ATOM 998 CG2 THR A 64 0.280 5.140 15.700 1.00 0.00 C ATOM 0 H THR A 64 -3.670 6.513 15.951 1.00 0.00 H new ATOM 0 HA THR A 64 -1.285 6.399 14.219 1.00 0.00 H new ATOM 0 HB THR A 64 -1.590 4.232 16.192 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.875 5.589 17.965 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.813 4.681 16.533 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.411 4.530 14.806 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.679 6.138 15.520 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.247 4.554 12.866 1.00 0.00 N ATOM 1007 CA VAL A 65 -2.845 3.533 12.014 1.00 0.00 C ATOM 1008 C VAL A 65 -1.783 2.819 11.185 1.00 0.00 C ATOM 1009 O VAL A 65 -0.631 3.247 11.130 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.897 4.139 11.066 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -5.218 4.340 11.794 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.396 5.451 10.483 1.00 0.00 C ATOM 0 H VAL A 65 -1.467 5.055 12.440 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.332 2.815 12.674 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.064 3.443 10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.949 4.769 11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.582 3.380 12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.070 5.016 12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.152 5.865 9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.199 6.156 11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.477 5.274 9.924 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.180 1.725 10.541 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.250 0.968 9.723 1.00 0.00 C ATOM 1024 C GLY A 66 -1.417 1.251 8.244 1.00 0.00 C ATOM 1025 O GLY A 66 -2.353 1.940 7.837 1.00 0.00 O ATOM 0 H GLY A 66 -3.128 1.350 10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.230 1.207 10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.395 -0.097 9.905 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.506 0.720 7.435 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.554 0.920 5.991 1.00 0.00 C ATOM 1031 C LEU A 67 -1.797 0.269 5.393 1.00 0.00 C ATOM 1032 O LEU A 67 -2.595 0.929 4.728 1.00 0.00 O ATOM 1033 CB LEU A 67 0.703 0.347 5.334 1.00 0.00 C ATOM 1034 CG LEU A 67 2.032 0.710 5.998 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.935 -0.511 6.084 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.720 1.832 5.235 1.00 0.00 C ATOM 0 H LEU A 67 0.275 0.147 7.755 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.599 1.992 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.615 -0.739 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.733 0.684 4.298 1.00 0.00 H new ATOM 0 HG LEU A 67 1.828 1.058 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.876 -0.235 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.445 -1.285 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.132 -0.889 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.664 2.077 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.912 1.511 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.078 2.712 5.225 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.954 -1.028 5.635 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.101 -1.767 5.120 1.00 0.00 C ATOM 1050 C GLU A 68 -4.408 -1.076 5.497 1.00 0.00 C ATOM 1051 O GLU A 68 -5.287 -0.885 4.657 1.00 0.00 O ATOM 1052 CB GLU A 68 -3.095 -3.200 5.658 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.845 -3.982 5.294 1.00 0.00 C ATOM 1054 CD GLU A 68 -2.148 -5.214 4.463 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -2.468 -6.265 5.056 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -2.065 -5.127 3.220 1.00 0.00 O ATOM 0 H GLU A 68 -1.302 -1.589 6.184 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.025 -1.794 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.192 -3.172 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.968 -3.727 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.164 -3.334 4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.330 -4.282 6.207 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.528 -0.703 6.767 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.726 -0.032 7.256 1.00 0.00 C ATOM 1065 C ASP A 69 -6.057 1.185 6.398 1.00 0.00 C ATOM 1066 O ASP A 69 -7.159 1.297 5.861 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.540 0.392 8.714 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.912 -0.700 9.559 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.285 -1.878 9.378 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.048 -0.375 10.400 1.00 0.00 O ATOM 0 H ASP A 69 -3.810 -0.854 7.476 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.557 -0.735 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.914 1.283 8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.507 0.663 9.137 1.00 0.00 H new ATOM 1075 N MET A 70 -5.096 2.094 6.275 1.00 0.00 N ATOM 1076 CA MET A 70 -5.286 3.303 5.481 1.00 0.00 C ATOM 1077 C MET A 70 -5.443 2.964 4.003 1.00 0.00 C ATOM 1078 O MET A 70 -6.032 3.730 3.239 1.00 0.00 O ATOM 1079 CB MET A 70 -4.105 4.257 5.675 1.00 0.00 C ATOM 1080 CG MET A 70 -4.190 5.077 6.953 1.00 0.00 C ATOM 1081 SD MET A 70 -3.371 6.677 6.806 1.00 0.00 S ATOM 1082 CE MET A 70 -4.702 7.782 7.269 1.00 0.00 C ATOM 0 H MET A 70 -4.179 2.017 6.714 1.00 0.00 H new ATOM 0 HA MET A 70 -6.199 3.792 5.822 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.180 3.680 5.684 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.051 4.933 4.822 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.237 5.232 7.212 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.739 4.516 7.771 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.350 8.813 7.227 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.537 7.655 6.580 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.030 7.552 8.283 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.913 1.813 3.605 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.994 1.372 2.217 1.00 0.00 C ATOM 1094 C LEU A 71 -6.446 1.191 1.787 1.00 0.00 C ATOM 1095 O LEU A 71 -6.834 1.595 0.691 1.00 0.00 O ATOM 1096 CB LEU A 71 -4.228 0.061 2.032 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.832 -0.288 0.597 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -2.524 -1.063 0.577 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -4.936 -1.086 -0.082 1.00 0.00 C ATOM 0 H LEU A 71 -4.422 1.168 4.224 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.542 2.141 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.323 0.104 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.837 -0.752 2.427 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.689 0.641 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.259 -1.302 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.735 -0.457 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.639 -1.986 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.637 -1.326 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.111 -2.009 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.852 -0.496 -0.102 1.00 0.00 H new ATOM 1111 N ALA A 72 -7.244 0.583 2.658 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.655 0.352 2.371 1.00 0.00 C ATOM 1113 C ALA A 72 -9.431 1.664 2.346 1.00 0.00 C ATOM 1114 O ALA A 72 -10.386 1.817 1.584 1.00 0.00 O ATOM 1115 CB ALA A 72 -9.254 -0.599 3.396 1.00 0.00 C ATOM 0 H ALA A 72 -6.938 0.241 3.569 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.730 -0.103 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.308 -0.762 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.724 -1.551 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.160 -0.166 4.392 1.00 0.00 H new ATOM 1121 N ILE A 73 -9.016 2.608 3.184 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.673 3.907 3.257 1.00 0.00 C ATOM 1123 C ILE A 73 -9.283 4.788 2.075 1.00 0.00 C ATOM 1124 O ILE A 73 -10.126 5.159 1.259 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.327 4.641 4.566 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.433 3.685 5.756 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.242 5.840 4.760 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.018 4.307 7.071 1.00 0.00 C ATOM 0 H ILE A 73 -8.228 2.497 3.822 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.746 3.719 3.228 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.300 5.000 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.461 3.333 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.811 2.810 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.984 6.348 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.121 6.529 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.278 5.504 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.119 3.572 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.980 4.633 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.656 5.165 7.285 1.00 0.00 H new ATOM 1140 N SER A 74 -7.998 5.118 1.989 1.00 0.00 N ATOM 1141 CA SER A 74 -7.495 5.957 0.907 1.00 0.00 C ATOM 1142 C SER A 74 -7.838 5.355 -0.452 1.00 0.00 C ATOM 1143 O SER A 74 -7.997 6.072 -1.439 1.00 0.00 O ATOM 1144 CB SER A 74 -5.981 6.134 1.032 1.00 0.00 C ATOM 1145 OG SER A 74 -5.317 5.687 -0.137 1.00 0.00 O ATOM 0 H SER A 74 -7.287 4.817 2.655 1.00 0.00 H new ATOM 0 HA SER A 74 -7.975 6.933 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.748 7.184 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.617 5.578 1.896 1.00 0.00 H new ATOM 0 HG SER A 74 -4.539 5.147 0.115 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.951 4.030 -0.494 1.00 0.00 N ATOM 1152 CA GLY A 75 -8.274 3.353 -1.736 1.00 0.00 C ATOM 1153 C GLY A 75 -9.738 3.483 -2.104 1.00 0.00 C ATOM 1154 O GLY A 75 -10.174 2.977 -3.138 1.00 0.00 O ATOM 0 H GLY A 75 -7.825 3.415 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.663 3.764 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.017 2.297 -1.648 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.502 4.163 -1.255 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.926 4.359 -1.495 1.00 0.00 C ATOM 1160 C LYS A 76 -12.673 3.030 -1.456 1.00 0.00 C ATOM 1161 O LYS A 76 -13.350 2.657 -2.414 1.00 0.00 O ATOM 1162 CB LYS A 76 -12.148 5.041 -2.847 1.00 0.00 C ATOM 1163 CG LYS A 76 -13.380 5.927 -2.887 1.00 0.00 C ATOM 1164 CD LYS A 76 -13.992 5.970 -4.277 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.946 7.373 -4.864 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.076 8.213 -4.380 1.00 0.00 N ATOM 0 H LYS A 76 -10.158 4.588 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.317 4.999 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.271 5.641 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.235 4.277 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.118 5.558 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.113 6.937 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.457 5.283 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.026 5.627 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.001 7.847 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.978 7.313 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.009 9.161 -4.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.978 7.774 -4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.031 8.292 -3.344 1.00 0.00 H new ATOM 1180 N THR A 77 -12.546 2.318 -0.340 1.00 0.00 N ATOM 1181 CA THR A 77 -13.209 1.030 -0.176 1.00 0.00 C ATOM 1182 C THR A 77 -13.852 0.914 1.202 1.00 0.00 C ATOM 1183 O THR A 77 -15.062 0.719 1.319 1.00 0.00 O ATOM 1184 CB THR A 77 -12.224 -0.138 -0.370 1.00 0.00 C ATOM 1185 OG1 THR A 77 -11.568 -0.020 -1.638 1.00 0.00 O ATOM 1186 CG2 THR A 77 -12.946 -1.474 -0.289 1.00 0.00 C ATOM 0 H THR A 77 -11.990 2.612 0.463 1.00 0.00 H new ATOM 0 HA THR A 77 -13.983 0.974 -0.941 1.00 0.00 H new ATOM 0 HB THR A 77 -11.482 -0.095 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.942 -0.765 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.230 -2.284 -0.429 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.419 -1.573 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.707 -1.524 -1.068 1.00 0.00 H new ATOM 1194 N LEU A 78 -13.035 1.036 2.242 1.00 0.00 N ATOM 1195 CA LEU A 78 -13.525 0.946 3.614 1.00 0.00 C ATOM 1196 C LEU A 78 -13.968 2.313 4.125 1.00 0.00 C ATOM 1197 O LEU A 78 -13.721 3.337 3.487 1.00 0.00 O ATOM 1198 CB LEU A 78 -12.439 0.374 4.527 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.601 -1.093 4.926 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -11.338 -1.605 5.601 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.805 -1.267 5.840 1.00 0.00 C ATOM 0 H LEU A 78 -12.031 1.197 2.162 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.387 0.279 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.476 0.490 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.403 0.975 5.436 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.768 -1.679 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.472 -2.651 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.497 -1.516 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.139 -1.015 6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.905 -2.317 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.668 -0.669 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.706 -0.940 5.321 1.00 0.00 H new ATOM 1213 N THR A 79 -14.623 2.322 5.282 1.00 0.00 N ATOM 1214 CA THR A 79 -15.100 3.563 5.880 1.00 0.00 C ATOM 1215 C THR A 79 -14.544 3.744 7.287 1.00 0.00 C ATOM 1216 O THR A 79 -14.147 2.777 7.938 1.00 0.00 O ATOM 1217 CB THR A 79 -16.639 3.603 5.939 1.00 0.00 C ATOM 1218 OG1 THR A 79 -17.066 4.472 6.994 1.00 0.00 O ATOM 1219 CG2 THR A 79 -17.208 2.210 6.160 1.00 0.00 C ATOM 0 H THR A 79 -14.835 1.484 5.823 1.00 0.00 H new ATOM 0 HA THR A 79 -14.747 4.376 5.245 1.00 0.00 H new ATOM 0 HB THR A 79 -17.008 3.981 4.986 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.752 4.023 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.296 2.263 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.905 1.559 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.831 1.808 7.101 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.518 4.989 7.753 1.00 0.00 N ATOM 1228 CA VAL A 80 -14.011 5.297 9.085 1.00 0.00 C ATOM 1229 C VAL A 80 -14.773 4.522 10.155 1.00 0.00 C ATOM 1230 O VAL A 80 -14.236 4.223 11.220 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.111 6.803 9.389 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.902 7.064 10.873 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.104 7.582 8.556 1.00 0.00 C ATOM 0 H VAL A 80 -14.842 5.801 7.227 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.962 5.000 9.102 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.111 7.144 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.976 8.134 11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.665 6.537 11.446 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.915 6.709 11.169 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.188 8.645 8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.096 7.240 8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.305 7.420 7.497 1.00 0.00 H new ATOM 1243 N GLY A 81 -16.029 4.199 9.862 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.845 3.462 10.809 1.00 0.00 C ATOM 1245 C GLY A 81 -16.403 2.020 10.956 1.00 0.00 C ATOM 1246 O GLY A 81 -16.329 1.496 12.067 1.00 0.00 O ATOM 0 H GLY A 81 -16.496 4.434 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.801 3.953 11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.885 3.489 10.485 1.00 0.00 H new ATOM 1250 N ASP A 82 -16.109 1.375 9.832 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.672 -0.016 9.839 1.00 0.00 C ATOM 1252 C ASP A 82 -14.372 -0.173 10.622 1.00 0.00 C ATOM 1253 O ASP A 82 -14.258 -1.041 11.487 1.00 0.00 O ATOM 1254 CB ASP A 82 -15.485 -0.522 8.408 1.00 0.00 C ATOM 1255 CG ASP A 82 -16.429 -1.658 8.067 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -16.064 -2.827 8.313 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -17.533 -1.378 7.556 1.00 0.00 O ATOM 0 H ASP A 82 -16.166 1.794 8.904 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.444 -0.611 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.645 0.301 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.456 -0.856 8.276 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.395 0.673 10.312 1.00 0.00 N ATOM 1263 CA ALA A 83 -12.104 0.628 10.986 1.00 0.00 C ATOM 1264 C ALA A 83 -12.258 0.874 12.483 1.00 0.00 C ATOM 1265 O ALA A 83 -11.515 0.319 13.294 1.00 0.00 O ATOM 1266 CB ALA A 83 -11.155 1.650 10.377 1.00 0.00 C ATOM 0 H ALA A 83 -13.473 1.398 9.598 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.685 -0.369 10.849 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.194 1.606 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.012 1.429 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.578 2.649 10.485 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.226 1.709 12.844 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.477 2.029 14.245 1.00 0.00 C ATOM 1274 C LEU A 84 -14.046 0.823 14.986 1.00 0.00 C ATOM 1275 O LEU A 84 -13.559 0.450 16.053 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.442 3.211 14.354 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.238 4.137 15.553 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.919 4.885 15.431 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.398 5.114 15.677 1.00 0.00 C ATOM 0 H LEU A 84 -13.850 2.177 12.186 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.527 2.300 14.706 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.361 3.805 13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.459 2.821 14.391 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.205 3.528 16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.791 5.539 16.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.097 4.170 15.393 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.923 5.483 14.519 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.235 5.765 16.536 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.464 5.717 14.772 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.327 4.560 15.812 1.00 0.00 H new ATOM 1291 N LYS A 85 -15.079 0.216 14.412 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.713 -0.950 15.014 1.00 0.00 C ATOM 1293 C LYS A 85 -14.717 -2.097 15.159 1.00 0.00 C ATOM 1294 O LYS A 85 -14.703 -2.793 16.173 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.907 -1.401 14.169 1.00 0.00 C ATOM 1296 CG LYS A 85 -17.455 -2.760 14.567 1.00 0.00 C ATOM 1297 CD LYS A 85 -18.842 -2.992 13.992 1.00 0.00 C ATOM 1298 CE LYS A 85 -19.075 -4.461 13.674 1.00 0.00 C ATOM 1299 NZ LYS A 85 -20.485 -4.725 13.273 1.00 0.00 N ATOM 0 H LYS A 85 -15.495 0.513 13.529 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.064 -0.669 16.007 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.701 -0.659 14.253 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.609 -1.432 13.121 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.780 -3.542 14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.494 -2.834 15.654 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -19.594 -2.649 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.965 -2.399 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.405 -4.769 12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.826 -5.065 14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.603 -5.737 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -21.123 -4.455 14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.715 -4.168 12.425 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.886 -2.285 14.139 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.887 -3.347 14.154 1.00 0.00 C ATOM 1315 C GLN A 86 -11.731 -2.993 15.085 1.00 0.00 C ATOM 1316 O GLN A 86 -11.166 -3.863 15.747 1.00 0.00 O ATOM 1317 CB GLN A 86 -12.360 -3.601 12.741 1.00 0.00 C ATOM 1318 CG GLN A 86 -13.426 -4.083 11.771 1.00 0.00 C ATOM 1319 CD GLN A 86 -12.854 -4.485 10.426 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -11.675 -4.824 10.317 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -13.687 -4.448 9.393 1.00 0.00 N ATOM 0 H GLN A 86 -13.885 -1.716 13.292 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.364 -4.255 14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.919 -2.681 12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.562 -4.342 12.788 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.950 -4.933 12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.164 -3.294 11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.656 -4.161 9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.358 -4.707 8.463 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.385 -1.710 15.130 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.298 -1.265 15.982 1.00 0.00 C ATOM 1332 C GLY A 87 -8.991 -1.124 15.228 1.00 0.00 C ATOM 1333 O GLY A 87 -7.916 -1.342 15.788 1.00 0.00 O ATOM 0 H GLY A 87 -11.838 -0.971 14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.561 -0.307 16.430 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.168 -1.974 16.800 1.00 0.00 H new ATOM 1337 N LYS A 88 -9.081 -0.760 13.954 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.897 -0.591 13.120 1.00 0.00 C ATOM 1339 C LYS A 88 -7.190 0.722 13.439 1.00 0.00 C ATOM 1340 O LYS A 88 -5.966 0.819 13.343 1.00 0.00 O ATOM 1341 CB LYS A 88 -8.281 -0.629 11.639 1.00 0.00 C ATOM 1342 CG LYS A 88 -9.244 -1.750 11.289 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.721 -3.100 11.749 1.00 0.00 C ATOM 1344 CE LYS A 88 -8.779 -4.131 10.633 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.471 -4.269 9.936 1.00 0.00 N ATOM 0 H LYS A 88 -9.963 -0.576 13.476 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.213 -1.413 13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.732 0.325 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.377 -0.738 11.040 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.212 -1.557 11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.405 -1.769 10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.693 -2.994 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.308 -3.449 12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.074 -5.096 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.545 -3.844 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.626 -4.637 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.008 -3.339 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.863 -4.927 10.465 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.968 1.730 13.820 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.415 3.036 14.156 1.00 0.00 C ATOM 1361 C ILE A 89 -7.032 3.109 15.630 1.00 0.00 C ATOM 1362 O ILE A 89 -7.592 2.396 16.462 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.412 4.167 13.840 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -9.196 3.845 12.567 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.680 5.493 13.697 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -8.329 3.757 11.330 1.00 0.00 C ATOM 0 H ILE A 89 -8.983 1.667 13.904 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.522 3.167 13.545 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.118 4.251 14.667 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.720 2.899 12.702 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.956 4.611 12.414 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.398 6.283 13.474 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.163 5.725 14.628 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.954 5.423 12.887 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.951 3.526 10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.825 4.710 11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.585 2.971 11.462 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.074 3.975 15.945 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.617 4.141 17.320 1.00 0.00 C ATOM 1380 C GLU A 90 -5.890 5.557 17.817 1.00 0.00 C ATOM 1381 O GLU A 90 -5.881 6.513 17.040 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.122 3.832 17.424 1.00 0.00 C ATOM 1383 CG GLU A 90 -3.595 3.847 18.849 1.00 0.00 C ATOM 1384 CD GLU A 90 -2.523 2.801 19.086 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -1.390 3.185 19.445 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -2.817 1.600 18.913 1.00 0.00 O ATOM 0 H GLU A 90 -5.600 4.572 15.267 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.170 3.442 17.947 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.931 2.853 16.985 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.567 4.560 16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.190 4.834 19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.421 3.678 19.540 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.135 5.685 19.117 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.412 6.984 19.719 1.00 0.00 C ATOM 1395 C LEU A 91 -5.321 7.366 20.715 1.00 0.00 C ATOM 1396 O LEU A 91 -4.808 6.518 21.444 1.00 0.00 O ATOM 1397 CB LEU A 91 -7.772 6.964 20.419 1.00 0.00 C ATOM 1398 CG LEU A 91 -8.229 5.609 20.960 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -7.300 5.136 22.068 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -9.663 5.691 21.463 1.00 0.00 C ATOM 0 H LEU A 91 -6.147 4.905 19.774 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.430 7.729 18.924 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.742 7.672 21.247 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.524 7.325 19.718 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.191 4.884 20.147 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.641 4.170 22.441 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.288 5.037 21.676 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.305 5.861 22.882 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.971 4.717 21.844 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.727 6.430 22.262 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.320 5.984 20.644 1.00 0.00 H new ATOM 1412 N SER A 92 -4.974 8.649 20.741 1.00 0.00 N ATOM 1413 CA SER A 92 -3.943 9.144 21.646 1.00 0.00 C ATOM 1414 C SER A 92 -3.849 10.665 21.581 1.00 0.00 C ATOM 1415 O SER A 92 -3.418 11.230 20.577 1.00 0.00 O ATOM 1416 CB SER A 92 -2.589 8.522 21.299 1.00 0.00 C ATOM 1417 OG SER A 92 -2.644 7.841 20.058 1.00 0.00 O ATOM 0 H SER A 92 -5.392 9.364 20.146 1.00 0.00 H new ATOM 0 HA SER A 92 -4.217 8.857 22.661 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.828 9.301 21.257 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.292 7.828 22.085 1.00 0.00 H new ATOM 0 HG SER A 92 -2.775 8.489 19.335 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.255 11.324 22.663 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.209 12.773 22.710 1.00 0.00 C ATOM 1425 C GLY A 93 -5.523 13.381 23.158 1.00 0.00 C ATOM 1426 O GLY A 93 -5.861 13.345 24.341 1.00 0.00 O ATOM 0 H GLY A 93 -4.615 10.879 23.507 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.417 13.086 23.390 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.952 13.157 21.723 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.266 13.943 22.211 1.00 0.00 N ATOM 1431 CA ASP A 94 -7.551 14.563 22.514 1.00 0.00 C ATOM 1432 C ASP A 94 -8.696 13.772 21.890 1.00 0.00 C ATOM 1433 O ASP A 94 -9.222 14.145 20.842 1.00 0.00 O ATOM 1434 CB ASP A 94 -7.577 16.007 22.009 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.333 17.012 23.118 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.536 17.950 22.904 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -7.939 16.861 24.199 1.00 0.00 O ATOM 0 H ASP A 94 -6.001 13.982 21.227 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.680 14.563 23.596 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.819 16.132 21.236 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.542 16.209 21.545 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.077 12.678 22.540 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.160 11.835 22.050 1.00 0.00 C ATOM 1444 C ALA A 95 -11.349 12.676 21.599 1.00 0.00 C ATOM 1445 O ALA A 95 -12.010 12.355 20.611 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.588 10.846 23.124 1.00 0.00 C ATOM 0 H ALA A 95 -8.651 12.354 23.408 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.792 11.280 21.187 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.398 10.223 22.743 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.742 10.215 23.396 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.932 11.390 24.004 1.00 0.00 H new ATOM 1452 N ASP A 96 -11.616 13.753 22.328 1.00 0.00 N ATOM 1453 CA ASP A 96 -12.726 14.642 22.003 1.00 0.00 C ATOM 1454 C ASP A 96 -12.671 15.066 20.539 1.00 0.00 C ATOM 1455 O ASP A 96 -13.673 15.000 19.824 1.00 0.00 O ATOM 1456 CB ASP A 96 -12.701 15.876 22.906 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.051 16.161 23.534 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -15.077 15.989 22.842 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -14.082 16.556 24.718 1.00 0.00 O ATOM 0 H ASP A 96 -11.079 14.032 23.149 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.656 14.098 22.171 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.961 15.732 23.693 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.384 16.742 22.325 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.497 15.502 20.098 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.311 15.938 18.719 1.00 0.00 C ATOM 1466 C LEU A 97 -11.386 14.756 17.758 1.00 0.00 C ATOM 1467 O LEU A 97 -12.102 14.799 16.759 1.00 0.00 O ATOM 1468 CB LEU A 97 -9.965 16.650 18.565 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.007 18.178 18.598 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.349 18.703 19.865 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.330 18.757 17.364 1.00 0.00 C ATOM 0 H LEU A 97 -10.659 15.563 20.676 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.114 16.633 18.473 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.302 16.307 19.360 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.518 16.339 17.621 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.050 18.494 18.597 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.388 19.792 19.871 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.877 18.316 20.736 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.309 18.377 19.897 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.369 19.846 17.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.290 18.432 17.334 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.845 18.408 16.469 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.643 13.699 18.071 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.629 12.502 17.238 1.00 0.00 C ATOM 1485 C ALA A 98 -12.038 11.954 17.040 1.00 0.00 C ATOM 1486 O ALA A 98 -12.334 11.329 16.022 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.729 11.441 17.854 1.00 0.00 C ATOM 0 H ALA A 98 -10.043 13.647 18.895 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.233 12.775 16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.728 10.553 17.222 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.714 11.829 17.937 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.100 11.180 18.845 1.00 0.00 H new ATOM 1493 N ALA A 99 -12.903 12.192 18.021 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.282 11.723 17.953 1.00 0.00 C ATOM 1495 C ALA A 99 -15.066 12.477 16.885 1.00 0.00 C ATOM 1496 O ALA A 99 -15.949 11.915 16.236 1.00 0.00 O ATOM 1497 CB ALA A 99 -14.956 11.870 19.309 1.00 0.00 C ATOM 0 H ALA A 99 -12.673 12.706 18.871 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.269 10.668 17.679 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.985 11.516 19.244 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.416 11.281 20.050 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.951 12.919 19.606 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.740 13.752 16.707 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.413 14.584 15.717 1.00 0.00 C ATOM 1505 C LYS A 100 -15.329 13.955 14.330 1.00 0.00 C ATOM 1506 O LYS A 100 -16.314 13.922 13.592 1.00 0.00 O ATOM 1507 CB LYS A 100 -14.795 15.984 15.692 1.00 0.00 C ATOM 1508 CG LYS A 100 -14.629 16.600 17.070 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.872 16.403 17.923 1.00 0.00 C ATOM 1510 CE LYS A 100 -16.197 17.650 18.731 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.085 18.020 19.651 1.00 0.00 N ATOM 0 H LYS A 100 -14.013 14.233 17.236 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.463 14.662 15.998 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.821 15.933 15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.421 16.637 15.084 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.770 16.152 17.569 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.420 17.665 16.971 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.718 16.152 17.283 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.722 15.560 18.597 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.399 18.479 18.053 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.106 17.482 19.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.478 18.368 20.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.493 17.185 19.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.507 18.766 19.214 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.148 13.456 13.983 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.936 12.826 12.684 1.00 0.00 C ATOM 1527 C LEU A 101 -14.830 11.601 12.521 1.00 0.00 C ATOM 1528 O LEU A 101 -15.397 11.372 11.453 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.468 12.426 12.523 1.00 0.00 C ATOM 1530 CG LEU A 101 -12.064 11.896 11.147 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -10.974 12.764 10.539 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.603 10.449 11.247 1.00 0.00 C ATOM 0 H LEU A 101 -13.323 13.475 14.582 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.196 13.548 11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.849 13.293 12.752 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.236 11.663 13.266 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.936 11.934 10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.700 12.371 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.340 13.785 10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.100 12.759 11.190 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.319 10.088 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -10.745 10.386 11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.414 9.835 11.638 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.953 10.818 13.588 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.781 9.618 13.564 1.00 0.00 C ATOM 1546 C ALA A 102 -17.263 9.975 13.580 1.00 0.00 C ATOM 1547 O ALA A 102 -18.093 9.241 13.043 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.440 8.718 14.742 1.00 0.00 C ATOM 0 H ALA A 102 -14.490 10.993 14.480 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.573 9.081 12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.066 7.826 14.711 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.391 8.427 14.686 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.619 9.255 15.674 1.00 0.00 H new