USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 43 ASN : amide:sc= -1.35 K(o=-1.4,f=-4.8!) USER MOD Set 1.2: A 46 GLN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 8 SER OG : rot 66:sc= 0.548 USER MOD Set 2.2: A 19 THR OG1 : rot 88:sc= 0.252 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -0.551 (180deg=-0.773) USER MOD Single : A 11 THR OG1 : rot 1:sc= 0.243 USER MOD Single : A 21 SER OG : rot 77:sc= 0.794 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.62 K(o=-4.6,f=-5.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.62) USER MOD Single : A 34 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.74) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00398 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -2.36 X(o=-2.4,f=-2.5) USER MOD Single : A 109 SER OG : rot 50:sc= 1.21 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 7.726 9.417 2.493 1.00 1.00 N ATOM 33 CA LEU A 3 6.418 8.960 3.007 1.00 1.00 C ATOM 34 C LEU A 3 6.258 7.423 2.818 1.00 1.00 C ATOM 35 O LEU A 3 6.840 6.868 1.885 1.00 1.00 O ATOM 36 CB LEU A 3 5.265 9.738 2.276 1.00 1.00 C ATOM 37 CG LEU A 3 4.947 11.100 2.973 1.00 1.00 C ATOM 38 CD1 LEU A 3 6.189 12.021 2.968 1.00 1.00 C ATOM 39 CD2 LEU A 3 3.778 11.798 2.241 1.00 1.00 C ATOM 0 HA LEU A 3 6.362 9.169 4.075 1.00 1.00 H new ATOM 0 HB2 LEU A 3 5.549 9.919 1.239 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.366 9.121 2.257 1.00 1.00 H new ATOM 0 HG LEU A 3 4.666 10.903 4.008 1.00 1.00 H new ATOM 0 HD11 LEU A 3 5.945 12.964 3.458 1.00 1.00 H new ATOM 0 HD12 LEU A 3 7.005 11.535 3.503 1.00 1.00 H new ATOM 0 HD13 LEU A 3 6.494 12.215 1.940 1.00 1.00 H new ATOM 0 HD21 LEU A 3 3.558 12.748 2.729 1.00 1.00 H new ATOM 0 HD22 LEU A 3 4.055 11.979 1.203 1.00 1.00 H new ATOM 0 HD23 LEU A 3 2.895 11.160 2.274 1.00 1.00 H new ATOM 51 N PRO A 4 5.500 6.764 3.651 1.00 1.00 N ATOM 52 CA PRO A 4 5.299 5.273 3.526 1.00 1.00 C ATOM 53 C PRO A 4 4.495 4.911 2.269 1.00 1.00 C ATOM 54 O PRO A 4 4.568 3.784 1.777 1.00 1.00 O ATOM 55 CB PRO A 4 4.537 4.905 4.835 1.00 1.00 C ATOM 56 CG PRO A 4 3.766 6.153 5.158 1.00 1.00 C ATOM 57 CD PRO A 4 4.730 7.301 4.813 1.00 1.00 C ATOM 0 HA PRO A 4 6.234 4.724 3.415 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.875 4.052 4.687 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.225 4.639 5.638 1.00 1.00 H new ATOM 0 HG2 PRO A 4 2.849 6.216 4.573 1.00 1.00 H new ATOM 0 HG3 PRO A 4 3.476 6.180 6.208 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.193 8.213 4.553 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.383 7.544 5.651 1.00 1.00 H new ATOM 65 N ILE A 5 3.711 5.865 1.776 1.00 1.00 N ATOM 66 CA ILE A 5 2.865 5.647 0.572 1.00 1.00 C ATOM 67 C ILE A 5 3.162 6.721 -0.490 1.00 1.00 C ATOM 68 O ILE A 5 3.182 7.918 -0.202 1.00 1.00 O ATOM 69 CB ILE A 5 1.360 5.691 0.975 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.090 4.605 2.064 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.460 5.414 -0.270 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.338 4.729 2.620 1.00 1.00 C ATOM 0 H ILE A 5 3.633 6.799 2.179 1.00 1.00 H new ATOM 0 HA ILE A 5 3.094 4.669 0.148 1.00 1.00 H new ATOM 0 HB ILE A 5 1.123 6.679 1.368 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.233 3.612 1.637 1.00 1.00 H new ATOM 0 HG13 ILE A 5 1.811 4.710 2.875 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.589 5.447 0.025 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.648 6.172 -1.030 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.692 4.429 -0.675 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.502 3.962 3.377 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.470 5.714 3.068 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -1.056 4.599 1.810 1.00 1.00 H new ATOM 84 N THR A 6 3.359 6.272 -1.726 1.00 1.00 N ATOM 85 CA THR A 6 3.631 7.196 -2.862 1.00 1.00 C ATOM 86 C THR A 6 2.764 6.815 -4.069 1.00 1.00 C ATOM 87 O THR A 6 2.832 5.696 -4.577 1.00 1.00 O ATOM 88 CB THR A 6 5.129 7.132 -3.243 1.00 1.00 C ATOM 89 OG1 THR A 6 5.910 7.359 -2.080 1.00 1.00 O ATOM 90 CG2 THR A 6 5.482 8.212 -4.292 1.00 1.00 C ATOM 0 H THR A 6 3.339 5.285 -1.982 1.00 1.00 H new ATOM 0 HA THR A 6 3.384 8.214 -2.560 1.00 1.00 H new ATOM 0 HB THR A 6 5.336 6.149 -3.666 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.861 7.319 -2.312 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.541 8.144 -4.542 1.00 1.00 H new ATOM 0 HG22 THR A 6 4.886 8.054 -5.191 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.268 9.200 -3.884 1.00 1.00 H new ATOM 98 N LEU A 7 1.959 7.768 -4.526 1.00 1.00 N ATOM 99 CA LEU A 7 1.066 7.552 -5.686 1.00 1.00 C ATOM 100 C LEU A 7 1.667 8.176 -6.948 1.00 1.00 C ATOM 101 O LEU A 7 2.352 9.197 -6.880 1.00 1.00 O ATOM 102 CB LEU A 7 -0.323 8.175 -5.388 1.00 1.00 C ATOM 103 CG LEU A 7 -0.890 7.643 -4.003 1.00 1.00 C ATOM 104 CD1 LEU A 7 -0.625 8.670 -2.872 1.00 1.00 C ATOM 105 CD2 LEU A 7 -2.412 7.372 -4.099 1.00 1.00 C ATOM 0 H LEU A 7 1.898 8.701 -4.119 1.00 1.00 H new ATOM 0 HA LEU A 7 0.953 6.481 -5.856 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.242 9.262 -5.360 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -1.018 7.928 -6.190 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.375 6.711 -3.771 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -1.021 8.286 -1.932 1.00 1.00 H new ATOM 0 HD12 LEU A 7 0.448 8.834 -2.774 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -1.115 9.613 -3.114 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -2.778 7.008 -3.139 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -2.930 8.295 -4.359 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -2.600 6.622 -4.867 1.00 1.00 H new ATOM 117 N SER A 8 1.402 7.557 -8.094 1.00 1.00 N ATOM 118 CA SER A 8 1.925 8.059 -9.382 1.00 1.00 C ATOM 119 C SER A 8 0.988 9.121 -9.957 1.00 1.00 C ATOM 120 O SER A 8 0.822 9.220 -11.173 1.00 1.00 O ATOM 121 CB SER A 8 2.073 6.891 -10.374 1.00 1.00 C ATOM 122 OG SER A 8 0.807 6.272 -10.563 1.00 1.00 O ATOM 0 H SER A 8 0.834 6.713 -8.169 1.00 1.00 H new ATOM 0 HA SER A 8 2.902 8.512 -9.215 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.459 7.254 -11.326 1.00 1.00 H new ATOM 0 HB3 SER A 8 2.792 6.165 -9.995 1.00 1.00 H new ATOM 0 HG SER A 8 0.201 6.897 -11.013 1.00 1.00 H new ATOM 128 N LYS A 9 0.378 9.908 -9.077 1.00 1.00 N ATOM 129 CA LYS A 9 -0.544 10.980 -9.482 1.00 1.00 C ATOM 130 C LYS A 9 0.237 12.141 -10.122 1.00 1.00 C ATOM 131 O LYS A 9 0.117 13.292 -9.702 1.00 1.00 O ATOM 132 CB LYS A 9 -1.387 11.466 -8.267 1.00 1.00 C ATOM 133 CG LYS A 9 -2.595 12.352 -8.724 1.00 1.00 C ATOM 134 CD LYS A 9 -3.532 12.727 -7.510 1.00 1.00 C ATOM 135 CE LYS A 9 -4.752 11.778 -7.433 1.00 1.00 C ATOM 136 NZ LYS A 9 -4.277 10.372 -7.328 1.00 1.00 N ATOM 0 H LYS A 9 0.503 9.827 -8.068 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.235 10.586 -10.228 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.756 10.604 -7.711 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -0.753 12.036 -7.588 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -2.222 13.263 -9.192 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -3.173 11.819 -9.479 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -2.966 12.673 -6.580 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -3.874 13.756 -7.615 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.369 12.030 -6.571 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -5.376 11.898 -8.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -5.080 9.750 -7.107 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -3.852 10.081 -8.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -3.566 10.301 -6.572 1.00 1.00 H new ATOM 150 N GLU A 10 1.020 11.820 -11.146 1.00 1.00 N ATOM 151 CA GLU A 10 1.824 12.837 -11.841 1.00 1.00 C ATOM 152 C GLU A 10 0.942 14.017 -12.268 1.00 1.00 C ATOM 153 O GLU A 10 1.383 15.167 -12.301 1.00 1.00 O ATOM 154 CB GLU A 10 2.485 12.203 -13.090 1.00 1.00 C ATOM 155 CG GLU A 10 3.426 11.055 -12.669 1.00 1.00 C ATOM 156 CD GLU A 10 4.068 10.407 -13.898 1.00 1.00 C ATOM 157 OE1 GLU A 10 3.365 10.217 -14.878 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.251 10.109 -13.843 1.00 1.00 O ATOM 0 H GLU A 10 1.120 10.875 -11.516 1.00 1.00 H new ATOM 0 HA GLU A 10 2.594 13.204 -11.162 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.717 11.825 -13.765 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.046 12.960 -13.638 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.202 11.438 -12.006 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.867 10.307 -12.107 1.00 1.00 H new ATOM 165 N THR A 11 -0.312 13.715 -12.588 1.00 1.00 N ATOM 166 CA THR A 11 -1.281 14.755 -13.018 1.00 1.00 C ATOM 167 C THR A 11 -2.659 14.582 -12.314 1.00 1.00 C ATOM 168 O THR A 11 -3.123 13.447 -12.195 1.00 1.00 O ATOM 169 CB THR A 11 -1.473 14.656 -14.544 1.00 1.00 C ATOM 170 OG1 THR A 11 -2.103 13.421 -14.851 1.00 1.00 O ATOM 171 CG2 THR A 11 -0.105 14.720 -15.255 1.00 1.00 C ATOM 0 H THR A 11 -0.693 12.769 -12.563 1.00 1.00 H new ATOM 0 HA THR A 11 -0.883 15.731 -12.741 1.00 1.00 H new ATOM 0 HB THR A 11 -2.090 15.487 -14.885 1.00 1.00 H new ATOM 0 HG1 THR A 11 -2.277 12.928 -14.022 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.251 14.649 -16.333 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.385 15.664 -15.017 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.519 13.892 -14.919 1.00 1.00 H new ATOM 179 N PRO A 12 -3.298 15.641 -11.896 1.00 1.00 N ATOM 180 CA PRO A 12 -4.650 15.509 -11.225 1.00 1.00 C ATOM 181 C PRO A 12 -5.784 15.308 -12.255 1.00 1.00 C ATOM 182 O PRO A 12 -6.060 16.197 -13.061 1.00 1.00 O ATOM 183 CB PRO A 12 -4.784 16.853 -10.469 1.00 1.00 C ATOM 184 CG PRO A 12 -4.122 17.837 -11.392 1.00 1.00 C ATOM 185 CD PRO A 12 -2.890 17.082 -11.953 1.00 1.00 C ATOM 0 HA PRO A 12 -4.726 14.640 -10.571 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -5.828 17.110 -10.288 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.291 16.819 -9.497 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -4.796 18.145 -12.192 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -3.824 18.741 -10.860 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -2.660 17.393 -12.972 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -1.999 17.270 -11.354 1.00 1.00 H new ATOM 193 N PHE A 13 -6.430 14.147 -12.209 1.00 1.00 N ATOM 194 CA PHE A 13 -7.539 13.851 -13.137 1.00 1.00 C ATOM 195 C PHE A 13 -8.316 12.604 -12.680 1.00 1.00 C ATOM 196 O PHE A 13 -7.857 11.477 -12.867 1.00 1.00 O ATOM 197 CB PHE A 13 -6.990 13.635 -14.570 1.00 1.00 C ATOM 198 CG PHE A 13 -8.155 13.610 -15.578 1.00 1.00 C ATOM 199 CD1 PHE A 13 -8.866 12.419 -15.814 1.00 1.00 C ATOM 200 CD2 PHE A 13 -8.528 14.785 -16.265 1.00 1.00 C ATOM 201 CE1 PHE A 13 -9.931 12.402 -16.725 1.00 1.00 C ATOM 202 CE2 PHE A 13 -9.594 14.762 -17.175 1.00 1.00 C ATOM 203 CZ PHE A 13 -10.294 13.572 -17.403 1.00 1.00 C ATOM 0 H PHE A 13 -6.215 13.398 -11.551 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.221 14.701 -13.138 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.293 14.433 -14.826 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.435 12.698 -14.619 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.590 11.515 -15.291 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -7.990 15.705 -16.089 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.473 11.485 -16.904 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -9.875 15.663 -17.700 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.116 13.556 -18.103 1.00 1.00 H new ATOM 213 N GLU A 14 -9.483 12.821 -12.084 1.00 1.00 N ATOM 214 CA GLU A 14 -10.319 11.702 -11.611 1.00 1.00 C ATOM 215 C GLU A 14 -10.554 10.682 -12.744 1.00 1.00 C ATOM 216 O GLU A 14 -10.646 11.046 -13.916 1.00 1.00 O ATOM 217 CB GLU A 14 -11.668 12.241 -11.077 1.00 1.00 C ATOM 218 CG GLU A 14 -12.487 11.112 -10.403 1.00 1.00 C ATOM 219 CD GLU A 14 -13.805 11.653 -9.831 1.00 1.00 C ATOM 220 OE1 GLU A 14 -14.201 12.747 -10.205 1.00 1.00 O ATOM 221 OE2 GLU A 14 -14.406 10.951 -9.033 1.00 1.00 O ATOM 0 H GLU A 14 -9.876 13.747 -11.914 1.00 1.00 H new ATOM 0 HA GLU A 14 -9.797 11.193 -10.800 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -11.486 13.041 -10.360 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -12.242 12.672 -11.897 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -12.697 10.327 -11.130 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -11.899 10.659 -9.605 1.00 1.00 H new ATOM 228 N GLY A 15 -10.645 9.409 -12.372 1.00 1.00 N ATOM 229 CA GLY A 15 -10.860 8.328 -13.353 1.00 1.00 C ATOM 230 C GLY A 15 -9.529 7.766 -13.851 1.00 1.00 C ATOM 231 O GLY A 15 -9.461 6.628 -14.312 1.00 1.00 O ATOM 0 H GLY A 15 -10.575 9.092 -11.405 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.448 7.531 -12.898 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.437 8.707 -14.197 1.00 1.00 H new ATOM 235 N GLU A 16 -8.478 8.573 -13.755 1.00 1.00 N ATOM 236 CA GLU A 16 -7.141 8.152 -14.204 1.00 1.00 C ATOM 237 C GLU A 16 -6.612 7.040 -13.300 1.00 1.00 C ATOM 238 O GLU A 16 -6.800 7.071 -12.085 1.00 1.00 O ATOM 239 CB GLU A 16 -6.172 9.363 -14.188 1.00 1.00 C ATOM 240 CG GLU A 16 -4.801 8.984 -14.801 1.00 1.00 C ATOM 241 CD GLU A 16 -3.868 10.199 -14.815 1.00 1.00 C ATOM 242 OE1 GLU A 16 -3.287 10.484 -13.781 1.00 1.00 O ATOM 243 OE2 GLU A 16 -3.753 10.824 -15.858 1.00 1.00 O ATOM 0 H GLU A 16 -8.517 9.518 -13.374 1.00 1.00 H new ATOM 0 HA GLU A 16 -7.211 7.771 -15.223 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -6.609 10.190 -14.748 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.033 9.709 -13.164 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -4.349 8.177 -14.225 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -4.940 8.612 -15.816 1.00 1.00 H new ATOM 250 N GLU A 17 -5.941 6.065 -13.905 1.00 1.00 N ATOM 251 CA GLU A 17 -5.382 4.948 -13.149 1.00 1.00 C ATOM 252 C GLU A 17 -4.208 5.442 -12.297 1.00 1.00 C ATOM 253 O GLU A 17 -3.332 6.164 -12.775 1.00 1.00 O ATOM 254 CB GLU A 17 -4.919 3.833 -14.117 1.00 1.00 C ATOM 255 CG GLU A 17 -4.487 2.570 -13.330 1.00 1.00 C ATOM 256 CD GLU A 17 -4.055 1.460 -14.289 1.00 1.00 C ATOM 257 OE1 GLU A 17 -3.280 1.749 -15.186 1.00 1.00 O ATOM 258 OE2 GLU A 17 -4.503 0.337 -14.112 1.00 1.00 O ATOM 0 H GLU A 17 -5.771 6.025 -14.910 1.00 1.00 H new ATOM 0 HA GLU A 17 -6.147 4.537 -12.491 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.728 3.581 -14.803 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.087 4.193 -14.723 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.666 2.817 -12.658 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.313 2.221 -12.710 1.00 1.00 H new ATOM 265 N ILE A 18 -4.194 5.030 -11.033 1.00 1.00 N ATOM 266 CA ILE A 18 -3.116 5.423 -10.091 1.00 1.00 C ATOM 267 C ILE A 18 -2.389 4.177 -9.579 1.00 1.00 C ATOM 268 O ILE A 18 -2.991 3.122 -9.377 1.00 1.00 O ATOM 269 CB ILE A 18 -3.713 6.234 -8.901 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.898 5.453 -8.256 1.00 1.00 C ATOM 271 CG2 ILE A 18 -4.210 7.613 -9.414 1.00 1.00 C ATOM 272 CD1 ILE A 18 -5.361 6.149 -6.963 1.00 1.00 C ATOM 0 H ILE A 18 -4.908 4.426 -10.625 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.399 6.055 -10.615 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.940 6.382 -8.147 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.728 5.392 -8.960 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.591 4.431 -8.036 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.628 8.181 -8.583 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.374 8.163 -9.846 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.977 7.464 -10.174 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -6.189 5.591 -6.526 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.534 6.187 -6.254 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.688 7.163 -7.193 1.00 1.00 H new ATOM 284 N THR A 19 -1.084 4.317 -9.370 1.00 1.00 N ATOM 285 CA THR A 19 -0.256 3.203 -8.876 1.00 1.00 C ATOM 286 C THR A 19 -0.101 3.314 -7.356 1.00 1.00 C ATOM 287 O THR A 19 0.585 4.203 -6.849 1.00 1.00 O ATOM 288 CB THR A 19 1.133 3.251 -9.559 1.00 1.00 C ATOM 289 OG1 THR A 19 0.950 3.319 -10.965 1.00 1.00 O ATOM 290 CG2 THR A 19 1.961 1.992 -9.221 1.00 1.00 C ATOM 0 H THR A 19 -0.571 5.184 -9.532 1.00 1.00 H new ATOM 0 HA THR A 19 -0.737 2.254 -9.114 1.00 1.00 H new ATOM 0 HB THR A 19 1.670 4.127 -9.196 1.00 1.00 H new ATOM 0 HG1 THR A 19 0.868 4.256 -11.239 1.00 1.00 H new ATOM 0 HG21 THR A 19 2.932 2.052 -9.713 1.00 1.00 H new ATOM 0 HG22 THR A 19 2.105 1.930 -8.142 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.432 1.105 -9.568 1.00 1.00 H new ATOM 298 N VAL A 20 -0.729 2.387 -6.639 1.00 1.00 N ATOM 299 CA VAL A 20 -0.661 2.374 -5.166 1.00 1.00 C ATOM 300 C VAL A 20 0.473 1.454 -4.721 1.00 1.00 C ATOM 301 O VAL A 20 0.436 0.250 -4.980 1.00 1.00 O ATOM 302 CB VAL A 20 -2.014 1.885 -4.580 1.00 1.00 C ATOM 303 CG1 VAL A 20 -2.016 2.020 -3.035 1.00 1.00 C ATOM 304 CG2 VAL A 20 -3.166 2.738 -5.167 1.00 1.00 C ATOM 0 H VAL A 20 -1.289 1.636 -7.043 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.468 3.382 -4.800 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.153 0.837 -4.844 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.971 1.673 -2.641 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.210 1.417 -2.616 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.868 3.065 -2.761 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -4.117 2.397 -4.757 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.013 3.785 -4.906 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.180 2.633 -6.252 1.00 1.00 H new ATOM 314 N SER A 21 1.467 2.017 -4.043 1.00 1.00 N ATOM 315 CA SER A 21 2.630 1.249 -3.552 1.00 1.00 C ATOM 316 C SER A 21 2.848 1.512 -2.065 1.00 1.00 C ATOM 317 O SER A 21 2.764 2.648 -1.598 1.00 1.00 O ATOM 318 CB SER A 21 3.887 1.669 -4.327 1.00 1.00 C ATOM 319 OG SER A 21 5.017 0.992 -3.789 1.00 1.00 O ATOM 0 H SER A 21 1.500 3.010 -3.814 1.00 1.00 H new ATOM 0 HA SER A 21 2.438 0.187 -3.703 1.00 1.00 H new ATOM 0 HB2 SER A 21 3.774 1.429 -5.384 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.028 2.748 -4.258 1.00 1.00 H new ATOM 0 HG SER A 21 5.020 0.062 -4.099 1.00 1.00 H new ATOM 325 N ALA A 22 3.143 0.446 -1.328 1.00 1.00 N ATOM 326 CA ALA A 22 3.381 0.527 0.131 1.00 1.00 C ATOM 327 C ALA A 22 4.761 -0.044 0.476 1.00 1.00 C ATOM 328 O ALA A 22 5.055 -1.198 0.167 1.00 1.00 O ATOM 329 CB ALA A 22 2.290 -0.285 0.851 1.00 1.00 C ATOM 0 H ALA A 22 3.226 -0.496 -1.710 1.00 1.00 H new ATOM 0 HA ALA A 22 3.348 1.569 0.450 1.00 1.00 H new ATOM 0 HB1 ALA A 22 2.451 -0.236 1.928 1.00 1.00 H new ATOM 0 HB2 ALA A 22 1.311 0.129 0.611 1.00 1.00 H new ATOM 0 HB3 ALA A 22 2.335 -1.324 0.525 1.00 1.00 H new ATOM 335 N ARG A 23 5.589 0.764 1.129 1.00 1.00 N ATOM 336 CA ARG A 23 6.936 0.315 1.510 1.00 1.00 C ATOM 337 C ARG A 23 6.847 -0.589 2.738 1.00 1.00 C ATOM 338 O ARG A 23 6.449 -0.156 3.820 1.00 1.00 O ATOM 339 CB ARG A 23 7.848 1.523 1.804 1.00 1.00 C ATOM 340 CG ARG A 23 7.981 2.403 0.539 1.00 1.00 C ATOM 341 CD ARG A 23 8.955 3.564 0.809 1.00 1.00 C ATOM 342 NE ARG A 23 8.462 4.386 1.917 1.00 1.00 N ATOM 343 CZ ARG A 23 9.182 5.393 2.427 1.00 1.00 C ATOM 344 NH1 ARG A 23 10.350 5.694 1.921 1.00 1.00 N ATOM 345 NH2 ARG A 23 8.715 6.077 3.436 1.00 1.00 N ATOM 0 H ARG A 23 5.363 1.720 1.405 1.00 1.00 H new ATOM 0 HA ARG A 23 7.368 -0.245 0.681 1.00 1.00 H new ATOM 0 HB2 ARG A 23 7.435 2.110 2.624 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.832 1.178 2.123 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.340 1.802 -0.297 1.00 1.00 H new ATOM 0 HG3 ARG A 23 7.005 2.795 0.253 1.00 1.00 H new ATOM 0 HD2 ARG A 23 9.943 3.172 1.048 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.063 4.175 -0.087 1.00 1.00 H new ATOM 0 HE ARG A 23 7.543 4.185 2.312 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.717 5.160 1.133 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.893 6.462 2.314 1.00 1.00 H new ATOM 0 HH21 ARG A 23 7.805 5.843 3.833 1.00 1.00 H new ATOM 0 HH22 ARG A 23 9.260 6.845 3.828 1.00 1.00 H new ATOM 359 N VAL A 24 7.230 -1.850 2.560 1.00 1.00 N ATOM 360 CA VAL A 24 7.194 -2.836 3.650 1.00 1.00 C ATOM 361 C VAL A 24 8.567 -2.916 4.314 1.00 1.00 C ATOM 362 O VAL A 24 9.564 -3.216 3.658 1.00 1.00 O ATOM 363 CB VAL A 24 6.799 -4.219 3.071 1.00 1.00 C ATOM 364 CG1 VAL A 24 6.704 -5.285 4.201 1.00 1.00 C ATOM 365 CG2 VAL A 24 5.435 -4.101 2.353 1.00 1.00 C ATOM 0 H VAL A 24 7.570 -2.219 1.672 1.00 1.00 H new ATOM 0 HA VAL A 24 6.459 -2.535 4.397 1.00 1.00 H new ATOM 0 HB VAL A 24 7.566 -4.535 2.364 1.00 1.00 H new ATOM 0 HG11 VAL A 24 6.426 -6.247 3.771 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.670 -5.375 4.698 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.950 -4.980 4.926 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.154 -5.072 1.944 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.677 -3.773 3.064 1.00 1.00 H new ATOM 0 HG23 VAL A 24 5.512 -3.375 1.544 1.00 1.00 H new ATOM 375 N THR A 25 8.611 -2.656 5.617 1.00 1.00 N ATOM 376 CA THR A 25 9.878 -2.699 6.385 1.00 1.00 C ATOM 377 C THR A 25 9.890 -3.920 7.313 1.00 1.00 C ATOM 378 O THR A 25 9.009 -4.083 8.158 1.00 1.00 O ATOM 379 CB THR A 25 10.021 -1.399 7.210 1.00 1.00 C ATOM 380 OG1 THR A 25 9.943 -0.289 6.328 1.00 1.00 O ATOM 381 CG2 THR A 25 11.379 -1.349 7.953 1.00 1.00 C ATOM 0 H THR A 25 7.792 -2.412 6.174 1.00 1.00 H new ATOM 0 HA THR A 25 10.718 -2.781 5.695 1.00 1.00 H new ATOM 0 HB THR A 25 9.221 -1.370 7.950 1.00 1.00 H new ATOM 0 HG1 THR A 25 10.031 0.542 6.840 1.00 1.00 H new ATOM 0 HG21 THR A 25 11.448 -0.423 8.523 1.00 1.00 H new ATOM 0 HG22 THR A 25 11.454 -2.199 8.631 1.00 1.00 H new ATOM 0 HG23 THR A 25 12.192 -1.390 7.228 1.00 1.00 H new ATOM 389 N ASN A 26 10.903 -4.766 7.152 1.00 1.00 N ATOM 390 CA ASN A 26 11.041 -5.976 7.978 1.00 1.00 C ATOM 391 C ASN A 26 11.852 -5.657 9.236 1.00 1.00 C ATOM 392 O ASN A 26 12.953 -5.114 9.161 1.00 1.00 O ATOM 393 CB ASN A 26 11.737 -7.077 7.156 1.00 1.00 C ATOM 394 CG ASN A 26 10.874 -7.464 5.951 1.00 1.00 C ATOM 395 OD1 ASN A 26 9.973 -6.721 5.555 1.00 1.00 O ATOM 396 ND2 ASN A 26 11.099 -8.593 5.340 1.00 1.00 N ATOM 0 H ASN A 26 11.642 -4.642 6.460 1.00 1.00 H new ATOM 0 HA ASN A 26 10.055 -6.327 8.281 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.712 -6.726 6.817 1.00 1.00 H new ATOM 0 HB3 ASN A 26 11.913 -7.952 7.782 1.00 1.00 H new ATOM 0 HD21 ASN A 26 10.530 -8.860 4.536 1.00 1.00 H new ATOM 0 HD22 ASN A 26 11.844 -9.209 5.665 1.00 1.00 H new ATOM 444 N ALA A 30 16.372 -11.612 11.915 1.00 1.00 N ATOM 445 CA ALA A 30 16.698 -12.620 10.886 1.00 1.00 C ATOM 446 C ALA A 30 15.996 -12.291 9.571 1.00 1.00 C ATOM 447 O ALA A 30 15.047 -11.506 9.530 1.00 1.00 O ATOM 448 CB ALA A 30 16.263 -14.013 11.378 1.00 1.00 C ATOM 0 HA ALA A 30 17.774 -12.613 10.713 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.503 -14.758 10.619 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.789 -14.253 12.302 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.189 -14.015 11.561 1.00 1.00 H new ATOM 454 N GLU A 31 16.472 -12.908 8.494 1.00 1.00 N ATOM 455 CA GLU A 31 15.891 -12.684 7.165 1.00 1.00 C ATOM 456 C GLU A 31 14.465 -13.248 7.117 1.00 1.00 C ATOM 457 O GLU A 31 14.252 -14.440 7.335 1.00 1.00 O ATOM 458 CB GLU A 31 16.763 -13.370 6.090 1.00 1.00 C ATOM 459 CG GLU A 31 18.173 -12.737 6.060 1.00 1.00 C ATOM 460 CD GLU A 31 19.063 -13.406 5.005 1.00 1.00 C ATOM 461 OE1 GLU A 31 18.576 -14.264 4.281 1.00 1.00 O ATOM 462 OE2 GLU A 31 20.227 -13.047 4.935 1.00 1.00 O ATOM 0 H GLU A 31 17.253 -13.564 8.510 1.00 1.00 H new ATOM 0 HA GLU A 31 15.857 -11.613 6.967 1.00 1.00 H new ATOM 0 HB2 GLU A 31 16.840 -14.437 6.301 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.292 -13.271 5.112 1.00 1.00 H new ATOM 0 HG2 GLU A 31 18.091 -11.671 5.846 1.00 1.00 H new ATOM 0 HG3 GLU A 31 18.637 -12.830 7.042 1.00 1.00 H new ATOM 469 N ALA A 32 13.501 -12.382 6.823 1.00 1.00 N ATOM 470 CA ALA A 32 12.085 -12.785 6.741 1.00 1.00 C ATOM 471 C ALA A 32 11.726 -13.151 5.304 1.00 1.00 C ATOM 472 O ALA A 32 12.341 -12.660 4.356 1.00 1.00 O ATOM 473 CB ALA A 32 11.195 -11.623 7.220 1.00 1.00 C ATOM 0 H ALA A 32 13.666 -11.393 6.636 1.00 1.00 H new ATOM 0 HA ALA A 32 11.922 -13.656 7.377 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.148 -11.918 7.160 1.00 1.00 H new ATOM 0 HB2 ALA A 32 11.444 -11.375 8.252 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.363 -10.751 6.587 1.00 1.00 H new ATOM 479 N HIS A 33 10.721 -14.005 5.151 1.00 1.00 N ATOM 480 CA HIS A 33 10.267 -14.448 3.818 1.00 1.00 C ATOM 481 C HIS A 33 8.750 -14.593 3.802 1.00 1.00 C ATOM 482 O HIS A 33 8.085 -14.509 4.835 1.00 1.00 O ATOM 483 CB HIS A 33 10.930 -15.793 3.468 1.00 1.00 C ATOM 484 CG HIS A 33 12.429 -15.643 3.518 1.00 1.00 C ATOM 485 ND1 HIS A 33 13.167 -15.992 4.636 1.00 1.00 N ATOM 486 CD2 HIS A 33 13.338 -15.180 2.598 1.00 1.00 C ATOM 487 CE1 HIS A 33 14.461 -15.738 4.366 1.00 1.00 C ATOM 488 NE2 HIS A 33 14.620 -15.242 3.137 1.00 1.00 N ATOM 0 H HIS A 33 10.198 -14.410 5.927 1.00 1.00 H new ATOM 0 HA HIS A 33 10.554 -13.703 3.076 1.00 1.00 H new ATOM 0 HB2 HIS A 33 10.607 -16.563 4.169 1.00 1.00 H new ATOM 0 HB3 HIS A 33 10.619 -16.116 2.474 1.00 1.00 H new ATOM 0 HD2 HIS A 33 13.095 -14.823 1.608 1.00 1.00 H new ATOM 0 HE1 HIS A 33 15.271 -15.914 5.058 1.00 1.00 H new ATOM 0 HE2 HIS A 33 15.494 -14.967 2.689 1.00 1.00 H new ATOM 497 N ASN A 34 8.207 -14.806 2.607 1.00 1.00 N ATOM 498 CA ASN A 34 6.754 -14.957 2.444 1.00 1.00 C ATOM 499 C ASN A 34 6.009 -13.793 3.121 1.00 1.00 C ATOM 500 O ASN A 34 5.248 -13.980 4.070 1.00 1.00 O ATOM 501 CB ASN A 34 6.298 -16.309 3.021 1.00 1.00 C ATOM 502 CG ASN A 34 4.799 -16.528 2.786 1.00 1.00 C ATOM 503 OD1 ASN A 34 3.985 -16.253 3.668 1.00 1.00 O ATOM 504 ND2 ASN A 34 4.391 -17.005 1.643 1.00 1.00 N ATOM 0 H ASN A 34 8.741 -14.878 1.741 1.00 1.00 H new ATOM 0 HA ASN A 34 6.515 -14.935 1.381 1.00 1.00 H new ATOM 0 HB2 ASN A 34 6.864 -17.116 2.557 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.511 -16.343 4.089 1.00 1.00 H new ATOM 0 HD21 ASN A 34 3.395 -17.151 1.478 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.068 -17.232 0.914 1.00 1.00 H new ATOM 511 N VAL A 35 6.242 -12.590 2.607 1.00 1.00 N ATOM 512 CA VAL A 35 5.608 -11.366 3.152 1.00 1.00 C ATOM 513 C VAL A 35 4.618 -10.785 2.125 1.00 1.00 C ATOM 514 O VAL A 35 4.993 -9.881 1.378 1.00 1.00 O ATOM 515 CB VAL A 35 6.721 -10.333 3.493 1.00 1.00 C ATOM 516 CG1 VAL A 35 6.111 -9.084 4.188 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.749 -11.001 4.452 1.00 1.00 C ATOM 0 H VAL A 35 6.862 -12.423 1.815 1.00 1.00 H new ATOM 0 HA VAL A 35 5.052 -11.605 4.058 1.00 1.00 H new ATOM 0 HB VAL A 35 7.209 -10.017 2.571 1.00 1.00 H new ATOM 0 HG11 VAL A 35 6.904 -8.373 4.419 1.00 1.00 H new ATOM 0 HG12 VAL A 35 5.386 -8.615 3.523 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.615 -9.387 5.110 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.534 -10.286 4.698 1.00 1.00 H new ATOM 0 HG22 VAL A 35 7.244 -11.314 5.366 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.190 -11.871 3.964 1.00 1.00 H new ATOM 527 N PRO A 36 3.404 -11.263 2.079 1.00 1.00 N ATOM 528 CA PRO A 36 2.390 -10.731 1.105 1.00 1.00 C ATOM 529 C PRO A 36 1.785 -9.417 1.589 1.00 1.00 C ATOM 530 O PRO A 36 1.805 -9.093 2.777 1.00 1.00 O ATOM 531 CB PRO A 36 1.354 -11.875 1.022 1.00 1.00 C ATOM 532 CG PRO A 36 1.329 -12.409 2.424 1.00 1.00 C ATOM 533 CD PRO A 36 2.805 -12.368 2.895 1.00 1.00 C ATOM 0 HA PRO A 36 2.810 -10.482 0.130 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.375 -11.511 0.711 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.653 -12.639 0.304 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.693 -11.801 3.067 1.00 1.00 H new ATOM 0 HG3 PRO A 36 0.934 -13.424 2.453 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.880 -12.164 3.963 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.310 -13.317 2.716 1.00 1.00 H new ATOM 541 N VAL A 37 1.236 -8.661 0.644 1.00 1.00 N ATOM 542 CA VAL A 37 0.604 -7.355 0.944 1.00 1.00 C ATOM 543 C VAL A 37 -0.833 -7.345 0.431 1.00 1.00 C ATOM 544 O VAL A 37 -1.113 -7.768 -0.691 1.00 1.00 O ATOM 545 CB VAL A 37 1.408 -6.211 0.271 1.00 1.00 C ATOM 546 CG1 VAL A 37 0.834 -4.823 0.669 1.00 1.00 C ATOM 547 CG2 VAL A 37 2.883 -6.298 0.711 1.00 1.00 C ATOM 0 H VAL A 37 1.210 -8.920 -0.342 1.00 1.00 H new ATOM 0 HA VAL A 37 0.601 -7.202 2.023 1.00 1.00 H new ATOM 0 HB VAL A 37 1.331 -6.322 -0.811 1.00 1.00 H new ATOM 0 HG11 VAL A 37 1.414 -4.037 0.185 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -0.206 -4.755 0.351 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.891 -4.702 1.751 1.00 1.00 H new ATOM 0 HG21 VAL A 37 3.451 -5.496 0.240 1.00 1.00 H new ATOM 0 HG22 VAL A 37 2.946 -6.199 1.795 1.00 1.00 H new ATOM 0 HG23 VAL A 37 3.296 -7.261 0.410 1.00 1.00 H new ATOM 557 N ALA A 38 -1.737 -6.832 1.258 1.00 1.00 N ATOM 558 CA ALA A 38 -3.161 -6.736 0.901 1.00 1.00 C ATOM 559 C ALA A 38 -3.645 -5.310 1.124 1.00 1.00 C ATOM 560 O ALA A 38 -3.704 -4.840 2.260 1.00 1.00 O ATOM 561 CB ALA A 38 -3.970 -7.697 1.794 1.00 1.00 C ATOM 0 H ALA A 38 -1.514 -6.473 2.186 1.00 1.00 H new ATOM 0 HA ALA A 38 -3.296 -7.004 -0.147 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -5.027 -7.631 1.535 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.621 -8.718 1.639 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.835 -7.422 2.840 1.00 1.00 H new ATOM 567 N VAL A 39 -4.024 -4.637 0.042 1.00 1.00 N ATOM 568 CA VAL A 39 -4.528 -3.260 0.085 1.00 1.00 C ATOM 569 C VAL A 39 -6.035 -3.259 -0.185 1.00 1.00 C ATOM 570 O VAL A 39 -6.542 -3.990 -1.036 1.00 1.00 O ATOM 571 CB VAL A 39 -3.787 -2.399 -0.983 1.00 1.00 C ATOM 572 CG1 VAL A 39 -2.334 -2.102 -0.531 1.00 1.00 C ATOM 573 CG2 VAL A 39 -3.756 -3.128 -2.339 1.00 1.00 C ATOM 0 H VAL A 39 -3.991 -5.031 -0.898 1.00 1.00 H new ATOM 0 HA VAL A 39 -4.345 -2.833 1.071 1.00 1.00 H new ATOM 0 HB VAL A 39 -4.330 -1.460 -1.091 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -1.833 -1.500 -1.289 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -2.351 -1.557 0.413 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -1.795 -3.040 -0.398 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -3.235 -2.512 -3.072 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -3.235 -4.079 -2.229 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -4.776 -3.310 -2.678 1.00 1.00 H new ATOM 583 N TYR A 40 -6.744 -2.414 0.557 1.00 1.00 N ATOM 584 CA TYR A 40 -8.207 -2.301 0.419 1.00 1.00 C ATOM 585 C TYR A 40 -8.651 -0.852 0.655 1.00 1.00 C ATOM 586 O TYR A 40 -8.278 -0.221 1.645 1.00 1.00 O ATOM 587 CB TYR A 40 -8.884 -3.257 1.425 1.00 1.00 C ATOM 588 CG TYR A 40 -8.331 -2.991 2.830 1.00 1.00 C ATOM 589 CD1 TYR A 40 -7.180 -3.674 3.282 1.00 1.00 C ATOM 590 CD2 TYR A 40 -8.960 -2.060 3.679 1.00 1.00 C ATOM 591 CE1 TYR A 40 -6.675 -3.427 4.563 1.00 1.00 C ATOM 592 CE2 TYR A 40 -8.449 -1.819 4.960 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.309 -2.499 5.400 1.00 1.00 C ATOM 594 OH TYR A 40 -6.811 -2.254 6.661 1.00 1.00 O ATOM 0 H TYR A 40 -6.339 -1.796 1.260 1.00 1.00 H new ATOM 0 HA TYR A 40 -8.505 -2.581 -0.592 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.964 -3.110 1.413 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.700 -4.293 1.140 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.689 -4.388 2.637 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.839 -1.531 3.341 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.796 -3.952 4.907 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -8.936 -1.107 5.609 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.368 -1.583 7.108 1.00 1.00 H new ATOM 604 N LEU A 41 -9.456 -0.339 -0.268 1.00 1.00 N ATOM 605 CA LEU A 41 -9.948 1.048 -0.164 1.00 1.00 C ATOM 606 C LEU A 41 -11.197 1.097 0.728 1.00 1.00 C ATOM 607 O LEU A 41 -12.169 0.381 0.487 1.00 1.00 O ATOM 608 CB LEU A 41 -10.300 1.601 -1.575 1.00 1.00 C ATOM 609 CG LEU A 41 -10.531 3.172 -1.543 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.206 3.920 -1.836 1.00 1.00 C ATOM 611 CD2 LEU A 41 -11.598 3.591 -2.584 1.00 1.00 C ATOM 0 H LEU A 41 -9.784 -0.847 -1.090 1.00 1.00 H new ATOM 0 HA LEU A 41 -9.163 1.662 0.277 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -9.495 1.365 -2.271 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -11.198 1.108 -1.947 1.00 1.00 H new ATOM 0 HG LEU A 41 -10.883 3.439 -0.546 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.382 4.995 -1.810 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -8.464 3.655 -1.082 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -8.838 3.636 -2.822 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -11.740 4.671 -2.545 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.265 3.305 -3.582 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -12.541 3.092 -2.359 1.00 1.00 H new ATOM 623 N GLY A 42 -11.160 1.947 1.749 1.00 1.00 N ATOM 624 CA GLY A 42 -12.291 2.117 2.686 1.00 1.00 C ATOM 625 C GLY A 42 -11.852 1.878 4.118 1.00 1.00 C ATOM 626 O GLY A 42 -10.663 1.911 4.434 1.00 1.00 O ATOM 0 H GLY A 42 -10.356 2.539 1.959 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.699 3.123 2.590 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.090 1.423 2.426 1.00 1.00 H new ATOM 630 N ASN A 43 -12.827 1.644 4.990 1.00 1.00 N ATOM 631 CA ASN A 43 -12.552 1.410 6.422 1.00 1.00 C ATOM 632 C ASN A 43 -12.425 -0.110 6.725 1.00 1.00 C ATOM 633 O ASN A 43 -13.128 -0.906 6.101 1.00 1.00 O ATOM 634 CB ASN A 43 -13.695 2.035 7.258 1.00 1.00 C ATOM 635 CG ASN A 43 -15.050 1.549 6.750 1.00 1.00 C ATOM 636 OD1 ASN A 43 -15.244 0.354 6.538 1.00 1.00 O ATOM 637 ND2 ASN A 43 -16.009 2.416 6.539 1.00 1.00 N ATOM 0 H ASN A 43 -13.816 1.609 4.741 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.603 1.877 6.686 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -13.575 1.767 8.308 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -13.645 3.122 7.199 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -16.917 2.099 6.199 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -15.848 3.408 6.715 1.00 1.00 H new ATOM 644 N PRO A 44 -11.595 -0.499 7.656 1.00 1.00 N ATOM 645 CA PRO A 44 -11.444 -1.965 7.991 1.00 1.00 C ATOM 646 C PRO A 44 -12.681 -2.509 8.714 1.00 1.00 C ATOM 647 O PRO A 44 -12.830 -3.723 8.867 1.00 1.00 O ATOM 648 CB PRO A 44 -10.176 -2.000 8.874 1.00 1.00 C ATOM 649 CG PRO A 44 -10.209 -0.675 9.586 1.00 1.00 C ATOM 650 CD PRO A 44 -10.698 0.329 8.517 1.00 1.00 C ATOM 0 HA PRO A 44 -11.351 -2.600 7.110 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -10.198 -2.834 9.576 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -9.272 -2.112 8.275 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -10.883 -0.702 10.443 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.223 -0.403 9.964 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.232 1.167 8.966 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -9.868 0.748 7.948 1.00 1.00 H new ATOM 658 N ALA A 45 -13.556 -1.612 9.156 1.00 1.00 N ATOM 659 CA ALA A 45 -14.777 -2.016 9.867 1.00 1.00 C ATOM 660 C ALA A 45 -15.621 -2.956 9.002 1.00 1.00 C ATOM 661 O ALA A 45 -16.124 -3.976 9.477 1.00 1.00 O ATOM 662 CB ALA A 45 -15.597 -0.765 10.233 1.00 1.00 C ATOM 0 H ALA A 45 -13.449 -0.604 9.038 1.00 1.00 H new ATOM 0 HA ALA A 45 -14.494 -2.546 10.776 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -16.503 -1.065 10.760 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.002 -0.115 10.874 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -15.868 -0.228 9.324 1.00 1.00 H new ATOM 668 N GLN A 46 -15.764 -2.604 7.728 1.00 1.00 N ATOM 669 CA GLN A 46 -16.546 -3.421 6.785 1.00 1.00 C ATOM 670 C GLN A 46 -15.694 -4.583 6.268 1.00 1.00 C ATOM 671 O GLN A 46 -16.113 -5.306 5.363 1.00 1.00 O ATOM 672 CB GLN A 46 -17.008 -2.540 5.604 1.00 1.00 C ATOM 673 CG GLN A 46 -17.960 -1.431 6.107 1.00 1.00 C ATOM 674 CD GLN A 46 -18.425 -0.552 4.943 1.00 1.00 C ATOM 675 OE1 GLN A 46 -17.608 0.105 4.295 1.00 1.00 O ATOM 676 NE2 GLN A 46 -19.695 -0.501 4.639 1.00 1.00 N ATOM 0 H GLN A 46 -15.354 -1.764 7.319 1.00 1.00 H new ATOM 0 HA GLN A 46 -17.419 -3.827 7.297 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -16.143 -2.093 5.114 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -17.514 -3.154 4.859 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -18.823 -1.880 6.598 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -17.452 -0.819 6.852 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -20.370 -1.045 5.176 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -20.011 0.083 3.865 1.00 1.00 H new ATOM 685 N GLY A 47 -14.507 -4.753 6.839 1.00 1.00 N ATOM 686 CA GLY A 47 -13.589 -5.832 6.437 1.00 1.00 C ATOM 687 C GLY A 47 -12.834 -5.457 5.170 1.00 1.00 C ATOM 688 O GLY A 47 -11.891 -6.138 4.767 1.00 1.00 O ATOM 0 H GLY A 47 -14.149 -4.158 7.586 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -12.881 -6.032 7.242 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -14.151 -6.751 6.272 1.00 1.00 H new ATOM 692 N GLY A 48 -13.251 -4.358 4.550 1.00 1.00 N ATOM 693 CA GLY A 48 -12.610 -3.886 3.315 1.00 1.00 C ATOM 694 C GLY A 48 -12.601 -4.978 2.237 1.00 1.00 C ATOM 695 O GLY A 48 -13.040 -6.102 2.480 1.00 1.00 O ATOM 0 H GLY A 48 -14.024 -3.777 4.875 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -13.138 -3.008 2.942 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -11.587 -3.576 3.530 1.00 1.00 H new ATOM 699 N VAL A 49 -12.084 -4.643 1.059 1.00 1.00 N ATOM 700 CA VAL A 49 -12.004 -5.605 -0.075 1.00 1.00 C ATOM 701 C VAL A 49 -10.605 -5.572 -0.705 1.00 1.00 C ATOM 702 O VAL A 49 -10.040 -4.503 -0.935 1.00 1.00 O ATOM 703 CB VAL A 49 -13.095 -5.255 -1.128 1.00 1.00 C ATOM 704 CG1 VAL A 49 -12.878 -3.836 -1.713 1.00 1.00 C ATOM 705 CG2 VAL A 49 -13.103 -6.296 -2.279 1.00 1.00 C ATOM 0 H VAL A 49 -11.710 -3.718 0.848 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.182 -6.615 0.294 1.00 1.00 H new ATOM 0 HB VAL A 49 -14.058 -5.278 -0.618 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.656 -3.621 -2.445 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -12.923 -3.101 -0.910 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -11.902 -3.787 -2.196 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -13.873 -6.032 -3.003 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -12.130 -6.303 -2.770 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -13.311 -7.286 -1.873 1.00 1.00 H new ATOM 715 N GLU A 50 -10.064 -6.753 -0.988 1.00 1.00 N ATOM 716 CA GLU A 50 -8.732 -6.852 -1.596 1.00 1.00 C ATOM 717 C GLU A 50 -8.789 -6.383 -3.057 1.00 1.00 C ATOM 718 O GLU A 50 -9.662 -6.794 -3.823 1.00 1.00 O ATOM 719 CB GLU A 50 -8.228 -8.313 -1.509 1.00 1.00 C ATOM 720 CG GLU A 50 -6.757 -8.420 -1.976 1.00 1.00 C ATOM 721 CD GLU A 50 -6.259 -9.861 -1.852 1.00 1.00 C ATOM 722 OE1 GLU A 50 -6.507 -10.632 -2.763 1.00 1.00 O ATOM 723 OE2 GLU A 50 -5.643 -10.171 -0.843 1.00 1.00 O ATOM 0 H GLU A 50 -10.518 -7.649 -0.810 1.00 1.00 H new ATOM 0 HA GLU A 50 -8.036 -6.210 -1.055 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -8.315 -8.671 -0.483 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -8.857 -8.956 -2.125 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -6.673 -8.088 -3.011 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -6.130 -7.760 -1.377 1.00 1.00 H new ATOM 730 N ILE A 51 -7.845 -5.525 -3.428 1.00 1.00 N ATOM 731 CA ILE A 51 -7.775 -4.982 -4.808 1.00 1.00 C ATOM 732 C ILE A 51 -6.652 -5.665 -5.569 1.00 1.00 C ATOM 733 O ILE A 51 -6.807 -6.016 -6.739 1.00 1.00 O ATOM 734 CB ILE A 51 -7.547 -3.444 -4.758 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.684 -2.792 -3.915 1.00 1.00 C ATOM 736 CG2 ILE A 51 -7.560 -2.852 -6.197 1.00 1.00 C ATOM 737 CD1 ILE A 51 -8.411 -1.301 -3.677 1.00 1.00 C ATOM 0 H ILE A 51 -7.113 -5.183 -2.805 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.715 -5.176 -5.324 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.579 -3.236 -4.303 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.637 -2.913 -4.430 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.771 -3.306 -2.958 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -7.399 -1.775 -6.149 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.766 -3.311 -6.787 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -8.523 -3.055 -6.665 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -9.221 -0.873 -3.086 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -7.469 -1.185 -3.140 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -8.349 -0.785 -4.635 1.00 1.00 H new ATOM 749 N GLY A 52 -5.514 -5.841 -4.905 1.00 1.00 N ATOM 750 CA GLY A 52 -4.361 -6.487 -5.537 1.00 1.00 C ATOM 751 C GLY A 52 -3.291 -6.799 -4.511 1.00 1.00 C ATOM 752 O GLY A 52 -3.218 -6.160 -3.461 1.00 1.00 O ATOM 0 H GLY A 52 -5.362 -5.550 -3.939 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.678 -7.406 -6.030 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -3.952 -5.836 -6.310 1.00 1.00 H new ATOM 756 N ARG A 53 -2.456 -7.787 -4.816 1.00 1.00 N ATOM 757 CA ARG A 53 -1.374 -8.197 -3.909 1.00 1.00 C ATOM 758 C ARG A 53 -0.176 -8.704 -4.703 1.00 1.00 C ATOM 759 O ARG A 53 -0.286 -9.057 -5.877 1.00 1.00 O ATOM 760 CB ARG A 53 -1.890 -9.295 -2.947 1.00 1.00 C ATOM 761 CG ARG A 53 -2.475 -10.487 -3.744 1.00 1.00 C ATOM 762 CD ARG A 53 -2.987 -11.573 -2.776 1.00 1.00 C ATOM 763 NE ARG A 53 -1.874 -12.098 -1.971 1.00 1.00 N ATOM 764 CZ ARG A 53 -0.927 -12.896 -2.488 1.00 1.00 C ATOM 765 NH1 ARG A 53 -0.974 -13.260 -3.743 1.00 1.00 N ATOM 766 NH2 ARG A 53 0.047 -13.313 -1.731 1.00 1.00 N ATOM 0 H ARG A 53 -2.503 -8.323 -5.683 1.00 1.00 H new ATOM 0 HA ARG A 53 -1.054 -7.334 -3.325 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -1.075 -9.641 -2.311 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.654 -8.880 -2.289 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -3.290 -10.143 -4.381 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.712 -10.905 -4.401 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -3.754 -11.157 -2.123 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -3.453 -12.382 -3.338 1.00 1.00 H new ATOM 0 HE ARG A 53 -1.820 -11.847 -0.984 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -1.736 -12.937 -4.339 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -0.249 -13.867 -4.126 1.00 1.00 H new ATOM 0 HH21 ARG A 53 0.087 -13.033 -0.751 1.00 1.00 H new ATOM 0 HH22 ARG A 53 0.770 -13.920 -2.118 1.00 1.00 H new ATOM 780 N ASP A 54 0.976 -8.741 -4.042 1.00 1.00 N ATOM 781 CA ASP A 54 2.212 -9.214 -4.678 1.00 1.00 C ATOM 782 C ASP A 54 3.242 -9.596 -3.609 1.00 1.00 C ATOM 783 O ASP A 54 3.738 -8.736 -2.880 1.00 1.00 O ATOM 784 CB ASP A 54 2.776 -8.102 -5.587 1.00 1.00 C ATOM 785 CG ASP A 54 4.009 -8.592 -6.359 1.00 1.00 C ATOM 786 OD1 ASP A 54 3.850 -9.471 -7.190 1.00 1.00 O ATOM 787 OD2 ASP A 54 5.088 -8.080 -6.107 1.00 1.00 O ATOM 0 H ASP A 54 1.085 -8.452 -3.070 1.00 1.00 H new ATOM 0 HA ASP A 54 1.994 -10.096 -5.280 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.008 -7.778 -6.290 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.042 -7.234 -4.983 1.00 1.00 H new ATOM 792 N THR A 55 3.571 -10.882 -3.537 1.00 1.00 N ATOM 793 CA THR A 55 4.556 -11.368 -2.560 1.00 1.00 C ATOM 794 C THR A 55 5.963 -11.150 -3.105 1.00 1.00 C ATOM 795 O THR A 55 6.219 -11.353 -4.292 1.00 1.00 O ATOM 796 CB THR A 55 4.313 -12.869 -2.253 1.00 1.00 C ATOM 797 OG1 THR A 55 2.954 -13.046 -1.887 1.00 1.00 O ATOM 798 CG2 THR A 55 5.207 -13.348 -1.088 1.00 1.00 C ATOM 0 H THR A 55 3.176 -11.607 -4.136 1.00 1.00 H new ATOM 0 HA THR A 55 4.447 -10.810 -1.630 1.00 1.00 H new ATOM 0 HB THR A 55 4.556 -13.451 -3.142 1.00 1.00 H new ATOM 0 HG1 THR A 55 2.788 -13.992 -1.692 1.00 1.00 H new ATOM 0 HG21 THR A 55 5.017 -14.403 -0.893 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.255 -13.211 -1.354 1.00 1.00 H new ATOM 0 HG23 THR A 55 4.981 -12.768 -0.193 1.00 1.00 H new ATOM 806 N ILE A 56 6.875 -10.750 -2.224 1.00 1.00 N ATOM 807 CA ILE A 56 8.261 -10.498 -2.626 1.00 1.00 C ATOM 808 C ILE A 56 9.027 -11.826 -2.699 1.00 1.00 C ATOM 809 O ILE A 56 8.747 -12.749 -1.935 1.00 1.00 O ATOM 810 CB ILE A 56 8.951 -9.532 -1.619 1.00 1.00 C ATOM 811 CG1 ILE A 56 8.036 -8.301 -1.326 1.00 1.00 C ATOM 812 CG2 ILE A 56 10.322 -9.070 -2.180 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.664 -7.512 -2.597 1.00 1.00 C ATOM 0 H ILE A 56 6.685 -10.593 -1.234 1.00 1.00 H new ATOM 0 HA ILE A 56 8.265 -10.029 -3.610 1.00 1.00 H new ATOM 0 HB ILE A 56 9.117 -10.063 -0.682 1.00 1.00 H new ATOM 0 HG12 ILE A 56 7.124 -8.642 -0.836 1.00 1.00 H new ATOM 0 HG13 ILE A 56 8.544 -7.636 -0.627 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.797 -8.395 -1.469 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.961 -9.938 -2.339 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.172 -8.552 -3.127 1.00 1.00 H new ATOM 0 HD11 ILE A 56 7.027 -6.669 -2.329 1.00 1.00 H new ATOM 0 HD12 ILE A 56 8.572 -7.144 -3.075 1.00 1.00 H new ATOM 0 HD13 ILE A 56 7.130 -8.165 -3.287 1.00 1.00 H new ATOM 825 N SER A 57 9.989 -11.908 -3.613 1.00 1.00 N ATOM 826 CA SER A 57 10.788 -13.132 -3.766 1.00 1.00 C ATOM 827 C SER A 57 11.613 -13.393 -2.510 1.00 1.00 C ATOM 828 O SER A 57 11.668 -14.513 -2.001 1.00 1.00 O ATOM 829 CB SER A 57 11.723 -12.991 -4.973 1.00 1.00 C ATOM 830 OG SER A 57 12.487 -14.181 -5.111 1.00 1.00 O ATOM 0 H SER A 57 10.237 -11.155 -4.255 1.00 1.00 H new ATOM 0 HA SER A 57 10.111 -13.972 -3.922 1.00 1.00 H new ATOM 0 HB2 SER A 57 11.144 -12.809 -5.878 1.00 1.00 H new ATOM 0 HB3 SER A 57 12.383 -12.134 -4.839 1.00 1.00 H new ATOM 0 HG SER A 57 13.086 -14.098 -5.882 1.00 1.00 H new ATOM 836 N ARG A 58 12.262 -12.342 -2.019 1.00 1.00 N ATOM 837 CA ARG A 58 13.100 -12.447 -0.818 1.00 1.00 C ATOM 838 C ARG A 58 13.454 -11.049 -0.281 1.00 1.00 C ATOM 839 O ARG A 58 13.795 -10.144 -1.041 1.00 1.00 O ATOM 840 CB ARG A 58 14.376 -13.260 -1.152 1.00 1.00 C ATOM 841 CG ARG A 58 15.147 -12.602 -2.319 1.00 1.00 C ATOM 842 CD ARG A 58 16.384 -13.437 -2.687 1.00 1.00 C ATOM 843 NE ARG A 58 17.093 -12.796 -3.798 1.00 1.00 N ATOM 844 CZ ARG A 58 18.196 -13.320 -4.341 1.00 1.00 C ATOM 845 NH1 ARG A 58 18.692 -14.445 -3.892 1.00 1.00 N ATOM 846 NH2 ARG A 58 18.783 -12.703 -5.328 1.00 1.00 N ATOM 0 H ARG A 58 12.227 -11.409 -2.429 1.00 1.00 H new ATOM 0 HA ARG A 58 12.548 -12.967 -0.035 1.00 1.00 H new ATOM 0 HB2 ARG A 58 15.017 -13.319 -0.272 1.00 1.00 H new ATOM 0 HB3 ARG A 58 14.104 -14.282 -1.418 1.00 1.00 H new ATOM 0 HG2 ARG A 58 14.494 -12.507 -3.186 1.00 1.00 H new ATOM 0 HG3 ARG A 58 15.452 -11.594 -2.038 1.00 1.00 H new ATOM 0 HD2 ARG A 58 17.044 -13.528 -1.824 1.00 1.00 H new ATOM 0 HD3 ARG A 58 16.084 -14.447 -2.967 1.00 1.00 H new ATOM 0 HE ARG A 58 16.731 -11.918 -4.170 1.00 1.00 H new ATOM 0 HH11 ARG A 58 18.236 -14.931 -3.120 1.00 1.00 H new ATOM 0 HH12 ARG A 58 19.534 -14.836 -4.314 1.00 1.00 H new ATOM 0 HH21 ARG A 58 18.400 -11.826 -5.681 1.00 1.00 H new ATOM 0 HH22 ARG A 58 19.625 -13.097 -5.747 1.00 1.00 H new ATOM 860 N ILE A 59 13.378 -10.895 1.038 1.00 1.00 N ATOM 861 CA ILE A 59 13.689 -9.589 1.693 1.00 1.00 C ATOM 862 C ILE A 59 14.890 -9.734 2.678 1.00 1.00 C ATOM 863 O ILE A 59 14.762 -10.496 3.637 1.00 1.00 O ATOM 864 CB ILE A 59 12.434 -9.054 2.458 1.00 1.00 C ATOM 865 CG1 ILE A 59 11.223 -8.987 1.471 1.00 1.00 C ATOM 866 CG2 ILE A 59 12.733 -7.623 3.029 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.921 -8.661 2.213 1.00 1.00 C ATOM 0 H ILE A 59 13.109 -11.637 1.684 1.00 1.00 H new ATOM 0 HA ILE A 59 13.963 -8.876 0.915 1.00 1.00 H new ATOM 0 HB ILE A 59 12.195 -9.723 3.285 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.411 -8.229 0.711 1.00 1.00 H new ATOM 0 HG13 ILE A 59 11.120 -9.940 0.952 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.857 -7.253 3.561 1.00 1.00 H new ATOM 0 HG22 ILE A 59 13.579 -7.674 3.714 1.00 1.00 H new ATOM 0 HG23 ILE A 59 12.971 -6.946 2.208 1.00 1.00 H new ATOM 0 HD11 ILE A 59 9.097 -8.621 1.501 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.722 -9.434 2.955 1.00 1.00 H new ATOM 0 HD13 ILE A 59 10.018 -7.696 2.711 1.00 1.00 H new ATOM 879 N PRO A 60 15.980 -9.045 2.477 1.00 1.00 N ATOM 880 CA PRO A 60 17.157 -9.172 3.416 1.00 1.00 C ATOM 881 C PRO A 60 16.903 -8.447 4.746 1.00 1.00 C ATOM 882 O PRO A 60 16.011 -7.605 4.848 1.00 1.00 O ATOM 883 CB PRO A 60 18.326 -8.559 2.603 1.00 1.00 C ATOM 884 CG PRO A 60 17.667 -7.474 1.799 1.00 1.00 C ATOM 885 CD PRO A 60 16.289 -8.057 1.391 1.00 1.00 C ATOM 0 HA PRO A 60 17.362 -10.199 3.718 1.00 1.00 H new ATOM 0 HB2 PRO A 60 19.102 -8.159 3.256 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.801 -9.301 1.961 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.552 -6.563 2.386 1.00 1.00 H new ATOM 0 HG3 PRO A 60 18.261 -7.216 0.923 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.528 -7.279 1.330 1.00 1.00 H new ATOM 0 HD3 PRO A 60 16.332 -8.538 0.414 1.00 1.00 H new ATOM 893 N VAL A 61 17.698 -8.786 5.755 1.00 1.00 N ATOM 894 CA VAL A 61 17.561 -8.175 7.087 1.00 1.00 C ATOM 895 C VAL A 61 17.960 -6.694 7.040 1.00 1.00 C ATOM 896 O VAL A 61 18.949 -6.334 6.402 1.00 1.00 O ATOM 897 CB VAL A 61 18.437 -8.958 8.106 1.00 1.00 C ATOM 898 CG1 VAL A 61 19.938 -8.881 7.729 1.00 1.00 C ATOM 899 CG2 VAL A 61 18.227 -8.413 9.543 1.00 1.00 C ATOM 0 H VAL A 61 18.444 -9.478 5.684 1.00 1.00 H new ATOM 0 HA VAL A 61 16.520 -8.228 7.406 1.00 1.00 H new ATOM 0 HB VAL A 61 18.125 -10.002 8.074 1.00 1.00 H new ATOM 0 HG11 VAL A 61 20.526 -9.437 8.459 1.00 1.00 H new ATOM 0 HG12 VAL A 61 20.087 -9.312 6.739 1.00 1.00 H new ATOM 0 HG13 VAL A 61 20.259 -7.839 7.723 1.00 1.00 H new ATOM 0 HG21 VAL A 61 18.849 -8.975 10.240 1.00 1.00 H new ATOM 0 HG22 VAL A 61 18.505 -7.360 9.577 1.00 1.00 H new ATOM 0 HG23 VAL A 61 17.179 -8.521 9.824 1.00 1.00 H new ATOM 909 N GLY A 62 17.186 -5.848 7.712 1.00 1.00 N ATOM 910 CA GLY A 62 17.461 -4.416 7.751 1.00 1.00 C ATOM 911 C GLY A 62 17.140 -3.788 6.415 1.00 1.00 C ATOM 912 O GLY A 62 17.561 -2.667 6.129 1.00 1.00 O ATOM 0 H GLY A 62 16.360 -6.131 8.239 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.867 -3.945 8.535 1.00 1.00 H new ATOM 0 HA3 GLY A 62 18.509 -4.246 7.999 1.00 1.00 H new ATOM 916 N GLY A 63 16.381 -4.507 5.596 1.00 1.00 N ATOM 917 CA GLY A 63 15.973 -4.047 4.255 1.00 1.00 C ATOM 918 C GLY A 63 14.475 -3.805 4.214 1.00 1.00 C ATOM 919 O GLY A 63 13.798 -3.789 5.240 1.00 1.00 O ATOM 0 H GLY A 63 16.024 -5.432 5.836 1.00 1.00 H new ATOM 0 HA2 GLY A 63 16.504 -3.129 4.001 1.00 1.00 H new ATOM 0 HA3 GLY A 63 16.248 -4.792 3.508 1.00 1.00 H new ATOM 923 N THR A 64 13.959 -3.607 3.005 1.00 1.00 N ATOM 924 CA THR A 64 12.522 -3.340 2.787 1.00 1.00 C ATOM 925 C THR A 64 12.022 -4.072 1.549 1.00 1.00 C ATOM 926 O THR A 64 12.723 -4.895 0.962 1.00 1.00 O ATOM 927 CB THR A 64 12.278 -1.826 2.619 1.00 1.00 C ATOM 928 OG1 THR A 64 12.843 -1.400 1.386 1.00 1.00 O ATOM 929 CG2 THR A 64 12.931 -1.045 3.775 1.00 1.00 C ATOM 0 H THR A 64 14.512 -3.625 2.148 1.00 1.00 H new ATOM 0 HA THR A 64 11.975 -3.700 3.658 1.00 1.00 H new ATOM 0 HB THR A 64 11.205 -1.635 2.628 1.00 1.00 H new ATOM 0 HG1 THR A 64 12.690 -0.439 1.271 1.00 1.00 H new ATOM 0 HG21 THR A 64 12.750 0.022 3.642 1.00 1.00 H new ATOM 0 HG22 THR A 64 12.501 -1.370 4.722 1.00 1.00 H new ATOM 0 HG23 THR A 64 14.005 -1.233 3.780 1.00 1.00 H new ATOM 937 N GLY A 65 10.796 -3.748 1.149 1.00 1.00 N ATOM 938 CA GLY A 65 10.163 -4.367 -0.024 1.00 1.00 C ATOM 939 C GLY A 65 9.358 -3.339 -0.796 1.00 1.00 C ATOM 940 O GLY A 65 8.789 -2.409 -0.223 1.00 1.00 O ATOM 0 H GLY A 65 10.213 -3.056 1.620 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.926 -4.800 -0.670 1.00 1.00 H new ATOM 0 HA3 GLY A 65 9.514 -5.183 0.294 1.00 1.00 H new ATOM 944 N LEU A 66 9.311 -3.513 -2.113 1.00 1.00 N ATOM 945 CA LEU A 66 8.560 -2.573 -2.989 1.00 1.00 C ATOM 946 C LEU A 66 7.536 -3.351 -3.831 1.00 1.00 C ATOM 947 O LEU A 66 7.892 -4.161 -4.688 1.00 1.00 O ATOM 948 CB LEU A 66 9.566 -1.786 -3.901 1.00 1.00 C ATOM 949 CG LEU A 66 9.074 -0.326 -4.213 1.00 1.00 C ATOM 950 CD1 LEU A 66 7.675 -0.345 -4.878 1.00 1.00 C ATOM 951 CD2 LEU A 66 9.049 0.574 -2.918 1.00 1.00 C ATOM 0 H LEU A 66 9.771 -4.278 -2.606 1.00 1.00 H new ATOM 0 HA LEU A 66 8.017 -1.853 -2.377 1.00 1.00 H new ATOM 0 HB2 LEU A 66 10.539 -1.742 -3.411 1.00 1.00 H new ATOM 0 HB3 LEU A 66 9.705 -2.328 -4.837 1.00 1.00 H new ATOM 0 HG LEU A 66 9.789 0.111 -4.910 1.00 1.00 H new ATOM 0 HD11 LEU A 66 7.356 0.677 -5.084 1.00 1.00 H new ATOM 0 HD12 LEU A 66 7.724 -0.905 -5.812 1.00 1.00 H new ATOM 0 HD13 LEU A 66 6.959 -0.820 -4.207 1.00 1.00 H new ATOM 0 HD21 LEU A 66 8.703 1.575 -3.177 1.00 1.00 H new ATOM 0 HD22 LEU A 66 8.374 0.136 -2.183 1.00 1.00 H new ATOM 0 HD23 LEU A 66 10.053 0.634 -2.497 1.00 1.00 H new ATOM 963 N ALA A 67 6.261 -3.081 -3.577 1.00 1.00 N ATOM 964 CA ALA A 67 5.156 -3.736 -4.298 1.00 1.00 C ATOM 965 C ALA A 67 4.509 -2.739 -5.253 1.00 1.00 C ATOM 966 O ALA A 67 4.538 -1.528 -5.029 1.00 1.00 O ATOM 967 CB ALA A 67 4.112 -4.244 -3.283 1.00 1.00 C ATOM 0 H ALA A 67 5.957 -2.409 -2.873 1.00 1.00 H new ATOM 0 HA ALA A 67 5.541 -4.580 -4.870 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.293 -4.729 -3.815 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.580 -4.960 -2.607 1.00 1.00 H new ATOM 0 HB3 ALA A 67 3.724 -3.403 -2.709 1.00 1.00 H new ATOM 973 N ARG A 68 3.903 -3.265 -6.312 1.00 1.00 N ATOM 974 CA ARG A 68 3.229 -2.408 -7.320 1.00 1.00 C ATOM 975 C ARG A 68 1.790 -2.874 -7.507 1.00 1.00 C ATOM 976 O ARG A 68 1.540 -4.024 -7.871 1.00 1.00 O ATOM 977 CB ARG A 68 3.996 -2.470 -8.666 1.00 1.00 C ATOM 978 CG ARG A 68 3.399 -1.464 -9.689 1.00 1.00 C ATOM 979 CD ARG A 68 4.163 -1.535 -11.025 1.00 1.00 C ATOM 980 NE ARG A 68 5.575 -1.178 -10.828 1.00 1.00 N ATOM 981 CZ ARG A 68 5.979 0.080 -10.594 1.00 1.00 C ATOM 982 NH1 ARG A 68 5.116 1.060 -10.554 1.00 1.00 N ATOM 983 NH2 ARG A 68 7.245 0.327 -10.411 1.00 1.00 N ATOM 0 H ARG A 68 3.856 -4.265 -6.506 1.00 1.00 H new ATOM 0 HA ARG A 68 3.224 -1.375 -6.971 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.049 -2.245 -8.500 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.946 -3.480 -9.072 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.345 -1.687 -9.854 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.452 -0.452 -9.286 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.090 -2.540 -11.440 1.00 1.00 H new ATOM 0 HD3 ARG A 68 3.708 -0.858 -11.748 1.00 1.00 H new ATOM 0 HE ARG A 68 6.277 -1.917 -10.871 1.00 1.00 H new ATOM 0 HH11 ARG A 68 4.124 0.873 -10.701 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.434 2.013 -10.375 1.00 1.00 H new ATOM 0 HH21 ARG A 68 7.923 -0.434 -10.446 1.00 1.00 H new ATOM 0 HH22 ARG A 68 7.558 1.281 -10.233 1.00 1.00 H new ATOM 997 N VAL A 69 0.848 -1.968 -7.265 1.00 1.00 N ATOM 998 CA VAL A 69 -0.585 -2.275 -7.423 1.00 1.00 C ATOM 999 C VAL A 69 -1.279 -1.117 -8.147 1.00 1.00 C ATOM 1000 O VAL A 69 -1.129 0.049 -7.787 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.251 -2.522 -6.039 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.741 -2.941 -6.223 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.483 -3.635 -5.285 1.00 1.00 C ATOM 0 H VAL A 69 1.042 -1.015 -6.959 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.688 -3.184 -8.015 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.216 -1.599 -5.459 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.195 -3.111 -5.246 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.281 -2.148 -6.741 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.791 -3.858 -6.811 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -0.951 -3.807 -4.316 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.509 -4.555 -5.869 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.553 -3.328 -5.139 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.060 -1.466 -9.163 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.801 -0.464 -9.960 1.00 1.00 C ATOM 1015 C GLN A 70 -4.297 -0.588 -9.690 1.00 1.00 C ATOM 1016 O GLN A 70 -4.833 -1.694 -9.606 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.515 -0.689 -11.462 1.00 1.00 C ATOM 1018 CG GLN A 70 -1.012 -0.467 -11.750 1.00 1.00 C ATOM 1019 CD GLN A 70 -0.714 -0.664 -13.236 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -1.318 -1.519 -13.884 1.00 1.00 O ATOM 1021 NE2 GLN A 70 0.192 0.080 -13.812 1.00 1.00 N ATOM 0 H GLN A 70 -2.204 -2.430 -9.463 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.475 0.537 -9.677 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -2.804 -1.700 -11.749 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -3.114 -0.004 -12.062 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -0.723 0.539 -11.446 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -0.416 -1.163 -11.159 1.00 1.00 H new ATOM 0 HE21 GLN A 70 0.690 0.787 -13.272 1.00 1.00 H new ATOM 0 HE22 GLN A 70 0.401 -0.046 -14.802 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.967 0.552 -9.566 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.417 0.590 -9.313 1.00 1.00 C ATOM 1032 C TRP A 71 -7.068 1.693 -10.158 1.00 1.00 C ATOM 1033 O TRP A 71 -6.594 2.828 -10.224 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.693 0.841 -7.812 1.00 1.00 C ATOM 1035 CG TRP A 71 -8.181 0.879 -7.560 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -9.035 -0.147 -7.793 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.993 1.985 -7.076 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -10.319 0.265 -7.483 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -10.344 1.569 -7.034 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.689 3.295 -6.670 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -11.359 2.425 -6.609 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -9.708 4.162 -6.240 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -11.040 3.726 -6.211 1.00 1.00 C ATOM 0 H TRP A 71 -4.533 1.472 -9.636 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.847 -0.372 -9.592 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -6.234 0.054 -7.213 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -6.239 1.783 -7.503 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.759 -1.125 -8.160 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -11.147 -0.324 -7.575 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -7.665 3.638 -6.688 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -12.384 2.085 -6.588 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -9.464 5.168 -5.931 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -11.820 4.396 -5.881 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.179 1.335 -10.796 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.919 2.285 -11.634 1.00 1.00 C ATOM 1056 C LYS A 72 -9.938 3.047 -10.777 1.00 1.00 C ATOM 1057 O LYS A 72 -10.826 2.442 -10.176 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.633 1.510 -12.765 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.277 2.485 -13.782 1.00 1.00 C ATOM 1060 CD LYS A 72 -11.005 1.715 -14.917 1.00 1.00 C ATOM 1061 CE LYS A 72 -10.018 0.911 -15.804 1.00 1.00 C ATOM 1062 NZ LYS A 72 -10.707 0.541 -17.070 1.00 1.00 N ATOM 0 H LYS A 72 -8.588 0.401 -10.752 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.231 3.007 -12.075 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.919 0.865 -13.276 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.400 0.863 -12.340 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.985 3.135 -13.268 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.508 3.128 -14.211 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -11.737 1.035 -14.481 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.556 2.421 -15.538 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -9.130 1.507 -16.017 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -9.683 0.016 -15.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -10.056 0.001 -17.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -11.542 -0.041 -16.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -11.006 1.404 -17.568 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.815 4.371 -10.746 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.744 5.187 -9.957 1.00 1.00 C ATOM 1078 C ALA A 73 -12.128 5.170 -10.617 1.00 1.00 C ATOM 1079 O ALA A 73 -12.270 5.549 -11.781 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.213 6.631 -9.869 1.00 1.00 C ATOM 0 H ALA A 73 -9.098 4.897 -11.246 1.00 1.00 H new ATOM 0 HA ALA A 73 -10.827 4.778 -8.950 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.903 7.237 -9.283 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.234 6.630 -9.390 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -10.126 7.048 -10.872 1.00 1.00 H new ATOM 1086 N THR A 74 -13.140 4.745 -9.867 1.00 1.00 N ATOM 1087 CA THR A 74 -14.509 4.677 -10.390 1.00 1.00 C ATOM 1088 C THR A 74 -15.502 4.425 -9.255 1.00 1.00 C ATOM 1089 O THR A 74 -15.163 4.536 -8.078 1.00 1.00 O ATOM 1090 CB THR A 74 -14.606 3.553 -11.452 1.00 1.00 C ATOM 1091 OG1 THR A 74 -15.927 3.508 -11.972 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.251 2.176 -10.845 1.00 1.00 C ATOM 0 H THR A 74 -13.043 4.442 -8.898 1.00 1.00 H new ATOM 0 HA THR A 74 -14.759 5.630 -10.857 1.00 1.00 H new ATOM 0 HB THR A 74 -13.894 3.773 -12.247 1.00 1.00 H new ATOM 0 HG1 THR A 74 -15.990 2.799 -12.645 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.328 1.408 -11.615 1.00 1.00 H new ATOM 0 HG22 THR A 74 -13.232 2.201 -10.458 1.00 1.00 H new ATOM 0 HG23 THR A 74 -14.942 1.947 -10.034 1.00 1.00 H new ATOM 1254 N GLY A 85 -12.397 13.302 -1.283 1.00 1.00 N ATOM 1255 CA GLY A 85 -11.943 12.600 -0.082 1.00 1.00 C ATOM 1256 C GLY A 85 -11.846 11.101 -0.339 1.00 1.00 C ATOM 1257 O GLY A 85 -12.729 10.326 0.027 1.00 1.00 O ATOM 0 HA2 GLY A 85 -10.971 12.985 0.225 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -12.634 12.789 0.739 1.00 1.00 H new ATOM 1261 N VAL A 86 -10.748 10.703 -0.971 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.500 9.280 -1.304 1.00 1.00 C ATOM 1263 C VAL A 86 -9.242 8.796 -0.558 1.00 1.00 C ATOM 1264 O VAL A 86 -8.173 8.766 -1.168 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.316 9.131 -2.844 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -10.154 7.635 -3.234 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -11.559 9.707 -3.562 1.00 1.00 C ATOM 0 H VAL A 86 -10.006 11.337 -1.269 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.349 8.671 -0.995 1.00 1.00 H new ATOM 0 HB VAL A 86 -9.419 9.673 -3.144 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -10.027 7.552 -4.313 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -9.279 7.221 -2.733 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -11.042 7.081 -2.930 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.436 9.606 -4.640 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.448 9.161 -3.245 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.671 10.761 -3.307 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.340 8.417 0.688 1.00 1.00 N ATOM 1278 CA PRO A 87 -8.152 7.926 1.462 1.00 1.00 C ATOM 1279 C PRO A 87 -7.791 6.495 1.072 1.00 1.00 C ATOM 1280 O PRO A 87 -8.605 5.756 0.520 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.614 8.044 2.937 1.00 1.00 C ATOM 1282 CG PRO A 87 -10.090 7.771 2.871 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.569 8.409 1.548 1.00 1.00 C ATOM 0 HA PRO A 87 -7.243 8.495 1.270 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -8.102 7.324 3.576 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.408 9.034 3.343 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -10.292 6.700 2.886 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.608 8.205 3.726 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.372 7.830 1.092 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -10.953 9.417 1.706 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.556 6.109 1.384 1.00 1.00 N ATOM 1292 CA VAL A 88 -6.045 4.756 1.077 1.00 1.00 C ATOM 1293 C VAL A 88 -5.562 4.079 2.351 1.00 1.00 C ATOM 1294 O VAL A 88 -5.256 4.731 3.349 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.893 4.861 0.041 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -5.441 5.415 -1.297 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -3.781 5.801 0.568 1.00 1.00 C ATOM 0 H VAL A 88 -5.879 6.712 1.852 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.847 4.152 0.652 1.00 1.00 H new ATOM 0 HB VAL A 88 -4.475 3.867 -0.118 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -4.629 5.487 -2.021 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -6.211 4.745 -1.680 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -5.870 6.404 -1.133 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -2.980 5.865 -0.168 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -4.196 6.794 0.741 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -3.384 5.406 1.503 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.500 2.752 2.307 1.00 1.00 N ATOM 1308 CA TYR A 89 -5.050 1.953 3.458 1.00 1.00 C ATOM 1309 C TYR A 89 -4.267 0.738 2.977 1.00 1.00 C ATOM 1310 O TYR A 89 -4.517 0.188 1.904 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.267 1.499 4.294 1.00 1.00 C ATOM 1312 CG TYR A 89 -6.944 2.724 4.925 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.505 3.209 6.175 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -7.995 3.385 4.261 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -7.111 4.333 6.748 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.598 4.506 4.844 1.00 1.00 C ATOM 1317 CZ TYR A 89 -8.157 4.979 6.083 1.00 1.00 C ATOM 1318 OH TYR A 89 -8.749 6.092 6.645 1.00 1.00 O ATOM 0 H TYR A 89 -5.755 2.200 1.488 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.401 2.567 4.082 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -6.976 0.964 3.662 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -5.948 0.806 5.072 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.698 2.711 6.692 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.336 3.027 3.301 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -6.770 4.701 7.704 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.407 5.007 4.334 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.458 6.419 6.053 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.316 0.313 3.802 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.476 -0.844 3.481 1.00 1.00 C ATOM 1330 C ALA A 90 -2.065 -1.561 4.764 1.00 1.00 C ATOM 1331 O ALA A 90 -1.678 -0.926 5.746 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.224 -0.361 2.721 1.00 1.00 C ATOM 0 H ALA A 90 -3.105 0.750 4.699 1.00 1.00 H new ATOM 0 HA ALA A 90 -3.035 -1.541 2.857 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.593 -1.216 2.478 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.527 0.139 1.801 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.665 0.336 3.346 1.00 1.00 H new ATOM 1338 N VAL A 91 -2.136 -2.888 4.742 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.773 -3.713 5.911 1.00 1.00 C ATOM 1340 C VAL A 91 -0.973 -4.927 5.454 1.00 1.00 C ATOM 1341 O VAL A 91 -1.219 -5.502 4.394 1.00 1.00 O ATOM 1342 CB VAL A 91 -3.049 -4.167 6.675 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.666 -4.931 7.972 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.899 -2.928 7.045 1.00 1.00 C ATOM 0 H VAL A 91 -2.441 -3.425 3.930 1.00 1.00 H new ATOM 0 HA VAL A 91 -1.162 -3.116 6.588 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.622 -4.832 6.030 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.572 -5.241 8.493 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -2.076 -5.811 7.715 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -2.080 -4.278 8.619 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.793 -3.247 7.580 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.314 -2.262 7.680 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.189 -2.401 6.136 1.00 1.00 H new ATOM 1354 N VAL A 92 -0.007 -5.314 6.280 1.00 1.00 N ATOM 1355 CA VAL A 92 0.852 -6.466 5.995 1.00 1.00 C ATOM 1356 C VAL A 92 0.291 -7.714 6.681 1.00 1.00 C ATOM 1357 O VAL A 92 -0.172 -7.660 7.821 1.00 1.00 O ATOM 1358 CB VAL A 92 2.294 -6.163 6.491 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.864 -4.956 5.705 1.00 1.00 C ATOM 1360 CG2 VAL A 92 2.295 -5.837 8.005 1.00 1.00 C ATOM 0 H VAL A 92 0.205 -4.845 7.160 1.00 1.00 H new ATOM 0 HA VAL A 92 0.880 -6.651 4.921 1.00 1.00 H new ATOM 0 HB VAL A 92 2.914 -7.044 6.323 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.875 -4.741 6.051 1.00 1.00 H new ATOM 0 HG12 VAL A 92 2.887 -5.193 4.641 1.00 1.00 H new ATOM 0 HG13 VAL A 92 2.232 -4.084 5.869 1.00 1.00 H new ATOM 0 HG21 VAL A 92 3.314 -5.628 8.332 1.00 1.00 H new ATOM 0 HG22 VAL A 92 1.669 -4.964 8.190 1.00 1.00 H new ATOM 0 HG23 VAL A 92 1.903 -6.689 8.561 1.00 1.00 H new ATOM 1370 N ASP A 93 0.352 -8.840 5.978 1.00 1.00 N ATOM 1371 CA ASP A 93 -0.151 -10.131 6.516 1.00 1.00 C ATOM 1372 C ASP A 93 0.999 -11.158 6.563 1.00 1.00 C ATOM 1373 O ASP A 93 1.091 -11.981 5.653 1.00 1.00 O ATOM 1374 CB ASP A 93 -1.292 -10.641 5.606 1.00 1.00 C ATOM 1375 CG ASP A 93 -1.928 -11.913 6.183 1.00 1.00 C ATOM 1376 OD1 ASP A 93 -2.851 -11.783 6.973 1.00 1.00 O ATOM 1377 OD2 ASP A 93 -1.482 -12.992 5.830 1.00 1.00 O ATOM 0 H ASP A 93 0.740 -8.901 5.037 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.531 -9.991 7.528 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -2.051 -9.866 5.500 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -0.903 -10.845 4.608 1.00 1.00 H new ATOM 1542 N ASN A 105 1.074 -2.442 14.067 1.00 1.00 N ATOM 1543 CA ASN A 105 2.320 -1.638 14.161 1.00 1.00 C ATOM 1544 C ASN A 105 2.978 -1.549 12.785 1.00 1.00 C ATOM 1545 O ASN A 105 4.201 -1.469 12.681 1.00 1.00 O ATOM 1546 CB ASN A 105 3.310 -2.266 15.172 1.00 1.00 C ATOM 1547 CG ASN A 105 2.681 -2.340 16.565 1.00 1.00 C ATOM 1548 OD1 ASN A 105 1.692 -1.658 16.845 1.00 1.00 O ATOM 1549 ND2 ASN A 105 3.203 -3.128 17.462 1.00 1.00 N ATOM 0 HA ASN A 105 2.060 -0.639 14.511 1.00 1.00 H new ATOM 0 HB2 ASN A 105 3.592 -3.265 14.841 1.00 1.00 H new ATOM 0 HB3 ASN A 105 4.224 -1.673 15.211 1.00 1.00 H new ATOM 0 HD21 ASN A 105 2.794 -3.181 18.395 1.00 1.00 H new ATOM 0 HD22 ASN A 105 4.021 -3.692 17.231 1.00 1.00 H new ATOM 1556 N ASN A 106 2.160 -1.537 11.737 1.00 1.00 N ATOM 1557 CA ASN A 106 2.662 -1.465 10.352 1.00 1.00 C ATOM 1558 C ASN A 106 1.540 -1.008 9.404 1.00 1.00 C ATOM 1559 O ASN A 106 1.401 -1.535 8.301 1.00 1.00 O ATOM 1560 CB ASN A 106 3.182 -2.860 9.905 1.00 1.00 C ATOM 1561 CG ASN A 106 4.419 -3.278 10.700 1.00 1.00 C ATOM 1562 OD1 ASN A 106 5.480 -2.671 10.558 1.00 1.00 O ATOM 1563 ND2 ASN A 106 4.347 -4.284 11.530 1.00 1.00 N ATOM 0 H ASN A 106 1.143 -1.576 11.812 1.00 1.00 H new ATOM 0 HA ASN A 106 3.479 -0.744 10.313 1.00 1.00 H new ATOM 0 HB2 ASN A 106 2.395 -3.602 10.038 1.00 1.00 H new ATOM 0 HB3 ASN A 106 3.422 -2.836 8.842 1.00 1.00 H new ATOM 0 HD21 ASN A 106 5.171 -4.567 12.061 1.00 1.00 H new ATOM 0 HD22 ASN A 106 3.467 -4.787 11.647 1.00 1.00 H new ATOM 1570 N VAL A 107 0.767 -0.018 9.837 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.351 0.529 9.024 1.00 1.00 C ATOM 1572 C VAL A 107 -0.020 1.953 8.589 1.00 1.00 C ATOM 1573 O VAL A 107 0.628 2.707 9.316 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.675 0.491 9.842 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -1.557 1.331 11.134 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -2.868 1.013 8.991 1.00 1.00 C ATOM 0 H VAL A 107 0.882 0.433 10.745 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.485 -0.084 8.133 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.859 -0.548 10.114 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -2.497 1.286 11.685 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -0.754 0.934 11.754 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -1.337 2.367 10.876 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -3.782 0.977 9.584 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.675 2.041 8.685 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -2.985 0.387 8.106 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.482 2.316 7.397 1.00 1.00 N ATOM 1587 CA PHE A 108 -0.239 3.660 6.850 1.00 1.00 C ATOM 1588 C PHE A 108 -1.414 4.095 5.982 1.00 1.00 C ATOM 1589 O PHE A 108 -2.131 3.269 5.418 1.00 1.00 O ATOM 1590 CB PHE A 108 1.059 3.648 6.013 1.00 1.00 C ATOM 1591 CG PHE A 108 2.224 3.176 6.892 1.00 1.00 C ATOM 1592 CD1 PHE A 108 2.682 3.996 7.941 1.00 1.00 C ATOM 1593 CD2 PHE A 108 2.841 1.920 6.675 1.00 1.00 C ATOM 1594 CE1 PHE A 108 3.740 3.571 8.758 1.00 1.00 C ATOM 1595 CE2 PHE A 108 3.897 1.504 7.497 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.345 2.328 8.537 1.00 1.00 C ATOM 0 H PHE A 108 -1.026 1.705 6.787 1.00 1.00 H new ATOM 0 HA PHE A 108 -0.133 4.367 7.673 1.00 1.00 H new ATOM 0 HB2 PHE A 108 0.945 2.987 5.154 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.263 4.645 5.623 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.217 4.955 8.117 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.497 1.282 5.875 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.089 4.205 9.560 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.366 0.546 7.328 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.158 2.004 9.169 1.00 1.00 H new ATOM 1606 N SER A 109 -1.593 5.406 5.870 1.00 1.00 N ATOM 1607 CA SER A 109 -2.682 5.967 5.063 1.00 1.00 C ATOM 1608 C SER A 109 -2.384 7.420 4.716 1.00 1.00 C ATOM 1609 O SER A 109 -1.782 8.150 5.504 1.00 1.00 O ATOM 1610 CB SER A 109 -4.000 5.884 5.843 1.00 1.00 C ATOM 1611 OG SER A 109 -5.030 6.521 5.099 1.00 1.00 O ATOM 0 H SER A 109 -1.003 6.103 6.324 1.00 1.00 H new ATOM 0 HA SER A 109 -2.769 5.393 4.141 1.00 1.00 H new ATOM 0 HB2 SER A 109 -4.261 4.842 6.028 1.00 1.00 H new ATOM 0 HB3 SER A 109 -3.890 6.362 6.816 1.00 1.00 H new ATOM 0 HG SER A 109 -5.026 6.183 4.179 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.811 7.836 3.528 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.588 9.223 3.063 1.00 1.00 C ATOM 1619 C ARG A 110 -3.865 9.779 2.422 1.00 1.00 C ATOM 1620 O ARG A 110 -4.473 9.148 1.558 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.427 9.240 2.043 1.00 1.00 C ATOM 1622 CG ARG A 110 -1.074 10.693 1.637 1.00 1.00 C ATOM 1623 CD ARG A 110 0.085 10.704 0.630 1.00 1.00 C ATOM 1624 NE ARG A 110 0.422 12.089 0.287 1.00 1.00 N ATOM 1625 CZ ARG A 110 1.395 12.393 -0.579 1.00 1.00 C ATOM 1626 NH1 ARG A 110 2.090 11.450 -1.164 1.00 1.00 N ATOM 1627 NH2 ARG A 110 1.653 13.644 -0.842 1.00 1.00 N ATOM 0 H ARG A 110 -3.312 7.245 2.864 1.00 1.00 H new ATOM 0 HA ARG A 110 -2.329 9.852 3.915 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -0.551 8.755 2.474 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -1.706 8.668 1.158 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -1.947 11.177 1.200 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -0.800 11.268 2.522 1.00 1.00 H new ATOM 0 HD2 ARG A 110 0.954 10.202 1.054 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -0.194 10.153 -0.268 1.00 1.00 H new ATOM 0 HE ARG A 110 -0.103 12.846 0.724 1.00 1.00 H new ATOM 0 HH11 ARG A 110 1.892 10.470 -0.961 1.00 1.00 H new ATOM 0 HH12 ARG A 110 2.829 11.695 -1.822 1.00 1.00 H new ATOM 0 HH21 ARG A 110 1.114 14.382 -0.389 1.00 1.00 H new ATOM 0 HH22 ARG A 110 2.393 13.884 -1.501 1.00 1.00 H new ATOM 1641 N ILE A 111 -4.248 10.979 2.849 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.447 11.635 2.318 1.00 1.00 C ATOM 1643 C ILE A 111 -5.095 12.294 0.977 1.00 1.00 C ATOM 1644 O ILE A 111 -4.140 13.064 0.873 1.00 1.00 O ATOM 1645 CB ILE A 111 -5.982 12.694 3.344 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -6.581 11.979 4.599 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -7.091 13.593 2.706 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -5.544 11.106 5.327 1.00 1.00 C ATOM 0 H ILE A 111 -3.751 11.518 3.558 1.00 1.00 H new ATOM 0 HA ILE A 111 -6.236 10.900 2.158 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.139 13.320 3.635 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -6.970 12.728 5.289 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -7.423 11.359 4.293 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.441 14.316 3.442 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -6.681 14.121 1.845 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -7.925 12.969 2.385 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.010 10.632 6.191 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -5.173 10.339 4.648 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -4.713 11.729 5.659 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.897 11.994 -0.039 1.00 1.00 N ATOM 1661 CA VAL A 112 -5.689 12.550 -1.396 1.00 1.00 C ATOM 1662 C VAL A 112 -7.013 13.090 -1.942 1.00 1.00 C ATOM 1663 O VAL A 112 -8.069 12.479 -1.787 1.00 1.00 O ATOM 1664 CB VAL A 112 -5.122 11.451 -2.338 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -4.768 12.052 -3.724 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -3.851 10.832 -1.707 1.00 1.00 C ATOM 0 H VAL A 112 -6.700 11.370 0.039 1.00 1.00 H new ATOM 0 HA VAL A 112 -4.971 13.368 -1.344 1.00 1.00 H new ATOM 0 HB VAL A 112 -5.881 10.680 -2.471 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -4.373 11.268 -4.370 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -5.664 12.477 -4.176 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -4.018 12.833 -3.601 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -3.455 10.062 -2.368 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -3.100 11.609 -1.564 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -4.102 10.389 -0.743 1.00 1.00 H new ATOM 1676 N LYS A 113 -6.935 14.247 -2.597 1.00 1.00 N ATOM 1677 CA LYS A 113 -8.124 14.898 -3.186 1.00 1.00 C ATOM 1678 C LYS A 113 -7.841 15.290 -4.637 1.00 1.00 C ATOM 1679 O LYS A 113 -7.064 16.206 -4.909 1.00 1.00 O ATOM 1680 CB LYS A 113 -8.478 16.148 -2.356 1.00 1.00 C ATOM 1681 CG LYS A 113 -8.836 15.734 -0.910 1.00 1.00 C ATOM 1682 CD LYS A 113 -9.214 16.974 -0.071 1.00 1.00 C ATOM 1683 CE LYS A 113 -9.570 16.555 1.368 1.00 1.00 C ATOM 1684 NZ LYS A 113 -9.946 17.763 2.155 1.00 1.00 N ATOM 0 H LYS A 113 -6.065 14.760 -2.738 1.00 1.00 H new ATOM 0 HA LYS A 113 -8.965 14.205 -3.173 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -7.636 16.840 -2.348 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -9.318 16.673 -2.812 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -9.667 15.029 -0.922 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -7.990 15.222 -0.452 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -8.383 17.680 -0.057 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -10.060 17.487 -0.528 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -10.395 15.843 1.358 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -8.721 16.054 1.833 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -10.187 17.483 3.127 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -9.146 18.428 2.174 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -10.768 18.223 1.714 1.00 1.00 H new ATOM 1698 N VAL A 114 -8.492 14.595 -5.566 1.00 1.00 N ATOM 1699 CA VAL A 114 -8.323 14.860 -7.003 1.00 1.00 C ATOM 1700 C VAL A 114 -9.343 15.906 -7.459 1.00 1.00 C ATOM 1701 O VAL A 114 -10.513 15.856 -7.081 1.00 1.00 O ATOM 1702 CB VAL A 114 -8.482 13.530 -7.797 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -9.901 12.934 -7.619 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -8.196 13.759 -9.303 1.00 1.00 C ATOM 0 H VAL A 114 -9.145 13.840 -5.354 1.00 1.00 H new ATOM 0 HA VAL A 114 -7.326 15.256 -7.194 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.758 12.820 -7.398 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -9.980 12.006 -8.186 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -10.080 12.731 -6.563 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -10.643 13.645 -7.983 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -8.312 12.819 -9.842 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -8.897 14.493 -9.699 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -7.177 14.126 -9.428 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.885 16.848 -8.278 1.00 1.00 N ATOM 1715 CA LEU A 115 -9.767 17.914 -8.778 1.00 1.00 C ATOM 1716 C LEU A 115 -10.556 17.399 -9.994 1.00 1.00 C ATOM 1717 O LEU A 115 -10.000 16.783 -10.903 1.00 1.00 O ATOM 1718 CB LEU A 115 -8.919 19.166 -9.152 1.00 1.00 C ATOM 1719 CG LEU A 115 -8.516 20.010 -7.889 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -9.756 20.692 -7.208 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -7.756 19.126 -6.862 1.00 1.00 C ATOM 0 H LEU A 115 -7.922 16.901 -8.610 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.476 18.201 -8.002 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -8.018 18.849 -9.677 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -9.485 19.793 -9.840 1.00 1.00 H new ATOM 0 HG LEU A 115 -7.856 20.806 -8.234 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -9.426 21.263 -6.340 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -10.240 21.360 -7.920 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -10.464 19.926 -6.890 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -7.485 19.728 -5.994 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -8.396 18.302 -6.547 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -6.853 18.727 -7.323 1.00 1.00 H new