USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=15 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 Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -55:sc= 1.21 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.079 (180deg=-0.641) USER MOD Single : A 11 THR OG1 : rot 65:sc= 0.923 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 66:sc= 1.2 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.499 K(o=-0.5,f=-2.6!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.8) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 43 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.0038) USER MOD Single : A 46 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.198 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.1!) 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= -0.402 X(o=-0.4,f=0) USER MOD Single : A 106 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.15) USER MOD Single : A 109 SER OG : rot -130:sc= 1.1 USER MOD Single : A 113 LYS NZ :NH3+ 160:sc= -0.0804 (180deg=-0.604) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 8.325 8.988 2.325 1.00 1.00 N ATOM 33 CA LEU A 3 6.944 8.633 2.686 1.00 1.00 C ATOM 34 C LEU A 3 6.723 7.099 2.607 1.00 1.00 C ATOM 35 O LEU A 3 7.299 6.464 1.724 1.00 1.00 O ATOM 36 CB LEU A 3 5.949 9.373 1.750 1.00 1.00 C ATOM 37 CG LEU A 3 6.062 10.937 1.906 1.00 1.00 C ATOM 38 CD1 LEU A 3 5.403 11.644 0.689 1.00 1.00 C ATOM 39 CD2 LEU A 3 5.364 11.441 3.210 1.00 1.00 C ATOM 0 HA LEU A 3 6.765 8.943 3.716 1.00 1.00 H new ATOM 0 HB2 LEU A 3 6.146 9.095 0.715 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.931 9.056 1.977 1.00 1.00 H new ATOM 0 HG LEU A 3 7.123 11.179 1.960 1.00 1.00 H new ATOM 0 HD11 LEU A 3 5.487 12.724 0.807 1.00 1.00 H new ATOM 0 HD12 LEU A 3 5.909 11.339 -0.227 1.00 1.00 H new ATOM 0 HD13 LEU A 3 4.351 11.366 0.632 1.00 1.00 H new ATOM 0 HD21 LEU A 3 5.464 12.524 3.281 1.00 1.00 H new ATOM 0 HD22 LEU A 3 4.307 11.175 3.183 1.00 1.00 H new ATOM 0 HD23 LEU A 3 5.833 10.976 4.077 1.00 1.00 H new ATOM 51 N PRO A 4 5.932 6.523 3.472 1.00 1.00 N ATOM 52 CA PRO A 4 5.689 5.028 3.449 1.00 1.00 C ATOM 53 C PRO A 4 4.839 4.602 2.243 1.00 1.00 C ATOM 54 O PRO A 4 4.921 3.467 1.772 1.00 1.00 O ATOM 55 CB PRO A 4 4.964 4.769 4.800 1.00 1.00 C ATOM 56 CG PRO A 4 4.201 6.042 5.047 1.00 1.00 C ATOM 57 CD PRO A 4 5.146 7.167 4.575 1.00 1.00 C ATOM 0 HA PRO A 4 6.606 4.448 3.344 1.00 1.00 H new ATOM 0 HB2 PRO A 4 4.298 3.909 4.738 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.673 4.566 5.602 1.00 1.00 H new ATOM 0 HG2 PRO A 4 3.263 6.055 4.492 1.00 1.00 H new ATOM 0 HG3 PRO A 4 3.949 6.154 6.102 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.591 8.035 4.219 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.794 7.512 5.381 1.00 1.00 H new ATOM 65 N ILE A 5 4.009 5.524 1.767 1.00 1.00 N ATOM 66 CA ILE A 5 3.114 5.253 0.608 1.00 1.00 C ATOM 67 C ILE A 5 3.300 6.338 -0.468 1.00 1.00 C ATOM 68 O ILE A 5 3.276 7.533 -0.174 1.00 1.00 O ATOM 69 CB ILE A 5 1.628 5.223 1.090 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.464 4.116 2.184 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.675 4.912 -0.110 1.00 1.00 C ATOM 72 CD1 ILE A 5 0.070 4.184 2.823 1.00 1.00 C ATOM 0 H ILE A 5 3.925 6.465 2.151 1.00 1.00 H new ATOM 0 HA ILE A 5 3.370 4.286 0.176 1.00 1.00 H new ATOM 0 HB ILE A 5 1.368 6.197 1.504 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.617 3.133 1.739 1.00 1.00 H new ATOM 0 HG13 ILE A 5 2.228 4.241 2.952 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.357 4.894 0.240 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.786 5.683 -0.872 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.931 3.942 -0.536 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.021 3.405 3.580 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.070 5.160 3.287 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -0.690 4.035 2.056 1.00 1.00 H new ATOM 84 N THR A 6 3.448 5.904 -1.716 1.00 1.00 N ATOM 85 CA THR A 6 3.614 6.834 -2.865 1.00 1.00 C ATOM 86 C THR A 6 2.692 6.421 -4.019 1.00 1.00 C ATOM 87 O THR A 6 2.694 5.271 -4.457 1.00 1.00 O ATOM 88 CB THR A 6 5.093 6.867 -3.344 1.00 1.00 C ATOM 89 OG1 THR A 6 5.170 7.491 -4.620 1.00 1.00 O ATOM 90 CG2 THR A 6 5.683 5.453 -3.459 1.00 1.00 C ATOM 0 H THR A 6 3.458 4.917 -1.974 1.00 1.00 H new ATOM 0 HA THR A 6 3.340 7.836 -2.535 1.00 1.00 H new ATOM 0 HB THR A 6 5.665 7.427 -2.604 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.103 7.512 -4.918 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.718 5.517 -3.796 1.00 1.00 H new ATOM 0 HG22 THR A 6 5.648 4.964 -2.486 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.102 4.874 -4.177 1.00 1.00 H new ATOM 98 N LEU A 7 1.912 7.380 -4.505 1.00 1.00 N ATOM 99 CA LEU A 7 0.957 7.161 -5.609 1.00 1.00 C ATOM 100 C LEU A 7 1.454 7.854 -6.889 1.00 1.00 C ATOM 101 O LEU A 7 2.045 8.932 -6.840 1.00 1.00 O ATOM 102 CB LEU A 7 -0.405 7.762 -5.166 1.00 1.00 C ATOM 103 CG LEU A 7 -1.032 6.936 -3.966 1.00 1.00 C ATOM 104 CD1 LEU A 7 -1.973 7.825 -3.118 1.00 1.00 C ATOM 105 CD2 LEU A 7 -1.844 5.716 -4.496 1.00 1.00 C ATOM 0 H LEU A 7 1.917 8.336 -4.151 1.00 1.00 H new ATOM 0 HA LEU A 7 0.856 6.098 -5.826 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.267 8.800 -4.864 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -1.096 7.765 -6.009 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.206 6.584 -3.348 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.391 7.237 -2.301 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -1.410 8.664 -2.710 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.781 8.201 -3.745 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -2.264 5.165 -3.654 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -2.651 6.068 -5.139 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -1.186 5.061 -5.066 1.00 1.00 H new ATOM 117 N SER A 8 1.203 7.217 -8.029 1.00 1.00 N ATOM 118 CA SER A 8 1.621 7.772 -9.335 1.00 1.00 C ATOM 119 C SER A 8 0.686 8.907 -9.770 1.00 1.00 C ATOM 120 O SER A 8 0.384 9.061 -10.953 1.00 1.00 O ATOM 121 CB SER A 8 1.627 6.663 -10.400 1.00 1.00 C ATOM 122 OG SER A 8 1.967 7.226 -11.658 1.00 1.00 O ATOM 0 H SER A 8 0.717 6.322 -8.087 1.00 1.00 H new ATOM 0 HA SER A 8 2.628 8.176 -9.229 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.343 5.887 -10.130 1.00 1.00 H new ATOM 0 HB3 SER A 8 0.647 6.188 -10.453 1.00 1.00 H new ATOM 0 HG SER A 8 1.352 7.961 -11.864 1.00 1.00 H new ATOM 128 N LYS A 9 0.227 9.690 -8.798 1.00 1.00 N ATOM 129 CA LYS A 9 -0.682 10.819 -9.067 1.00 1.00 C ATOM 130 C LYS A 9 0.092 11.984 -9.714 1.00 1.00 C ATOM 131 O LYS A 9 -0.028 13.141 -9.313 1.00 1.00 O ATOM 132 CB LYS A 9 -1.361 11.267 -7.739 1.00 1.00 C ATOM 133 CG LYS A 9 -2.688 12.032 -8.005 1.00 1.00 C ATOM 134 CD LYS A 9 -3.368 12.423 -6.657 1.00 1.00 C ATOM 135 CE LYS A 9 -4.817 12.895 -6.896 1.00 1.00 C ATOM 136 NZ LYS A 9 -5.631 11.755 -7.421 1.00 1.00 N ATOM 0 H LYS A 9 0.465 9.570 -7.813 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.457 10.504 -9.765 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.562 10.393 -7.119 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -0.678 11.905 -7.178 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -2.487 12.928 -8.592 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -3.363 11.410 -8.593 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -3.365 11.568 -5.981 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -2.797 13.215 -6.172 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.248 13.266 -5.966 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -4.829 13.722 -7.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -6.635 11.918 -7.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.504 11.683 -8.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -5.320 10.870 -6.972 1.00 1.00 H new ATOM 150 N GLU A 10 0.869 11.651 -10.741 1.00 1.00 N ATOM 151 CA GLU A 10 1.671 12.662 -11.456 1.00 1.00 C ATOM 152 C GLU A 10 0.759 13.739 -12.064 1.00 1.00 C ATOM 153 O GLU A 10 1.051 14.934 -12.017 1.00 1.00 O ATOM 154 CB GLU A 10 2.483 11.963 -12.573 1.00 1.00 C ATOM 155 CG GLU A 10 3.424 10.886 -11.977 1.00 1.00 C ATOM 156 CD GLU A 10 4.486 11.517 -11.071 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.906 12.624 -11.365 1.00 1.00 O ATOM 158 OE2 GLU A 10 4.865 10.880 -10.101 1.00 1.00 O ATOM 0 H GLU A 10 0.966 10.701 -11.100 1.00 1.00 H new ATOM 0 HA GLU A 10 2.350 13.146 -10.754 1.00 1.00 H new ATOM 0 HB2 GLU A 10 1.803 11.502 -13.289 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.069 12.702 -13.120 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.839 10.164 -11.408 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.910 10.337 -12.784 1.00 1.00 H new ATOM 165 N THR A 11 -0.356 13.286 -12.627 1.00 1.00 N ATOM 166 CA THR A 11 -1.352 14.190 -13.258 1.00 1.00 C ATOM 167 C THR A 11 -2.706 14.128 -12.492 1.00 1.00 C ATOM 168 O THR A 11 -3.567 13.336 -12.877 1.00 1.00 O ATOM 169 CB THR A 11 -1.571 13.746 -14.714 1.00 1.00 C ATOM 170 OG1 THR A 11 -2.102 12.433 -14.715 1.00 1.00 O ATOM 171 CG2 THR A 11 -0.242 13.746 -15.492 1.00 1.00 C ATOM 0 H THR A 11 -0.607 12.298 -12.667 1.00 1.00 H new ATOM 0 HA THR A 11 -0.979 15.214 -13.225 1.00 1.00 H new ATOM 0 HB THR A 11 -2.258 14.442 -15.195 1.00 1.00 H new ATOM 0 HG1 THR A 11 -2.993 12.440 -14.306 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.422 13.429 -16.519 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.180 14.751 -15.491 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.458 13.058 -15.017 1.00 1.00 H new ATOM 179 N PRO A 12 -2.898 14.918 -11.472 1.00 1.00 N ATOM 180 CA PRO A 12 -4.201 14.892 -10.697 1.00 1.00 C ATOM 181 C PRO A 12 -5.450 14.936 -11.609 1.00 1.00 C ATOM 182 O PRO A 12 -5.681 15.928 -12.301 1.00 1.00 O ATOM 183 CB PRO A 12 -4.107 16.155 -9.798 1.00 1.00 C ATOM 184 CG PRO A 12 -2.632 16.293 -9.542 1.00 1.00 C ATOM 185 CD PRO A 12 -1.967 15.928 -10.890 1.00 1.00 C ATOM 0 HA PRO A 12 -4.322 13.966 -10.135 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -4.512 17.035 -10.298 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.666 16.030 -8.870 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -2.376 17.307 -9.235 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -2.304 15.626 -8.745 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.864 16.800 -11.537 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -0.967 15.518 -10.747 1.00 1.00 H new ATOM 193 N PHE A 13 -6.236 13.864 -11.595 1.00 1.00 N ATOM 194 CA PHE A 13 -7.455 13.794 -12.419 1.00 1.00 C ATOM 195 C PHE A 13 -8.313 12.575 -12.012 1.00 1.00 C ATOM 196 O PHE A 13 -7.888 11.429 -12.167 1.00 1.00 O ATOM 197 CB PHE A 13 -7.074 13.684 -13.920 1.00 1.00 C ATOM 198 CG PHE A 13 -8.335 13.815 -14.791 1.00 1.00 C ATOM 199 CD1 PHE A 13 -8.785 15.091 -15.191 1.00 1.00 C ATOM 200 CD2 PHE A 13 -9.059 12.674 -15.186 1.00 1.00 C ATOM 201 CE1 PHE A 13 -9.943 15.219 -15.966 1.00 1.00 C ATOM 202 CE2 PHE A 13 -10.215 12.808 -15.963 1.00 1.00 C ATOM 203 CZ PHE A 13 -10.656 14.080 -16.356 1.00 1.00 C ATOM 0 H PHE A 13 -6.059 13.034 -11.029 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.034 14.703 -12.258 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.359 14.464 -14.181 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.587 12.728 -14.111 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.234 15.972 -14.898 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.721 11.692 -14.888 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.287 16.199 -16.264 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -10.769 11.930 -16.261 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.546 14.180 -16.960 1.00 1.00 H new ATOM 213 N GLU A 14 -9.515 12.838 -11.512 1.00 1.00 N ATOM 214 CA GLU A 14 -10.421 11.745 -11.095 1.00 1.00 C ATOM 215 C GLU A 14 -10.658 10.765 -12.262 1.00 1.00 C ATOM 216 O GLU A 14 -10.700 11.171 -13.423 1.00 1.00 O ATOM 217 CB GLU A 14 -11.764 12.334 -10.593 1.00 1.00 C ATOM 218 CG GLU A 14 -12.681 11.229 -10.004 1.00 1.00 C ATOM 219 CD GLU A 14 -13.992 11.829 -9.475 1.00 1.00 C ATOM 220 OE1 GLU A 14 -14.292 12.966 -9.806 1.00 1.00 O ATOM 221 OE2 GLU A 14 -14.681 11.134 -8.741 1.00 1.00 O ATOM 0 H GLU A 14 -9.891 13.777 -11.382 1.00 1.00 H new ATOM 0 HA GLU A 14 -9.955 11.193 -10.279 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -11.570 13.091 -9.833 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -12.275 12.833 -11.417 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -12.900 10.486 -10.771 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -12.162 10.712 -9.197 1.00 1.00 H new ATOM 228 N GLY A 15 -10.807 9.484 -11.938 1.00 1.00 N ATOM 229 CA GLY A 15 -11.030 8.434 -12.953 1.00 1.00 C ATOM 230 C GLY A 15 -9.701 7.875 -13.470 1.00 1.00 C ATOM 231 O GLY A 15 -9.638 6.729 -13.917 1.00 1.00 O ATOM 0 H GLY A 15 -10.779 9.137 -10.979 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -11.624 7.628 -12.522 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -11.604 8.844 -13.784 1.00 1.00 H new ATOM 235 N GLU A 16 -8.649 8.682 -13.398 1.00 1.00 N ATOM 236 CA GLU A 16 -7.318 8.254 -13.866 1.00 1.00 C ATOM 237 C GLU A 16 -6.799 7.117 -12.987 1.00 1.00 C ATOM 238 O GLU A 16 -7.031 7.097 -11.777 1.00 1.00 O ATOM 239 CB GLU A 16 -6.329 9.447 -13.834 1.00 1.00 C ATOM 240 CG GLU A 16 -4.963 9.062 -14.464 1.00 1.00 C ATOM 241 CD GLU A 16 -4.004 10.260 -14.471 1.00 1.00 C ATOM 242 OE1 GLU A 16 -4.462 11.380 -14.295 1.00 1.00 O ATOM 243 OE2 GLU A 16 -2.820 10.033 -14.652 1.00 1.00 O ATOM 0 H GLU A 16 -8.681 9.631 -13.025 1.00 1.00 H new ATOM 0 HA GLU A 16 -7.402 7.899 -14.893 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -6.756 10.292 -14.375 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -6.179 9.771 -12.804 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -4.519 8.239 -13.904 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.116 8.708 -15.483 1.00 1.00 H new ATOM 250 N GLU A 17 -6.091 6.174 -13.605 1.00 1.00 N ATOM 251 CA GLU A 17 -5.537 5.034 -12.873 1.00 1.00 C ATOM 252 C GLU A 17 -4.277 5.475 -12.114 1.00 1.00 C ATOM 253 O GLU A 17 -3.429 6.195 -12.640 1.00 1.00 O ATOM 254 CB GLU A 17 -5.208 3.882 -13.857 1.00 1.00 C ATOM 255 CG GLU A 17 -4.794 2.603 -13.088 1.00 1.00 C ATOM 256 CD GLU A 17 -4.483 1.465 -14.062 1.00 1.00 C ATOM 257 OE1 GLU A 17 -3.387 1.456 -14.600 1.00 1.00 O ATOM 258 OE2 GLU A 17 -5.342 0.616 -14.251 1.00 1.00 O ATOM 0 H GLU A 17 -5.888 6.175 -14.604 1.00 1.00 H new ATOM 0 HA GLU A 17 -6.271 4.671 -12.154 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -6.077 3.671 -14.481 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -4.402 4.187 -14.525 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.919 2.810 -12.471 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.596 2.302 -12.413 1.00 1.00 H new ATOM 265 N ILE A 18 -4.168 5.018 -10.869 1.00 1.00 N ATOM 266 CA ILE A 18 -3.005 5.351 -10.008 1.00 1.00 C ATOM 267 C ILE A 18 -2.329 4.072 -9.506 1.00 1.00 C ATOM 268 O ILE A 18 -2.991 3.068 -9.246 1.00 1.00 O ATOM 269 CB ILE A 18 -3.465 6.244 -8.819 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.567 5.529 -7.973 1.00 1.00 C ATOM 271 CG2 ILE A 18 -4.022 7.592 -9.355 1.00 1.00 C ATOM 272 CD1 ILE A 18 -4.995 6.384 -6.748 1.00 1.00 C ATOM 0 H ILE A 18 -4.861 4.417 -10.423 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.274 5.908 -10.595 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.601 6.428 -8.181 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.436 5.331 -8.600 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.194 4.564 -7.631 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -4.342 8.212 -8.518 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -3.243 8.111 -9.914 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.872 7.400 -10.010 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -5.763 5.854 -6.184 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.131 6.560 -6.107 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.392 7.339 -7.092 1.00 1.00 H new ATOM 284 N THR A 19 -1.008 4.125 -9.367 1.00 1.00 N ATOM 285 CA THR A 19 -0.236 2.956 -8.897 1.00 1.00 C ATOM 286 C THR A 19 -0.185 2.965 -7.369 1.00 1.00 C ATOM 287 O THR A 19 0.429 3.840 -6.758 1.00 1.00 O ATOM 288 CB THR A 19 1.204 2.987 -9.488 1.00 1.00 C ATOM 289 OG1 THR A 19 1.116 3.200 -10.889 1.00 1.00 O ATOM 290 CG2 THR A 19 1.942 1.647 -9.236 1.00 1.00 C ATOM 0 H THR A 19 -0.445 4.951 -9.568 1.00 1.00 H new ATOM 0 HA THR A 19 -0.724 2.042 -9.235 1.00 1.00 H new ATOM 0 HB THR A 19 1.762 3.788 -9.003 1.00 1.00 H new ATOM 0 HG1 THR A 19 2.017 3.223 -11.274 1.00 1.00 H new ATOM 0 HG21 THR A 19 2.945 1.699 -9.660 1.00 1.00 H new ATOM 0 HG22 THR A 19 2.010 1.465 -8.163 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.390 0.834 -9.707 1.00 1.00 H new ATOM 298 N VAL A 20 -0.826 1.972 -6.758 1.00 1.00 N ATOM 299 CA VAL A 20 -0.863 1.863 -5.287 1.00 1.00 C ATOM 300 C VAL A 20 0.282 0.969 -4.815 1.00 1.00 C ATOM 301 O VAL A 20 0.297 -0.232 -5.083 1.00 1.00 O ATOM 302 CB VAL A 20 -2.238 1.288 -4.828 1.00 1.00 C ATOM 303 CG1 VAL A 20 -2.372 1.368 -3.283 1.00 1.00 C ATOM 304 CG2 VAL A 20 -3.385 2.101 -5.481 1.00 1.00 C ATOM 0 H VAL A 20 -1.327 1.231 -7.248 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.743 2.852 -4.845 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.299 0.244 -5.137 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -3.337 0.963 -2.980 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -1.574 0.790 -2.818 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -2.299 2.408 -2.965 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -4.345 1.698 -5.159 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.310 3.145 -5.177 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -3.308 2.032 -6.566 1.00 1.00 H new ATOM 314 N SER A 21 1.236 1.565 -4.106 1.00 1.00 N ATOM 315 CA SER A 21 2.414 0.852 -3.585 1.00 1.00 C ATOM 316 C SER A 21 2.599 1.157 -2.097 1.00 1.00 C ATOM 317 O SER A 21 2.522 2.305 -1.660 1.00 1.00 O ATOM 318 CB SER A 21 3.660 1.324 -4.350 1.00 1.00 C ATOM 319 OG SER A 21 4.830 0.816 -3.717 1.00 1.00 O ATOM 0 H SER A 21 1.221 2.558 -3.872 1.00 1.00 H new ATOM 0 HA SER A 21 2.271 -0.221 -3.716 1.00 1.00 H new ATOM 0 HB2 SER A 21 3.616 0.982 -5.384 1.00 1.00 H new ATOM 0 HB3 SER A 21 3.692 2.413 -4.376 1.00 1.00 H new ATOM 0 HG SER A 21 4.848 -0.161 -3.797 1.00 1.00 H new ATOM 325 N ALA A 22 2.868 0.105 -1.330 1.00 1.00 N ATOM 326 CA ALA A 22 3.075 0.219 0.128 1.00 1.00 C ATOM 327 C ALA A 22 4.464 -0.306 0.503 1.00 1.00 C ATOM 328 O ALA A 22 4.815 -1.439 0.171 1.00 1.00 O ATOM 329 CB ALA A 22 1.990 -0.602 0.846 1.00 1.00 C ATOM 0 H ALA A 22 2.950 -0.847 -1.688 1.00 1.00 H new ATOM 0 HA ALA A 22 3.008 1.264 0.430 1.00 1.00 H new ATOM 0 HB1 ALA A 22 2.131 -0.527 1.924 1.00 1.00 H new ATOM 0 HB2 ALA A 22 1.006 -0.215 0.581 1.00 1.00 H new ATOM 0 HB3 ALA A 22 2.063 -1.646 0.542 1.00 1.00 H new ATOM 335 N ARG A 23 5.239 0.516 1.203 1.00 1.00 N ATOM 336 CA ARG A 23 6.593 0.116 1.616 1.00 1.00 C ATOM 337 C ARG A 23 6.505 -0.740 2.884 1.00 1.00 C ATOM 338 O ARG A 23 6.170 -0.247 3.960 1.00 1.00 O ATOM 339 CB ARG A 23 7.454 1.379 1.879 1.00 1.00 C ATOM 340 CG ARG A 23 7.692 2.150 0.555 1.00 1.00 C ATOM 341 CD ARG A 23 8.548 3.407 0.802 1.00 1.00 C ATOM 342 NE ARG A 23 8.792 4.115 -0.464 1.00 1.00 N ATOM 343 CZ ARG A 23 9.641 3.652 -1.397 1.00 1.00 C ATOM 344 NH1 ARG A 23 10.308 2.544 -1.196 1.00 1.00 N ATOM 345 NH2 ARG A 23 9.812 4.315 -2.508 1.00 1.00 N ATOM 0 H ARG A 23 4.964 1.453 1.497 1.00 1.00 H new ATOM 0 HA ARG A 23 7.061 -0.468 0.823 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.954 2.026 2.600 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.409 1.092 2.318 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.190 1.501 -0.165 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.735 2.436 0.118 1.00 1.00 H new ATOM 0 HD2 ARG A 23 8.041 4.068 1.505 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.497 3.125 1.258 1.00 1.00 H new ATOM 0 HE ARG A 23 8.298 4.990 -0.640 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.185 2.025 -0.326 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.951 2.199 -1.909 1.00 1.00 H new ATOM 0 HH21 ARG A 23 9.302 5.184 -2.667 1.00 1.00 H new ATOM 0 HH22 ARG A 23 10.456 3.965 -3.217 1.00 1.00 H new ATOM 359 N VAL A 24 6.826 -2.023 2.742 1.00 1.00 N ATOM 360 CA VAL A 24 6.789 -2.968 3.869 1.00 1.00 C ATOM 361 C VAL A 24 8.147 -2.980 4.572 1.00 1.00 C ATOM 362 O VAL A 24 9.173 -3.220 3.935 1.00 1.00 O ATOM 363 CB VAL A 24 6.426 -4.386 3.332 1.00 1.00 C ATOM 364 CG1 VAL A 24 7.500 -4.926 2.352 1.00 1.00 C ATOM 365 CG2 VAL A 24 6.252 -5.392 4.498 1.00 1.00 C ATOM 0 H VAL A 24 7.116 -2.439 1.857 1.00 1.00 H new ATOM 0 HA VAL A 24 6.033 -2.662 4.592 1.00 1.00 H new ATOM 0 HB VAL A 24 5.484 -4.284 2.793 1.00 1.00 H new ATOM 0 HG11 VAL A 24 7.208 -5.916 2.002 1.00 1.00 H new ATOM 0 HG12 VAL A 24 7.588 -4.251 1.501 1.00 1.00 H new ATOM 0 HG13 VAL A 24 8.460 -4.991 2.864 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.999 -6.374 4.097 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.182 -5.459 5.062 1.00 1.00 H new ATOM 0 HG23 VAL A 24 5.452 -5.052 5.156 1.00 1.00 H new ATOM 375 N THR A 25 8.149 -2.733 5.878 1.00 1.00 N ATOM 376 CA THR A 25 9.411 -2.719 6.656 1.00 1.00 C ATOM 377 C THR A 25 9.606 -4.068 7.365 1.00 1.00 C ATOM 378 O THR A 25 8.742 -4.512 8.120 1.00 1.00 O ATOM 379 CB THR A 25 9.377 -1.562 7.685 1.00 1.00 C ATOM 380 OG1 THR A 25 9.038 -0.361 7.007 1.00 1.00 O ATOM 381 CG2 THR A 25 10.757 -1.373 8.354 1.00 1.00 C ATOM 0 H THR A 25 7.310 -2.541 6.426 1.00 1.00 H new ATOM 0 HA THR A 25 10.251 -2.561 5.979 1.00 1.00 H new ATOM 0 HB THR A 25 8.643 -1.802 8.454 1.00 1.00 H new ATOM 0 HG1 THR A 25 9.011 0.380 7.648 1.00 1.00 H new ATOM 0 HG21 THR A 25 10.704 -0.554 9.072 1.00 1.00 H new ATOM 0 HG22 THR A 25 11.040 -2.290 8.870 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.502 -1.141 7.593 1.00 1.00 H new ATOM 389 N ASN A 26 10.748 -4.702 7.117 1.00 1.00 N ATOM 390 CA ASN A 26 11.054 -6.002 7.734 1.00 1.00 C ATOM 391 C ASN A 26 11.443 -5.797 9.200 1.00 1.00 C ATOM 392 O ASN A 26 12.538 -5.328 9.513 1.00 1.00 O ATOM 393 CB ASN A 26 12.202 -6.690 6.970 1.00 1.00 C ATOM 394 CG ASN A 26 12.481 -8.099 7.520 1.00 1.00 C ATOM 395 OD1 ASN A 26 11.824 -8.547 8.463 1.00 1.00 O ATOM 396 ND2 ASN A 26 13.425 -8.825 6.984 1.00 1.00 N ATOM 0 H ASN A 26 11.477 -4.345 6.499 1.00 1.00 H new ATOM 0 HA ASN A 26 10.171 -6.639 7.686 1.00 1.00 H new ATOM 0 HB2 ASN A 26 11.949 -6.755 5.912 1.00 1.00 H new ATOM 0 HB3 ASN A 26 13.105 -6.084 7.045 1.00 1.00 H new ATOM 0 HD21 ASN A 26 13.617 -9.759 7.345 1.00 1.00 H new ATOM 0 HD22 ASN A 26 13.970 -8.458 6.204 1.00 1.00 H new ATOM 444 N ALA A 30 15.263 -11.668 11.687 1.00 1.00 N ATOM 445 CA ALA A 30 15.863 -12.400 10.557 1.00 1.00 C ATOM 446 C ALA A 30 15.165 -12.035 9.252 1.00 1.00 C ATOM 447 O ALA A 30 14.163 -11.321 9.241 1.00 1.00 O ATOM 448 CB ALA A 30 15.745 -13.914 10.807 1.00 1.00 C ATOM 0 HA ALA A 30 16.914 -12.124 10.476 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.188 -14.456 9.972 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.269 -14.173 11.727 1.00 1.00 H new ATOM 0 HB3 ALA A 30 14.694 -14.187 10.899 1.00 1.00 H new ATOM 454 N GLU A 31 15.697 -12.552 8.149 1.00 1.00 N ATOM 455 CA GLU A 31 15.122 -12.290 6.826 1.00 1.00 C ATOM 456 C GLU A 31 13.698 -12.842 6.768 1.00 1.00 C ATOM 457 O GLU A 31 13.474 -14.018 7.055 1.00 1.00 O ATOM 458 CB GLU A 31 15.988 -12.963 5.733 1.00 1.00 C ATOM 459 CG GLU A 31 17.386 -12.311 5.675 1.00 1.00 C ATOM 460 CD GLU A 31 18.258 -12.995 4.621 1.00 1.00 C ATOM 461 OE1 GLU A 31 18.214 -14.213 4.546 1.00 1.00 O ATOM 462 OE2 GLU A 31 18.959 -12.293 3.908 1.00 1.00 O ATOM 0 H GLU A 31 16.521 -13.153 8.140 1.00 1.00 H new ATOM 0 HA GLU A 31 15.100 -11.214 6.651 1.00 1.00 H new ATOM 0 HB2 GLU A 31 16.085 -14.028 5.942 1.00 1.00 H new ATOM 0 HB3 GLU A 31 15.497 -12.872 4.764 1.00 1.00 H new ATOM 0 HG2 GLU A 31 17.289 -11.251 5.442 1.00 1.00 H new ATOM 0 HG3 GLU A 31 17.866 -12.380 6.651 1.00 1.00 H new ATOM 469 N ALA A 32 12.744 -11.997 6.381 1.00 1.00 N ATOM 470 CA ALA A 32 11.344 -12.419 6.285 1.00 1.00 C ATOM 471 C ALA A 32 11.130 -13.210 4.998 1.00 1.00 C ATOM 472 O ALA A 32 11.603 -12.812 3.934 1.00 1.00 O ATOM 473 CB ALA A 32 10.422 -11.186 6.301 1.00 1.00 C ATOM 0 H ALA A 32 12.911 -11.023 6.130 1.00 1.00 H new ATOM 0 HA ALA A 32 11.104 -13.053 7.138 1.00 1.00 H new ATOM 0 HB1 ALA A 32 9.383 -11.508 6.229 1.00 1.00 H new ATOM 0 HB2 ALA A 32 10.568 -10.635 7.230 1.00 1.00 H new ATOM 0 HB3 ALA A 32 10.661 -10.542 5.455 1.00 1.00 H new ATOM 479 N HIS A 33 10.407 -14.320 5.099 1.00 1.00 N ATOM 480 CA HIS A 33 10.105 -15.179 3.940 1.00 1.00 C ATOM 481 C HIS A 33 8.658 -14.997 3.532 1.00 1.00 C ATOM 482 O HIS A 33 7.859 -14.362 4.221 1.00 1.00 O ATOM 483 CB HIS A 33 10.368 -16.659 4.289 1.00 1.00 C ATOM 484 CG HIS A 33 11.821 -16.848 4.650 1.00 1.00 C ATOM 485 ND1 HIS A 33 12.221 -17.563 5.769 1.00 1.00 N ATOM 486 CD2 HIS A 33 12.978 -16.414 4.045 1.00 1.00 C ATOM 487 CE1 HIS A 33 13.567 -17.539 5.806 1.00 1.00 C ATOM 488 NE2 HIS A 33 14.078 -16.852 4.779 1.00 1.00 N ATOM 0 H HIS A 33 10.012 -14.656 5.977 1.00 1.00 H new ATOM 0 HA HIS A 33 10.752 -14.893 3.111 1.00 1.00 H new ATOM 0 HB2 HIS A 33 9.734 -16.964 5.122 1.00 1.00 H new ATOM 0 HB3 HIS A 33 10.109 -17.294 3.442 1.00 1.00 H new ATOM 0 HD2 HIS A 33 13.026 -15.825 3.141 1.00 1.00 H new ATOM 0 HE1 HIS A 33 14.161 -18.016 6.571 1.00 1.00 H new ATOM 0 HE2 HIS A 33 15.063 -16.684 4.576 1.00 1.00 H new ATOM 497 N ASN A 34 8.329 -15.556 2.372 1.00 1.00 N ATOM 498 CA ASN A 34 6.949 -15.472 1.799 1.00 1.00 C ATOM 499 C ASN A 34 6.127 -14.359 2.472 1.00 1.00 C ATOM 500 O ASN A 34 5.403 -14.598 3.438 1.00 1.00 O ATOM 501 CB ASN A 34 6.250 -16.831 1.961 1.00 1.00 C ATOM 502 CG ASN A 34 6.288 -17.257 3.424 1.00 1.00 C ATOM 503 OD1 ASN A 34 5.332 -17.029 4.164 1.00 1.00 O ATOM 504 ND2 ASN A 34 7.351 -17.857 3.888 1.00 1.00 N ATOM 0 H ASN A 34 8.987 -16.078 1.793 1.00 1.00 H new ATOM 0 HA ASN A 34 7.026 -15.224 0.740 1.00 1.00 H new ATOM 0 HB2 ASN A 34 5.217 -16.763 1.619 1.00 1.00 H new ATOM 0 HB3 ASN A 34 6.742 -17.580 1.341 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.391 -18.139 4.868 1.00 1.00 H new ATOM 0 HD22 ASN A 34 8.141 -18.044 3.271 1.00 1.00 H new ATOM 511 N VAL A 35 6.293 -13.137 1.977 1.00 1.00 N ATOM 512 CA VAL A 35 5.599 -11.959 2.552 1.00 1.00 C ATOM 513 C VAL A 35 4.564 -11.410 1.547 1.00 1.00 C ATOM 514 O VAL A 35 4.849 -10.425 0.867 1.00 1.00 O ATOM 515 CB VAL A 35 6.681 -10.887 2.870 1.00 1.00 C ATOM 516 CG1 VAL A 35 6.048 -9.677 3.609 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.792 -11.515 3.761 1.00 1.00 C ATOM 0 H VAL A 35 6.896 -12.923 1.183 1.00 1.00 H new ATOM 0 HA VAL A 35 5.062 -12.232 3.461 1.00 1.00 H new ATOM 0 HB VAL A 35 7.114 -10.539 1.932 1.00 1.00 H new ATOM 0 HG11 VAL A 35 6.819 -8.937 3.823 1.00 1.00 H new ATOM 0 HG12 VAL A 35 5.280 -9.228 2.980 1.00 1.00 H new ATOM 0 HG13 VAL A 35 5.600 -10.015 4.543 1.00 1.00 H new ATOM 0 HG21 VAL A 35 8.549 -10.763 3.983 1.00 1.00 H new ATOM 0 HG22 VAL A 35 7.353 -11.873 4.692 1.00 1.00 H new ATOM 0 HG23 VAL A 35 8.253 -12.350 3.233 1.00 1.00 H new ATOM 527 N PRO A 36 3.401 -11.999 1.464 1.00 1.00 N ATOM 528 CA PRO A 36 2.354 -11.484 0.517 1.00 1.00 C ATOM 529 C PRO A 36 1.561 -10.326 1.137 1.00 1.00 C ATOM 530 O PRO A 36 0.670 -10.536 1.958 1.00 1.00 O ATOM 531 CB PRO A 36 1.482 -12.732 0.279 1.00 1.00 C ATOM 532 CG PRO A 36 1.458 -13.399 1.627 1.00 1.00 C ATOM 533 CD PRO A 36 2.893 -13.209 2.193 1.00 1.00 C ATOM 0 HA PRO A 36 2.759 -11.067 -0.405 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.480 -12.465 -0.055 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.910 -13.382 -0.484 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.713 -12.944 2.279 1.00 1.00 H new ATOM 0 HG3 PRO A 36 1.204 -14.455 1.541 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.881 -13.052 3.272 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.517 -14.082 2.005 1.00 1.00 H new ATOM 541 N VAL A 37 1.885 -9.109 0.714 1.00 1.00 N ATOM 542 CA VAL A 37 1.196 -7.923 1.224 1.00 1.00 C ATOM 543 C VAL A 37 -0.191 -7.842 0.609 1.00 1.00 C ATOM 544 O VAL A 37 -0.400 -8.262 -0.530 1.00 1.00 O ATOM 545 CB VAL A 37 2.028 -6.654 0.904 1.00 1.00 C ATOM 546 CG1 VAL A 37 2.218 -6.489 -0.619 1.00 1.00 C ATOM 547 CG2 VAL A 37 1.351 -5.383 1.483 1.00 1.00 C ATOM 0 H VAL A 37 2.613 -8.916 0.026 1.00 1.00 H new ATOM 0 HA VAL A 37 1.089 -7.992 2.307 1.00 1.00 H new ATOM 0 HB VAL A 37 3.005 -6.778 1.372 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.805 -5.592 -0.817 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.740 -7.359 -1.017 1.00 1.00 H new ATOM 0 HG13 VAL A 37 1.244 -6.399 -1.100 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.955 -4.508 1.244 1.00 1.00 H new ATOM 0 HG22 VAL A 37 0.359 -5.269 1.047 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.263 -5.479 2.565 1.00 1.00 H new ATOM 557 N ALA A 38 -1.134 -7.275 1.356 1.00 1.00 N ATOM 558 CA ALA A 38 -2.521 -7.122 0.894 1.00 1.00 C ATOM 559 C ALA A 38 -2.990 -5.695 1.150 1.00 1.00 C ATOM 560 O ALA A 38 -2.876 -5.179 2.262 1.00 1.00 O ATOM 561 CB ALA A 38 -3.419 -8.103 1.666 1.00 1.00 C ATOM 0 H ALA A 38 -0.966 -6.909 2.293 1.00 1.00 H new ATOM 0 HA ALA A 38 -2.577 -7.333 -0.174 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.450 -7.995 1.329 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.083 -9.124 1.485 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.362 -7.886 2.733 1.00 1.00 H new ATOM 567 N VAL A 39 -3.541 -5.070 0.115 1.00 1.00 N ATOM 568 CA VAL A 39 -4.037 -3.688 0.191 1.00 1.00 C ATOM 569 C VAL A 39 -5.526 -3.659 -0.165 1.00 1.00 C ATOM 570 O VAL A 39 -5.995 -4.399 -1.029 1.00 1.00 O ATOM 571 CB VAL A 39 -3.224 -2.799 -0.794 1.00 1.00 C ATOM 572 CG1 VAL A 39 -3.597 -1.308 -0.614 1.00 1.00 C ATOM 573 CG2 VAL A 39 -1.707 -2.985 -0.534 1.00 1.00 C ATOM 0 H VAL A 39 -3.659 -5.501 -0.802 1.00 1.00 H new ATOM 0 HA VAL A 39 -3.913 -3.302 1.203 1.00 1.00 H new ATOM 0 HB VAL A 39 -3.463 -3.102 -1.813 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -3.019 -0.702 -1.311 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -4.660 -1.173 -0.811 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -3.375 -0.998 0.407 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.140 -2.361 -1.225 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.475 -2.694 0.491 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.438 -4.030 -0.684 1.00 1.00 H new ATOM 583 N TYR A 40 -6.259 -2.783 0.515 1.00 1.00 N ATOM 584 CA TYR A 40 -7.703 -2.647 0.278 1.00 1.00 C ATOM 585 C TYR A 40 -8.158 -1.229 0.628 1.00 1.00 C ATOM 586 O TYR A 40 -7.892 -0.725 1.719 1.00 1.00 O ATOM 587 CB TYR A 40 -8.468 -3.699 1.118 1.00 1.00 C ATOM 588 CG TYR A 40 -8.033 -3.587 2.581 1.00 1.00 C ATOM 589 CD1 TYR A 40 -6.913 -4.306 3.047 1.00 1.00 C ATOM 590 CD2 TYR A 40 -8.734 -2.747 3.471 1.00 1.00 C ATOM 591 CE1 TYR A 40 -6.503 -4.180 4.383 1.00 1.00 C ATOM 592 CE2 TYR A 40 -8.322 -2.633 4.801 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.212 -3.342 5.256 1.00 1.00 C ATOM 594 OH TYR A 40 -6.815 -3.209 6.567 1.00 1.00 O ATOM 0 H TYR A 40 -5.886 -2.159 1.230 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.919 -2.822 -0.776 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.543 -3.539 1.032 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.264 -4.701 0.741 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.370 -4.954 2.375 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.592 -2.190 3.123 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.643 -4.728 4.739 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -8.866 -1.993 5.479 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.417 -2.589 7.030 1.00 1.00 H new ATOM 604 N LEU A 41 -8.857 -0.596 -0.310 1.00 1.00 N ATOM 605 CA LEU A 41 -9.347 0.775 -0.103 1.00 1.00 C ATOM 606 C LEU A 41 -10.638 0.754 0.714 1.00 1.00 C ATOM 607 O LEU A 41 -11.587 0.039 0.389 1.00 1.00 O ATOM 608 CB LEU A 41 -9.571 1.473 -1.466 1.00 1.00 C ATOM 609 CG LEU A 41 -10.040 2.987 -1.287 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.263 3.921 -2.250 1.00 1.00 C ATOM 611 CD2 LEU A 41 -11.560 3.119 -1.567 1.00 1.00 C ATOM 0 H LEU A 41 -9.098 -1.001 -1.215 1.00 1.00 H new ATOM 0 HA LEU A 41 -8.598 1.340 0.452 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -8.648 1.445 -2.045 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -10.321 0.925 -2.036 1.00 1.00 H new ATOM 0 HG LEU A 41 -9.832 3.281 -0.258 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.599 4.948 -2.111 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -8.196 3.856 -2.037 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -9.447 3.616 -3.280 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -11.864 4.158 -1.441 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.771 2.801 -2.588 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -12.114 2.491 -0.869 1.00 1.00 H new ATOM 623 N GLY A 42 -10.653 1.535 1.788 1.00 1.00 N ATOM 624 CA GLY A 42 -11.814 1.621 2.696 1.00 1.00 C ATOM 625 C GLY A 42 -11.410 1.267 4.123 1.00 1.00 C ATOM 626 O GLY A 42 -10.252 1.403 4.520 1.00 1.00 O ATOM 0 H GLY A 42 -9.870 2.128 2.062 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.229 2.629 2.670 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.598 0.945 2.356 1.00 1.00 H new ATOM 630 N ASN A 43 -12.392 0.817 4.897 1.00 1.00 N ATOM 631 CA ASN A 43 -12.155 0.454 6.321 1.00 1.00 C ATOM 632 C ASN A 43 -12.527 -1.034 6.601 1.00 1.00 C ATOM 633 O ASN A 43 -13.516 -1.505 6.038 1.00 1.00 O ATOM 634 CB ASN A 43 -13.007 1.394 7.195 1.00 1.00 C ATOM 635 CG ASN A 43 -12.569 2.852 6.980 1.00 1.00 C ATOM 636 OD1 ASN A 43 -11.869 3.418 7.821 1.00 1.00 O ATOM 637 ND2 ASN A 43 -12.933 3.489 5.899 1.00 1.00 N ATOM 0 H ASN A 43 -13.354 0.690 4.583 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.096 0.566 6.555 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.062 1.282 6.944 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -12.899 1.124 8.246 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -12.638 4.454 5.752 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -13.513 3.021 5.202 1.00 1.00 H new ATOM 644 N PRO A 44 -11.811 -1.733 7.442 1.00 1.00 N ATOM 645 CA PRO A 44 -12.169 -3.175 7.750 1.00 1.00 C ATOM 646 C PRO A 44 -13.658 -3.371 8.083 1.00 1.00 C ATOM 647 O PRO A 44 -14.228 -4.433 7.834 1.00 1.00 O ATOM 648 CB PRO A 44 -11.294 -3.535 8.979 1.00 1.00 C ATOM 649 CG PRO A 44 -10.090 -2.644 8.867 1.00 1.00 C ATOM 650 CD PRO A 44 -10.585 -1.329 8.207 1.00 1.00 C ATOM 0 HA PRO A 44 -11.988 -3.811 6.883 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -11.830 -3.360 9.912 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -11.010 -4.587 8.968 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -9.658 -2.448 9.848 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.313 -3.114 8.264 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -10.816 -0.571 8.956 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -9.827 -0.906 7.548 1.00 1.00 H new ATOM 658 N ALA A 45 -14.269 -2.339 8.657 1.00 1.00 N ATOM 659 CA ALA A 45 -15.686 -2.399 9.036 1.00 1.00 C ATOM 660 C ALA A 45 -16.564 -2.682 7.811 1.00 1.00 C ATOM 661 O ALA A 45 -17.511 -3.467 7.876 1.00 1.00 O ATOM 662 CB ALA A 45 -16.103 -1.067 9.681 1.00 1.00 C ATOM 0 H ALA A 45 -13.812 -1.453 8.871 1.00 1.00 H new ATOM 0 HA ALA A 45 -15.822 -3.210 9.751 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -17.155 -1.112 9.962 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.498 -0.888 10.569 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -15.952 -0.255 8.969 1.00 1.00 H new ATOM 668 N GLN A 46 -16.234 -2.037 6.697 1.00 1.00 N ATOM 669 CA GLN A 46 -16.995 -2.224 5.452 1.00 1.00 C ATOM 670 C GLN A 46 -16.907 -3.683 4.988 1.00 1.00 C ATOM 671 O GLN A 46 -17.925 -4.325 4.731 1.00 1.00 O ATOM 672 CB GLN A 46 -16.434 -1.287 4.354 1.00 1.00 C ATOM 673 CG GLN A 46 -16.536 0.195 4.790 1.00 1.00 C ATOM 674 CD GLN A 46 -17.996 0.633 4.944 1.00 1.00 C ATOM 675 OE1 GLN A 46 -18.791 0.495 4.011 1.00 1.00 O ATOM 676 NE2 GLN A 46 -18.401 1.146 6.076 1.00 1.00 N ATOM 0 H GLN A 46 -15.453 -1.385 6.623 1.00 1.00 H new ATOM 0 HA GLN A 46 -18.041 -1.979 5.637 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -15.393 -1.540 4.151 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -16.986 -1.436 3.426 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -16.011 0.335 5.735 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -16.041 0.828 4.053 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -17.744 1.260 6.848 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -19.374 1.432 6.187 1.00 1.00 H new ATOM 685 N GLY A 47 -15.684 -4.193 4.883 1.00 1.00 N ATOM 686 CA GLY A 47 -15.462 -5.585 4.456 1.00 1.00 C ATOM 687 C GLY A 47 -14.086 -5.753 3.823 1.00 1.00 C ATOM 688 O GLY A 47 -13.686 -6.863 3.469 1.00 1.00 O ATOM 0 H GLY A 47 -14.830 -3.673 5.085 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -15.554 -6.251 5.314 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -16.232 -5.877 3.742 1.00 1.00 H new ATOM 692 N GLY A 48 -13.364 -4.645 3.681 1.00 1.00 N ATOM 693 CA GLY A 48 -12.028 -4.680 3.078 1.00 1.00 C ATOM 694 C GLY A 48 -12.085 -5.209 1.643 1.00 1.00 C ATOM 695 O GLY A 48 -12.132 -6.420 1.427 1.00 1.00 O ATOM 0 H GLY A 48 -13.675 -3.718 3.971 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -11.597 -3.679 3.083 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -11.372 -5.312 3.676 1.00 1.00 H new ATOM 699 N VAL A 49 -12.077 -4.301 0.672 1.00 1.00 N ATOM 700 CA VAL A 49 -12.133 -4.692 -0.748 1.00 1.00 C ATOM 701 C VAL A 49 -10.733 -5.094 -1.233 1.00 1.00 C ATOM 702 O VAL A 49 -9.826 -4.265 -1.298 1.00 1.00 O ATOM 703 CB VAL A 49 -12.677 -3.505 -1.598 1.00 1.00 C ATOM 704 CG1 VAL A 49 -12.945 -3.961 -3.055 1.00 1.00 C ATOM 705 CG2 VAL A 49 -13.998 -2.984 -0.977 1.00 1.00 C ATOM 0 H VAL A 49 -12.033 -3.295 0.832 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.802 -5.545 -0.862 1.00 1.00 H new ATOM 0 HB VAL A 49 -11.931 -2.710 -1.605 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.325 -3.120 -3.635 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -12.017 -4.320 -3.500 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -13.682 -4.764 -3.055 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -14.377 -2.154 -1.573 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -14.735 -3.787 -0.963 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -13.812 -2.644 0.042 1.00 1.00 H new ATOM 715 N GLU A 50 -10.575 -6.370 -1.577 1.00 1.00 N ATOM 716 CA GLU A 50 -9.278 -6.872 -2.055 1.00 1.00 C ATOM 717 C GLU A 50 -9.033 -6.386 -3.493 1.00 1.00 C ATOM 718 O GLU A 50 -9.720 -6.806 -4.424 1.00 1.00 O ATOM 719 CB GLU A 50 -9.279 -8.415 -2.000 1.00 1.00 C ATOM 720 CG GLU A 50 -7.899 -8.994 -2.408 1.00 1.00 C ATOM 721 CD GLU A 50 -7.912 -10.521 -2.328 1.00 1.00 C ATOM 722 OE1 GLU A 50 -8.654 -11.056 -1.518 1.00 1.00 O ATOM 723 OE2 GLU A 50 -7.164 -11.132 -3.065 1.00 1.00 O ATOM 0 H GLU A 50 -11.315 -7.071 -1.537 1.00 1.00 H new ATOM 0 HA GLU A 50 -8.478 -6.494 -1.419 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -9.531 -8.745 -0.992 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -10.050 -8.804 -2.665 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -7.652 -8.680 -3.422 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -7.124 -8.597 -1.753 1.00 1.00 H new ATOM 730 N ILE A 51 -8.042 -5.516 -3.658 1.00 1.00 N ATOM 731 CA ILE A 51 -7.705 -4.973 -4.995 1.00 1.00 C ATOM 732 C ILE A 51 -6.688 -5.888 -5.680 1.00 1.00 C ATOM 733 O ILE A 51 -6.827 -6.224 -6.856 1.00 1.00 O ATOM 734 CB ILE A 51 -7.130 -3.528 -4.858 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.138 -2.633 -4.068 1.00 1.00 C ATOM 736 CG2 ILE A 51 -6.898 -2.910 -6.269 1.00 1.00 C ATOM 737 CD1 ILE A 51 -7.510 -1.268 -3.724 1.00 1.00 C ATOM 0 H ILE A 51 -7.456 -5.167 -2.900 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.609 -4.929 -5.603 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.182 -3.576 -4.323 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.040 -2.483 -4.661 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.440 -3.140 -3.152 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -6.497 -1.902 -6.163 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.190 -3.526 -6.824 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -7.844 -2.869 -6.808 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.232 -0.664 -3.174 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.622 -1.420 -3.110 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -7.232 -0.753 -4.644 1.00 1.00 H new ATOM 749 N GLY A 52 -5.661 -6.277 -4.930 1.00 1.00 N ATOM 750 CA GLY A 52 -4.617 -7.156 -5.468 1.00 1.00 C ATOM 751 C GLY A 52 -3.490 -7.335 -4.459 1.00 1.00 C ATOM 752 O GLY A 52 -3.497 -6.725 -3.389 1.00 1.00 O ATOM 0 H GLY A 52 -5.526 -6.003 -3.957 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.045 -8.127 -5.718 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -4.221 -6.735 -6.392 1.00 1.00 H new ATOM 756 N ARG A 53 -2.521 -8.175 -4.805 1.00 1.00 N ATOM 757 CA ARG A 53 -1.365 -8.443 -3.931 1.00 1.00 C ATOM 758 C ARG A 53 -0.118 -8.734 -4.768 1.00 1.00 C ATOM 759 O ARG A 53 -0.196 -9.085 -5.945 1.00 1.00 O ATOM 760 CB ARG A 53 -1.661 -9.639 -2.990 1.00 1.00 C ATOM 761 CG ARG A 53 -2.064 -10.900 -3.803 1.00 1.00 C ATOM 762 CD ARG A 53 -2.222 -12.114 -2.864 1.00 1.00 C ATOM 763 NE ARG A 53 -3.277 -11.860 -1.872 1.00 1.00 N ATOM 764 CZ ARG A 53 -4.577 -11.990 -2.155 1.00 1.00 C ATOM 765 NH1 ARG A 53 -4.959 -12.337 -3.354 1.00 1.00 N ATOM 766 NH2 ARG A 53 -5.463 -11.768 -1.225 1.00 1.00 N ATOM 0 H ARG A 53 -2.506 -8.688 -5.686 1.00 1.00 H new ATOM 0 HA ARG A 53 -1.183 -7.556 -3.324 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -0.781 -9.858 -2.386 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.463 -9.374 -2.301 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -2.999 -10.717 -4.332 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.307 -11.112 -4.558 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -2.467 -13.002 -3.446 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -1.278 -12.315 -2.357 1.00 1.00 H new ATOM 0 HE ARG A 53 -3.006 -11.573 -0.931 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -4.264 -12.510 -4.080 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -5.952 -12.435 -3.564 1.00 1.00 H new ATOM 0 HH21 ARG A 53 -5.163 -11.497 -0.289 1.00 1.00 H new ATOM 0 HH22 ARG A 53 -6.457 -11.865 -1.434 1.00 1.00 H new ATOM 780 N ASP A 54 1.038 -8.598 -4.127 1.00 1.00 N ATOM 781 CA ASP A 54 2.330 -8.858 -4.791 1.00 1.00 C ATOM 782 C ASP A 54 3.324 -9.445 -3.785 1.00 1.00 C ATOM 783 O ASP A 54 3.752 -8.767 -2.851 1.00 1.00 O ATOM 784 CB ASP A 54 2.883 -7.539 -5.374 1.00 1.00 C ATOM 785 CG ASP A 54 4.163 -7.780 -6.187 1.00 1.00 C ATOM 786 OD1 ASP A 54 4.168 -8.700 -6.989 1.00 1.00 O ATOM 787 OD2 ASP A 54 5.113 -7.034 -6.002 1.00 1.00 O ATOM 0 H ASP A 54 1.117 -8.311 -3.152 1.00 1.00 H new ATOM 0 HA ASP A 54 2.184 -9.575 -5.599 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.128 -7.075 -6.009 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.091 -6.840 -4.564 1.00 1.00 H new ATOM 792 N THR A 55 3.702 -10.700 -4.002 1.00 1.00 N ATOM 793 CA THR A 55 4.659 -11.378 -3.115 1.00 1.00 C ATOM 794 C THR A 55 6.078 -11.041 -3.551 1.00 1.00 C ATOM 795 O THR A 55 6.426 -11.158 -4.726 1.00 1.00 O ATOM 796 CB THR A 55 4.428 -12.911 -3.151 1.00 1.00 C ATOM 797 OG1 THR A 55 3.065 -13.178 -2.851 1.00 1.00 O ATOM 798 CG2 THR A 55 5.305 -13.626 -2.102 1.00 1.00 C ATOM 0 H THR A 55 3.367 -11.271 -4.778 1.00 1.00 H new ATOM 0 HA THR A 55 4.511 -11.035 -2.091 1.00 1.00 H new ATOM 0 HB THR A 55 4.691 -13.277 -4.144 1.00 1.00 H new ATOM 0 HG1 THR A 55 2.909 -14.145 -2.873 1.00 1.00 H new ATOM 0 HG21 THR A 55 5.124 -14.700 -2.148 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.356 -13.426 -2.309 1.00 1.00 H new ATOM 0 HG23 THR A 55 5.055 -13.258 -1.107 1.00 1.00 H new ATOM 806 N ILE A 56 6.898 -10.626 -2.592 1.00 1.00 N ATOM 807 CA ILE A 56 8.286 -10.260 -2.880 1.00 1.00 C ATOM 808 C ILE A 56 9.164 -11.517 -2.923 1.00 1.00 C ATOM 809 O ILE A 56 8.927 -12.465 -2.177 1.00 1.00 O ATOM 810 CB ILE A 56 8.815 -9.267 -1.799 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.769 -8.136 -1.526 1.00 1.00 C ATOM 812 CG2 ILE A 56 10.166 -8.652 -2.269 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.381 -7.366 -2.805 1.00 1.00 C ATOM 0 H ILE A 56 6.631 -10.534 -1.612 1.00 1.00 H new ATOM 0 HA ILE A 56 8.327 -9.771 -3.853 1.00 1.00 H new ATOM 0 HB ILE A 56 8.974 -9.813 -0.869 1.00 1.00 H new ATOM 0 HG12 ILE A 56 6.874 -8.573 -1.084 1.00 1.00 H new ATOM 0 HG13 ILE A 56 8.177 -7.437 -0.795 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.533 -7.959 -1.512 1.00 1.00 H new ATOM 0 HG22 ILE A 56 10.896 -9.448 -2.417 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.016 -8.118 -3.207 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.653 -6.593 -2.558 1.00 1.00 H new ATOM 0 HD12 ILE A 56 8.269 -6.903 -3.235 1.00 1.00 H new ATOM 0 HD13 ILE A 56 6.946 -8.057 -3.528 1.00 1.00 H new ATOM 825 N SER A 57 10.172 -11.512 -3.790 1.00 1.00 N ATOM 826 CA SER A 57 11.081 -12.664 -3.912 1.00 1.00 C ATOM 827 C SER A 57 11.830 -12.895 -2.597 1.00 1.00 C ATOM 828 O SER A 57 11.930 -14.022 -2.111 1.00 1.00 O ATOM 829 CB SER A 57 12.095 -12.411 -5.033 1.00 1.00 C ATOM 830 OG SER A 57 12.854 -11.255 -4.709 1.00 1.00 O ATOM 0 H SER A 57 10.385 -10.735 -4.416 1.00 1.00 H new ATOM 0 HA SER A 57 10.488 -13.549 -4.146 1.00 1.00 H new ATOM 0 HB2 SER A 57 12.751 -13.273 -5.150 1.00 1.00 H new ATOM 0 HB3 SER A 57 11.580 -12.271 -5.983 1.00 1.00 H new ATOM 0 HG SER A 57 13.508 -11.084 -5.418 1.00 1.00 H new ATOM 836 N ARG A 58 12.356 -11.815 -2.032 1.00 1.00 N ATOM 837 CA ARG A 58 13.096 -11.889 -0.762 1.00 1.00 C ATOM 838 C ARG A 58 13.347 -10.470 -0.218 1.00 1.00 C ATOM 839 O ARG A 58 13.719 -9.556 -0.954 1.00 1.00 O ATOM 840 CB ARG A 58 14.442 -12.641 -0.962 1.00 1.00 C ATOM 841 CG ARG A 58 15.174 -12.843 0.392 1.00 1.00 C ATOM 842 CD ARG A 58 16.501 -13.597 0.176 1.00 1.00 C ATOM 843 NE ARG A 58 16.234 -14.925 -0.376 1.00 1.00 N ATOM 844 CZ ARG A 58 17.212 -15.780 -0.694 1.00 1.00 C ATOM 845 NH1 ARG A 58 18.469 -15.468 -0.499 1.00 1.00 N ATOM 846 NH2 ARG A 58 16.908 -16.938 -1.205 1.00 1.00 N ATOM 0 H ARG A 58 12.288 -10.877 -2.426 1.00 1.00 H new ATOM 0 HA ARG A 58 12.499 -12.443 -0.037 1.00 1.00 H new ATOM 0 HB2 ARG A 58 14.256 -13.609 -1.427 1.00 1.00 H new ATOM 0 HB3 ARG A 58 15.079 -12.078 -1.643 1.00 1.00 H new ATOM 0 HG2 ARG A 58 15.369 -11.876 0.856 1.00 1.00 H new ATOM 0 HG3 ARG A 58 14.537 -13.403 1.077 1.00 1.00 H new ATOM 0 HD2 ARG A 58 17.143 -13.034 -0.502 1.00 1.00 H new ATOM 0 HD3 ARG A 58 17.036 -13.687 1.121 1.00 1.00 H new ATOM 0 HE ARG A 58 15.266 -15.210 -0.524 1.00 1.00 H new ATOM 0 HH11 ARG A 58 18.714 -14.562 -0.099 1.00 1.00 H new ATOM 0 HH12 ARG A 58 19.203 -16.131 -0.747 1.00 1.00 H new ATOM 0 HH21 ARG A 58 15.931 -17.187 -1.360 1.00 1.00 H new ATOM 0 HH22 ARG A 58 17.647 -17.597 -1.451 1.00 1.00 H new ATOM 860 N ILE A 59 13.161 -10.318 1.089 1.00 1.00 N ATOM 861 CA ILE A 59 13.365 -8.999 1.762 1.00 1.00 C ATOM 862 C ILE A 59 14.542 -9.088 2.782 1.00 1.00 C ATOM 863 O ILE A 59 14.440 -9.871 3.727 1.00 1.00 O ATOM 864 CB ILE A 59 12.056 -8.558 2.486 1.00 1.00 C ATOM 865 CG1 ILE A 59 10.877 -8.548 1.466 1.00 1.00 C ATOM 866 CG2 ILE A 59 12.238 -7.126 3.082 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.542 -8.210 2.153 1.00 1.00 C ATOM 0 H ILE A 59 12.873 -11.070 1.715 1.00 1.00 H new ATOM 0 HA ILE A 59 13.616 -8.255 1.006 1.00 1.00 H new ATOM 0 HB ILE A 59 11.838 -9.259 3.292 1.00 1.00 H new ATOM 0 HG12 ILE A 59 11.079 -7.819 0.682 1.00 1.00 H new ATOM 0 HG13 ILE A 59 10.803 -9.523 0.984 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.321 -6.823 3.587 1.00 1.00 H new ATOM 0 HG22 ILE A 59 13.061 -7.131 3.797 1.00 1.00 H new ATOM 0 HG23 ILE A 59 12.460 -6.423 2.279 1.00 1.00 H new ATOM 0 HD11 ILE A 59 8.741 -8.212 1.413 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.329 -8.955 2.920 1.00 1.00 H new ATOM 0 HD13 ILE A 59 9.609 -7.224 2.613 1.00 1.00 H new ATOM 879 N PRO A 60 15.592 -8.328 2.623 1.00 1.00 N ATOM 880 CA PRO A 60 16.737 -8.395 3.609 1.00 1.00 C ATOM 881 C PRO A 60 16.397 -7.707 4.950 1.00 1.00 C ATOM 882 O PRO A 60 15.390 -7.007 5.070 1.00 1.00 O ATOM 883 CB PRO A 60 17.908 -7.718 2.850 1.00 1.00 C ATOM 884 CG PRO A 60 17.232 -6.683 1.995 1.00 1.00 C ATOM 885 CD PRO A 60 15.891 -7.322 1.550 1.00 1.00 C ATOM 0 HA PRO A 60 16.981 -9.414 3.910 1.00 1.00 H new ATOM 0 HB2 PRO A 60 18.621 -7.264 3.538 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.461 -8.437 2.245 1.00 1.00 H new ATOM 0 HG2 PRO A 60 17.061 -5.763 2.554 1.00 1.00 H new ATOM 0 HG3 PRO A 60 17.847 -6.423 1.134 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.100 -6.576 1.471 1.00 1.00 H new ATOM 0 HD3 PRO A 60 15.980 -7.796 0.573 1.00 1.00 H new ATOM 893 N VAL A 61 17.252 -7.922 5.945 1.00 1.00 N ATOM 894 CA VAL A 61 17.063 -7.340 7.284 1.00 1.00 C ATOM 895 C VAL A 61 17.337 -5.834 7.266 1.00 1.00 C ATOM 896 O VAL A 61 18.258 -5.386 6.583 1.00 1.00 O ATOM 897 CB VAL A 61 17.994 -8.052 8.301 1.00 1.00 C ATOM 898 CG1 VAL A 61 17.570 -9.529 8.468 1.00 1.00 C ATOM 899 CG2 VAL A 61 19.469 -7.989 7.828 1.00 1.00 C ATOM 0 H VAL A 61 18.089 -8.497 5.855 1.00 1.00 H new ATOM 0 HA VAL A 61 16.027 -7.488 7.588 1.00 1.00 H new ATOM 0 HB VAL A 61 17.907 -7.539 9.259 1.00 1.00 H new ATOM 0 HG11 VAL A 61 18.230 -10.018 9.184 1.00 1.00 H new ATOM 0 HG12 VAL A 61 16.543 -9.574 8.832 1.00 1.00 H new ATOM 0 HG13 VAL A 61 17.637 -10.038 7.506 1.00 1.00 H new ATOM 0 HG21 VAL A 61 20.106 -8.494 8.554 1.00 1.00 H new ATOM 0 HG22 VAL A 61 19.562 -8.481 6.860 1.00 1.00 H new ATOM 0 HG23 VAL A 61 19.778 -6.948 7.736 1.00 1.00 H new ATOM 909 N GLY A 62 16.542 -5.067 8.005 1.00 1.00 N ATOM 910 CA GLY A 62 16.719 -3.615 8.069 1.00 1.00 C ATOM 911 C GLY A 62 16.432 -2.981 6.717 1.00 1.00 C ATOM 912 O GLY A 62 16.745 -1.813 6.480 1.00 1.00 O ATOM 0 H GLY A 62 15.769 -5.423 8.568 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.053 -3.195 8.823 1.00 1.00 H new ATOM 0 HA3 GLY A 62 17.738 -3.381 8.378 1.00 1.00 H new ATOM 916 N GLY A 63 15.822 -3.762 5.833 1.00 1.00 N ATOM 917 CA GLY A 63 15.469 -3.310 4.472 1.00 1.00 C ATOM 918 C GLY A 63 13.960 -3.233 4.310 1.00 1.00 C ATOM 919 O GLY A 63 13.206 -3.436 5.262 1.00 1.00 O ATOM 0 H GLY A 63 15.554 -4.727 6.029 1.00 1.00 H new ATOM 0 HA2 GLY A 63 15.911 -2.332 4.281 1.00 1.00 H new ATOM 0 HA3 GLY A 63 15.885 -3.997 3.735 1.00 1.00 H new ATOM 923 N THR A 64 13.522 -2.927 3.093 1.00 1.00 N ATOM 924 CA THR A 64 12.076 -2.815 2.796 1.00 1.00 C ATOM 925 C THR A 64 11.765 -3.350 1.404 1.00 1.00 C ATOM 926 O THR A 64 12.606 -3.278 0.509 1.00 1.00 O ATOM 927 CB THR A 64 11.634 -1.332 2.866 1.00 1.00 C ATOM 928 OG1 THR A 64 12.098 -0.656 1.701 1.00 1.00 O ATOM 929 CG2 THR A 64 12.237 -0.643 4.105 1.00 1.00 C ATOM 0 H THR A 64 14.132 -2.751 2.295 1.00 1.00 H new ATOM 0 HA THR A 64 11.535 -3.404 3.537 1.00 1.00 H new ATOM 0 HB THR A 64 10.547 -1.293 2.930 1.00 1.00 H new ATOM 0 HG1 THR A 64 11.821 0.283 1.736 1.00 1.00 H new ATOM 0 HG21 THR A 64 11.914 0.398 4.136 1.00 1.00 H new ATOM 0 HG22 THR A 64 11.899 -1.154 5.006 1.00 1.00 H new ATOM 0 HG23 THR A 64 13.325 -0.684 4.051 1.00 1.00 H new ATOM 937 N GLY A 65 10.552 -3.863 1.219 1.00 1.00 N ATOM 938 CA GLY A 65 10.115 -4.396 -0.073 1.00 1.00 C ATOM 939 C GLY A 65 9.325 -3.350 -0.830 1.00 1.00 C ATOM 940 O GLY A 65 8.773 -2.423 -0.237 1.00 1.00 O ATOM 0 H GLY A 65 9.847 -3.922 1.953 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.981 -4.703 -0.659 1.00 1.00 H new ATOM 0 HA3 GLY A 65 9.502 -5.284 0.080 1.00 1.00 H new ATOM 944 N LEU A 66 9.254 -3.510 -2.149 1.00 1.00 N ATOM 945 CA LEU A 66 8.505 -2.557 -3.005 1.00 1.00 C ATOM 946 C LEU A 66 7.404 -3.300 -3.775 1.00 1.00 C ATOM 947 O LEU A 66 7.665 -4.099 -4.674 1.00 1.00 O ATOM 948 CB LEU A 66 9.492 -1.837 -3.989 1.00 1.00 C ATOM 949 CG LEU A 66 9.008 -0.381 -4.359 1.00 1.00 C ATOM 950 CD1 LEU A 66 7.567 -0.390 -4.941 1.00 1.00 C ATOM 951 CD2 LEU A 66 9.070 0.587 -3.117 1.00 1.00 C ATOM 0 H LEU A 66 9.696 -4.277 -2.656 1.00 1.00 H new ATOM 0 HA LEU A 66 8.032 -1.800 -2.379 1.00 1.00 H new ATOM 0 HB2 LEU A 66 10.481 -1.785 -3.535 1.00 1.00 H new ATOM 0 HB3 LEU A 66 9.590 -2.428 -4.900 1.00 1.00 H new ATOM 0 HG LEU A 66 9.693 -0.011 -5.122 1.00 1.00 H new ATOM 0 HD11 LEU A 66 7.267 0.629 -5.184 1.00 1.00 H new ATOM 0 HD12 LEU A 66 7.543 -1.001 -5.843 1.00 1.00 H new ATOM 0 HD13 LEU A 66 6.879 -0.805 -4.204 1.00 1.00 H new ATOM 0 HD21 LEU A 66 8.729 1.579 -3.412 1.00 1.00 H new ATOM 0 HD22 LEU A 66 8.428 0.203 -2.324 1.00 1.00 H new ATOM 0 HD23 LEU A 66 10.096 0.649 -2.755 1.00 1.00 H new ATOM 963 N ALA A 67 6.161 -3.013 -3.399 1.00 1.00 N ATOM 964 CA ALA A 67 4.987 -3.631 -4.034 1.00 1.00 C ATOM 965 C ALA A 67 4.350 -2.663 -5.027 1.00 1.00 C ATOM 966 O ALA A 67 4.484 -1.446 -4.908 1.00 1.00 O ATOM 967 CB ALA A 67 3.984 -4.006 -2.941 1.00 1.00 C ATOM 0 H ALA A 67 5.934 -2.354 -2.655 1.00 1.00 H new ATOM 0 HA ALA A 67 5.290 -4.524 -4.581 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.106 -4.466 -3.395 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.446 -4.710 -2.249 1.00 1.00 H new ATOM 0 HB3 ALA A 67 3.684 -3.109 -2.399 1.00 1.00 H new ATOM 973 N ARG A 68 3.651 -3.219 -6.012 1.00 1.00 N ATOM 974 CA ARG A 68 2.977 -2.410 -7.047 1.00 1.00 C ATOM 975 C ARG A 68 1.618 -3.021 -7.409 1.00 1.00 C ATOM 976 O ARG A 68 1.513 -4.181 -7.809 1.00 1.00 O ATOM 977 CB ARG A 68 3.883 -2.291 -8.296 1.00 1.00 C ATOM 978 CG ARG A 68 4.214 -3.683 -8.879 1.00 1.00 C ATOM 979 CD ARG A 68 5.188 -3.552 -10.061 1.00 1.00 C ATOM 980 NE ARG A 68 5.494 -4.894 -10.591 1.00 1.00 N ATOM 981 CZ ARG A 68 6.262 -5.771 -9.921 1.00 1.00 C ATOM 982 NH1 ARG A 68 6.835 -5.431 -8.796 1.00 1.00 N ATOM 983 NH2 ARG A 68 6.448 -6.973 -10.397 1.00 1.00 N ATOM 0 H ARG A 68 3.531 -4.226 -6.124 1.00 1.00 H new ATOM 0 HA ARG A 68 2.798 -1.409 -6.653 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.385 -1.685 -9.053 1.00 1.00 H new ATOM 0 HB3 ARG A 68 4.806 -1.775 -8.031 1.00 1.00 H new ATOM 0 HG2 ARG A 68 4.654 -4.313 -8.106 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.298 -4.174 -9.207 1.00 1.00 H new ATOM 0 HD2 ARG A 68 4.749 -2.931 -10.842 1.00 1.00 H new ATOM 0 HD3 ARG A 68 6.105 -3.058 -9.739 1.00 1.00 H new ATOM 0 HE ARG A 68 5.110 -5.166 -11.496 1.00 1.00 H new ATOM 0 HH11 ARG A 68 6.701 -4.493 -8.419 1.00 1.00 H new ATOM 0 HH12 ARG A 68 7.416 -6.104 -8.296 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.011 -7.246 -11.277 1.00 1.00 H new ATOM 0 HH22 ARG A 68 7.031 -7.638 -9.889 1.00 1.00 H new ATOM 997 N VAL A 69 0.577 -2.207 -7.267 1.00 1.00 N ATOM 998 CA VAL A 69 -0.796 -2.631 -7.579 1.00 1.00 C ATOM 999 C VAL A 69 -1.522 -1.503 -8.318 1.00 1.00 C ATOM 1000 O VAL A 69 -1.456 -0.335 -7.933 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.550 -2.989 -6.266 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.957 -3.566 -6.579 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.727 -4.033 -5.467 1.00 1.00 C ATOM 0 H VAL A 69 0.652 -1.245 -6.937 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.768 -3.515 -8.217 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.671 -2.081 -5.675 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.466 -3.809 -5.646 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.540 -2.826 -7.128 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.854 -4.468 -7.182 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -1.254 -4.285 -4.547 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.598 -4.932 -6.069 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.250 -3.616 -5.223 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.242 -1.878 -9.370 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.999 -0.896 -10.168 1.00 1.00 C ATOM 1015 C GLN A 70 -4.426 -0.793 -9.634 1.00 1.00 C ATOM 1016 O GLN A 70 -5.054 -1.810 -9.338 1.00 1.00 O ATOM 1017 CB GLN A 70 -3.017 -1.328 -11.652 1.00 1.00 C ATOM 1018 CG GLN A 70 -1.576 -1.335 -12.219 1.00 1.00 C ATOM 1019 CD GLN A 70 -1.570 -1.747 -13.693 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -2.627 -1.863 -14.319 1.00 1.00 O ATOM 1021 NE2 GLN A 70 -0.431 -1.982 -14.288 1.00 1.00 N ATOM 0 H GLN A 70 -2.323 -2.842 -9.694 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.518 0.079 -10.091 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.458 -2.320 -11.745 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -3.641 -0.646 -12.230 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -1.134 -0.344 -12.113 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -0.958 -2.023 -11.643 1.00 1.00 H new ATOM 0 HE21 GLN A 70 0.443 -1.886 -13.772 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -0.416 -2.261 -15.269 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.935 0.431 -9.530 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.301 0.682 -9.040 1.00 1.00 C ATOM 1032 C TRP A 71 -6.954 1.794 -9.877 1.00 1.00 C ATOM 1033 O TRP A 71 -6.389 2.867 -10.088 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.277 1.096 -7.542 1.00 1.00 C ATOM 1035 CG TRP A 71 -7.686 1.343 -7.055 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -8.665 0.413 -7.012 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.283 2.586 -6.578 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -9.827 1.003 -6.561 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -9.646 2.346 -6.279 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -7.782 3.883 -6.386 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -10.481 3.364 -5.809 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -8.614 4.910 -5.912 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -9.962 4.656 -5.629 1.00 1.00 C ATOM 0 H TRP A 71 -4.422 1.277 -9.779 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.881 -0.236 -9.137 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -5.809 0.312 -6.946 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -5.675 1.996 -7.414 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.555 -0.626 -7.287 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -10.713 0.510 -6.449 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -6.746 4.093 -6.605 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -11.517 3.158 -5.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -8.212 5.902 -5.765 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -10.600 5.451 -5.273 1.00 1.00 H new ATOM 1054 N LYS A 72 -8.172 1.516 -10.327 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.932 2.490 -11.136 1.00 1.00 C ATOM 1056 C LYS A 72 -9.898 3.257 -10.235 1.00 1.00 C ATOM 1057 O LYS A 72 -10.735 2.657 -9.559 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.715 1.758 -12.252 1.00 1.00 C ATOM 1059 CG LYS A 72 -10.395 2.778 -13.208 1.00 1.00 C ATOM 1060 CD LYS A 72 -11.118 2.040 -14.357 1.00 1.00 C ATOM 1061 CE LYS A 72 -11.765 3.062 -15.314 1.00 1.00 C ATOM 1062 NZ LYS A 72 -12.451 2.354 -16.430 1.00 1.00 N ATOM 0 H LYS A 72 -8.659 0.637 -10.154 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.238 3.191 -11.599 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -9.038 1.118 -12.818 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -10.470 1.110 -11.808 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -11.108 3.387 -12.653 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.647 3.457 -13.617 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.410 1.416 -14.902 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.881 1.376 -13.951 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -12.480 3.679 -14.770 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -11.003 3.732 -15.712 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -12.884 3.051 -17.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -11.759 1.784 -16.957 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -13.190 1.732 -16.044 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.791 4.583 -10.243 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.671 5.409 -9.416 1.00 1.00 C ATOM 1078 C ALA A 73 -12.111 5.309 -9.939 1.00 1.00 C ATOM 1079 O ALA A 73 -12.343 5.168 -11.141 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.194 6.871 -9.450 1.00 1.00 C ATOM 0 H ALA A 73 -9.116 5.104 -10.803 1.00 1.00 H new ATOM 0 HA ALA A 73 -10.642 5.053 -8.386 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.852 7.483 -8.833 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.176 6.931 -9.065 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -10.215 7.237 -10.477 1.00 1.00 H new ATOM 1086 N THR A 74 -13.068 5.389 -9.021 1.00 1.00 N ATOM 1087 CA THR A 74 -14.506 5.291 -9.373 1.00 1.00 C ATOM 1088 C THR A 74 -15.317 6.300 -8.577 1.00 1.00 C ATOM 1089 O THR A 74 -14.771 7.256 -8.027 1.00 1.00 O ATOM 1090 CB THR A 74 -15.034 3.862 -9.081 1.00 1.00 C ATOM 1091 OG1 THR A 74 -15.159 3.692 -7.676 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.069 2.793 -9.629 1.00 1.00 C ATOM 0 H THR A 74 -12.889 5.521 -8.026 1.00 1.00 H new ATOM 0 HA THR A 74 -14.613 5.505 -10.436 1.00 1.00 H new ATOM 0 HB THR A 74 -16.001 3.743 -9.571 1.00 1.00 H new ATOM 0 HG1 THR A 74 -15.494 2.791 -7.484 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.463 1.801 -9.411 1.00 1.00 H new ATOM 0 HG22 THR A 74 -13.967 2.914 -10.707 1.00 1.00 H new ATOM 0 HG23 THR A 74 -13.093 2.908 -9.157 1.00 1.00 H new ATOM 1254 N GLY A 85 -12.248 12.615 -0.098 1.00 1.00 N ATOM 1255 CA GLY A 85 -12.834 11.329 0.292 1.00 1.00 C ATOM 1256 C GLY A 85 -12.285 10.203 -0.568 1.00 1.00 C ATOM 1257 O GLY A 85 -12.967 9.676 -1.445 1.00 1.00 O ATOM 0 HA2 GLY A 85 -12.618 11.129 1.342 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -13.919 11.373 0.192 1.00 1.00 H new ATOM 1261 N VAL A 86 -11.034 9.836 -0.305 1.00 1.00 N ATOM 1262 CA VAL A 86 -10.378 8.745 -1.037 1.00 1.00 C ATOM 1263 C VAL A 86 -9.104 8.323 -0.274 1.00 1.00 C ATOM 1264 O VAL A 86 -8.019 8.396 -0.849 1.00 1.00 O ATOM 1265 CB VAL A 86 -10.078 9.218 -2.502 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -9.016 10.367 -2.549 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -9.602 8.038 -3.390 1.00 1.00 C ATOM 0 H VAL A 86 -10.451 10.274 0.408 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.025 7.870 -1.104 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.018 9.606 -2.895 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -8.842 10.660 -3.584 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -9.383 11.225 -1.986 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -8.082 10.017 -2.109 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -9.403 8.399 -4.399 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -8.691 7.611 -2.971 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -10.378 7.273 -3.425 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.216 7.875 0.947 1.00 1.00 N ATOM 1278 CA PRO A 87 -8.024 7.435 1.743 1.00 1.00 C ATOM 1279 C PRO A 87 -7.546 6.055 1.301 1.00 1.00 C ATOM 1280 O PRO A 87 -8.274 5.309 0.646 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.560 7.441 3.197 1.00 1.00 C ATOM 1282 CG PRO A 87 -9.996 7.027 3.033 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.468 7.739 1.744 1.00 1.00 C ATOM 0 HA PRO A 87 -7.151 8.075 1.619 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -8.010 6.746 3.832 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.474 8.427 3.654 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -10.088 5.945 2.943 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.595 7.327 3.893 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.220 7.154 1.214 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -10.914 8.710 1.961 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.319 5.717 1.683 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.720 4.406 1.331 1.00 1.00 C ATOM 1293 C VAL A 88 -5.139 3.747 2.587 1.00 1.00 C ATOM 1294 O VAL A 88 -4.444 4.381 3.382 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.607 4.593 0.263 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -4.063 3.215 -0.209 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -5.187 5.356 -0.952 1.00 1.00 C ATOM 0 H VAL A 88 -5.710 6.321 2.235 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.496 3.762 0.917 1.00 1.00 H new ATOM 0 HB VAL A 88 -3.788 5.160 0.706 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -3.285 3.368 -0.957 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -3.647 2.677 0.643 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -4.875 2.633 -0.645 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -4.409 5.489 -1.703 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -6.011 4.786 -1.380 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -5.550 6.332 -0.629 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.429 2.460 2.746 1.00 1.00 N ATOM 1308 CA TYR A 89 -4.941 1.669 3.895 1.00 1.00 C ATOM 1309 C TYR A 89 -4.268 0.387 3.398 1.00 1.00 C ATOM 1310 O TYR A 89 -4.644 -0.195 2.379 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.115 1.317 4.834 1.00 1.00 C ATOM 1312 CG TYR A 89 -6.698 2.610 5.426 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.087 3.204 6.550 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -7.830 3.221 4.854 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -6.605 4.389 7.090 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.343 4.404 5.403 1.00 1.00 C ATOM 1317 CZ TYR A 89 -7.733 4.984 6.517 1.00 1.00 C ATOM 1318 OH TYR A 89 -8.244 6.152 7.049 1.00 1.00 O ATOM 0 H TYR A 89 -6.004 1.929 2.093 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.213 2.262 4.448 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -6.885 0.776 4.285 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -5.772 0.660 5.633 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.217 2.744 6.996 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.304 2.777 3.991 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -6.133 4.843 7.949 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.213 4.869 4.963 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.028 6.432 6.531 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.268 -0.052 4.156 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.512 -1.269 3.817 1.00 1.00 C ATOM 1330 C ALA A 90 -2.087 -1.993 5.089 1.00 1.00 C ATOM 1331 O ALA A 90 -1.812 -1.371 6.114 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.270 -0.881 2.996 1.00 1.00 C ATOM 0 H ALA A 90 -2.957 0.411 5.010 1.00 1.00 H new ATOM 0 HA ALA A 90 -3.144 -1.936 3.230 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.706 -1.779 2.742 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.582 -0.377 2.081 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -0.641 -0.211 3.582 1.00 1.00 H new ATOM 1338 N VAL A 91 -2.039 -3.320 5.011 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.656 -4.164 6.156 1.00 1.00 C ATOM 1340 C VAL A 91 -0.720 -5.278 5.698 1.00 1.00 C ATOM 1341 O VAL A 91 -0.886 -5.857 4.625 1.00 1.00 O ATOM 1342 CB VAL A 91 -2.924 -4.784 6.807 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.557 -5.517 8.127 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -3.948 -3.668 7.112 1.00 1.00 C ATOM 0 H VAL A 91 -2.261 -3.844 4.164 1.00 1.00 H new ATOM 0 HA VAL A 91 -1.141 -3.544 6.890 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.355 -5.504 6.111 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.457 -5.944 8.568 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -1.844 -6.313 7.915 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -2.112 -4.808 8.825 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -4.837 -4.104 7.568 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.505 -2.946 7.798 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.226 -3.166 6.185 1.00 1.00 H new ATOM 1354 N VAL A 92 0.263 -5.582 6.541 1.00 1.00 N ATOM 1355 CA VAL A 92 1.239 -6.633 6.252 1.00 1.00 C ATOM 1356 C VAL A 92 0.692 -7.986 6.726 1.00 1.00 C ATOM 1357 O VAL A 92 0.138 -8.089 7.820 1.00 1.00 O ATOM 1358 CB VAL A 92 2.591 -6.303 6.960 1.00 1.00 C ATOM 1359 CG1 VAL A 92 3.705 -7.256 6.464 1.00 1.00 C ATOM 1360 CG2 VAL A 92 2.998 -4.841 6.647 1.00 1.00 C ATOM 0 H VAL A 92 0.407 -5.113 7.435 1.00 1.00 H new ATOM 0 HA VAL A 92 1.415 -6.687 5.178 1.00 1.00 H new ATOM 0 HB VAL A 92 2.463 -6.431 8.035 1.00 1.00 H new ATOM 0 HG11 VAL A 92 4.641 -7.014 6.966 1.00 1.00 H new ATOM 0 HG12 VAL A 92 3.429 -8.286 6.688 1.00 1.00 H new ATOM 0 HG13 VAL A 92 3.830 -7.140 5.387 1.00 1.00 H new ATOM 0 HG21 VAL A 92 3.942 -4.612 7.142 1.00 1.00 H new ATOM 0 HG22 VAL A 92 3.114 -4.718 5.570 1.00 1.00 H new ATOM 0 HG23 VAL A 92 2.225 -4.163 7.009 1.00 1.00 H new ATOM 1370 N ASP A 93 0.875 -9.017 5.909 1.00 1.00 N ATOM 1371 CA ASP A 93 0.391 -10.381 6.235 1.00 1.00 C ATOM 1372 C ASP A 93 0.640 -10.733 7.726 1.00 1.00 C ATOM 1373 O ASP A 93 1.650 -10.280 8.265 1.00 1.00 O ATOM 1374 CB ASP A 93 1.113 -11.399 5.324 1.00 1.00 C ATOM 1375 CG ASP A 93 2.622 -11.192 5.417 1.00 1.00 C ATOM 1376 OD1 ASP A 93 3.212 -11.719 6.345 1.00 1.00 O ATOM 1377 OD2 ASP A 93 3.163 -10.508 4.563 1.00 1.00 O ATOM 0 H ASP A 93 1.354 -8.948 5.011 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.685 -10.419 6.064 1.00 1.00 H new ATOM 0 HB2 ASP A 93 0.856 -12.415 5.623 1.00 1.00 H new ATOM 0 HB3 ASP A 93 0.782 -11.277 4.293 1.00 1.00 H new ATOM 1542 N ASN A 105 0.697 -0.720 14.898 1.00 1.00 N ATOM 1543 CA ASN A 105 2.093 -0.272 14.872 1.00 1.00 C ATOM 1544 C ASN A 105 2.559 -0.033 13.428 1.00 1.00 C ATOM 1545 O ASN A 105 3.064 1.041 13.099 1.00 1.00 O ATOM 1546 CB ASN A 105 2.983 -1.338 15.541 1.00 1.00 C ATOM 1547 CG ASN A 105 2.477 -1.626 16.951 1.00 1.00 C ATOM 1548 OD1 ASN A 105 2.472 -2.777 17.387 1.00 1.00 O ATOM 1549 ND2 ASN A 105 2.048 -0.641 17.694 1.00 1.00 N ATOM 0 HA ASN A 105 2.173 0.668 15.418 1.00 1.00 H new ATOM 0 HB2 ASN A 105 2.977 -2.253 14.949 1.00 1.00 H new ATOM 0 HB3 ASN A 105 4.015 -0.990 15.580 1.00 1.00 H new ATOM 0 HD21 ASN A 105 1.708 -0.825 18.638 1.00 1.00 H new ATOM 0 HD22 ASN A 105 2.053 0.312 17.330 1.00 1.00 H new ATOM 1556 N ASN A 106 2.387 -1.041 12.579 1.00 1.00 N ATOM 1557 CA ASN A 106 2.784 -0.957 11.156 1.00 1.00 C ATOM 1558 C ASN A 106 1.620 -0.435 10.298 1.00 1.00 C ATOM 1559 O ASN A 106 1.260 -1.031 9.282 1.00 1.00 O ATOM 1560 CB ASN A 106 3.218 -2.352 10.656 1.00 1.00 C ATOM 1561 CG ASN A 106 4.329 -2.904 11.543 1.00 1.00 C ATOM 1562 OD1 ASN A 106 5.477 -2.992 11.114 1.00 1.00 O ATOM 1563 ND2 ASN A 106 4.056 -3.279 12.763 1.00 1.00 N ATOM 0 H ASN A 106 1.974 -1.935 12.843 1.00 1.00 H new ATOM 0 HA ASN A 106 3.618 -0.261 11.067 1.00 1.00 H new ATOM 0 HB2 ASN A 106 2.365 -3.031 10.663 1.00 1.00 H new ATOM 0 HB3 ASN A 106 3.564 -2.286 9.625 1.00 1.00 H new ATOM 0 HD21 ASN A 106 4.796 -3.646 13.362 1.00 1.00 H new ATOM 0 HD22 ASN A 106 3.103 -3.205 13.118 1.00 1.00 H new ATOM 1570 N VAL A 107 1.050 0.692 10.716 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.082 1.318 9.986 1.00 1.00 C ATOM 1572 C VAL A 107 0.427 2.500 9.161 1.00 1.00 C ATOM 1573 O VAL A 107 1.195 3.326 9.654 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.170 1.807 10.995 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -0.646 2.987 11.873 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -2.451 2.268 10.239 1.00 1.00 C ATOM 0 H VAL A 107 1.342 1.199 11.551 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.526 0.578 9.320 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.409 0.964 11.644 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -1.428 3.302 12.563 1.00 1.00 H new ATOM 0 HG12 VAL A 107 0.227 2.660 12.438 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -0.370 3.824 11.231 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -3.197 2.605 10.959 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.201 3.088 9.565 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -2.853 1.435 9.663 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.021 2.583 7.913 1.00 1.00 N ATOM 1587 CA PHE A 108 0.381 3.678 7.017 1.00 1.00 C ATOM 1588 C PHE A 108 -0.802 4.090 6.143 1.00 1.00 C ATOM 1589 O PHE A 108 -1.516 3.252 5.593 1.00 1.00 O ATOM 1590 CB PHE A 108 1.571 3.230 6.135 1.00 1.00 C ATOM 1591 CG PHE A 108 2.701 2.706 7.036 1.00 1.00 C ATOM 1592 CD1 PHE A 108 3.367 3.590 7.909 1.00 1.00 C ATOM 1593 CD2 PHE A 108 3.077 1.341 7.018 1.00 1.00 C ATOM 1594 CE1 PHE A 108 4.387 3.119 8.750 1.00 1.00 C ATOM 1595 CE2 PHE A 108 4.094 0.879 7.864 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.750 1.767 8.726 1.00 1.00 C ATOM 0 H PHE A 108 -0.662 1.910 7.493 1.00 1.00 H new ATOM 0 HA PHE A 108 0.693 4.535 7.614 1.00 1.00 H new ATOM 0 HB2 PHE A 108 1.252 2.452 5.442 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.928 4.066 5.533 1.00 1.00 H new ATOM 0 HD1 PHE A 108 3.091 4.634 7.931 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.578 0.654 6.350 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.893 3.801 9.417 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.373 -0.164 7.851 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.537 1.408 9.373 1.00 1.00 H new ATOM 1606 N SER A 109 -0.982 5.400 6.003 1.00 1.00 N ATOM 1607 CA SER A 109 -2.075 5.949 5.200 1.00 1.00 C ATOM 1608 C SER A 109 -1.736 7.376 4.786 1.00 1.00 C ATOM 1609 O SER A 109 -1.115 8.130 5.535 1.00 1.00 O ATOM 1610 CB SER A 109 -3.376 5.933 6.023 1.00 1.00 C ATOM 1611 OG SER A 109 -3.657 4.596 6.411 1.00 1.00 O ATOM 0 H SER A 109 -0.384 6.104 6.436 1.00 1.00 H new ATOM 0 HA SER A 109 -2.212 5.342 4.305 1.00 1.00 H new ATOM 0 HB2 SER A 109 -3.273 6.568 6.903 1.00 1.00 H new ATOM 0 HB3 SER A 109 -4.200 6.336 5.434 1.00 1.00 H new ATOM 0 HG SER A 109 -4.588 4.381 6.195 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.165 7.745 3.583 1.00 1.00 N ATOM 1618 CA ARG A 110 -1.913 9.101 3.065 1.00 1.00 C ATOM 1619 C ARG A 110 -3.105 9.573 2.239 1.00 1.00 C ATOM 1620 O ARG A 110 -3.540 8.895 1.308 1.00 1.00 O ATOM 1621 CB ARG A 110 -0.626 9.100 2.199 1.00 1.00 C ATOM 1622 CG ARG A 110 -0.176 10.555 1.880 1.00 1.00 C ATOM 1623 CD ARG A 110 1.053 10.559 0.948 1.00 1.00 C ATOM 1624 NE ARG A 110 1.583 11.928 0.819 1.00 1.00 N ATOM 1625 CZ ARG A 110 0.931 12.891 0.154 1.00 1.00 C ATOM 1626 NH1 ARG A 110 -0.196 12.629 -0.445 1.00 1.00 N ATOM 1627 NH2 ARG A 110 1.423 14.099 0.097 1.00 1.00 N ATOM 0 H ARG A 110 -2.684 7.138 2.949 1.00 1.00 H new ATOM 0 HA ARG A 110 -1.775 9.785 3.902 1.00 1.00 H new ATOM 0 HB2 ARG A 110 0.171 8.574 2.725 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -0.807 8.558 1.271 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -0.996 11.099 1.410 1.00 1.00 H new ATOM 0 HG3 ARG A 110 0.063 11.077 2.806 1.00 1.00 H new ATOM 0 HD2 ARG A 110 1.823 9.898 1.345 1.00 1.00 H new ATOM 0 HD3 ARG A 110 0.777 10.173 -0.033 1.00 1.00 H new ATOM 0 HE ARG A 110 2.479 12.151 1.252 1.00 1.00 H new ATOM 0 HH11 ARG A 110 -0.586 11.687 -0.409 1.00 1.00 H new ATOM 0 HH12 ARG A 110 -0.688 13.366 -0.950 1.00 1.00 H new ATOM 0 HH21 ARG A 110 2.307 14.312 0.560 1.00 1.00 H new ATOM 0 HH22 ARG A 110 0.924 14.830 -0.410 1.00 1.00 H new ATOM 1641 N ILE A 111 -3.618 10.752 2.578 1.00 1.00 N ATOM 1642 CA ILE A 111 -4.754 11.339 1.871 1.00 1.00 C ATOM 1643 C ILE A 111 -4.225 12.171 0.698 1.00 1.00 C ATOM 1644 O ILE A 111 -3.160 12.784 0.768 1.00 1.00 O ATOM 1645 CB ILE A 111 -5.612 12.227 2.833 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -6.196 11.362 4.002 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -6.803 12.872 2.065 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -5.103 10.824 4.943 1.00 1.00 C ATOM 0 H ILE A 111 -3.262 11.324 3.344 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.399 10.544 1.497 1.00 1.00 H new ATOM 0 HB ILE A 111 -4.961 13.005 3.232 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -6.901 11.963 4.576 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -6.756 10.525 3.585 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.388 13.486 2.750 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -6.420 13.495 1.257 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -7.436 12.088 1.650 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -5.563 10.232 5.734 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -4.411 10.199 4.378 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -4.559 11.659 5.384 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.008 12.198 -0.375 1.00 1.00 N ATOM 1661 CA VAL A 112 -4.638 12.970 -1.591 1.00 1.00 C ATOM 1662 C VAL A 112 -5.859 13.729 -2.116 1.00 1.00 C ATOM 1663 O VAL A 112 -6.979 13.216 -2.116 1.00 1.00 O ATOM 1664 CB VAL A 112 -4.069 12.026 -2.698 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -2.668 11.507 -2.297 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -5.018 10.829 -2.919 1.00 1.00 C ATOM 0 H VAL A 112 -5.898 11.704 -0.443 1.00 1.00 H new ATOM 0 HA VAL A 112 -3.860 13.685 -1.324 1.00 1.00 H new ATOM 0 HB VAL A 112 -3.987 12.595 -3.624 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -2.286 10.851 -3.079 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -1.990 12.351 -2.168 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -2.739 10.953 -1.361 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -4.610 10.179 -3.693 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -5.119 10.268 -1.990 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -5.997 11.193 -3.231 1.00 1.00 H new ATOM 1676 N LYS A 113 -5.623 14.954 -2.575 1.00 1.00 N ATOM 1677 CA LYS A 113 -6.691 15.811 -3.117 1.00 1.00 C ATOM 1678 C LYS A 113 -6.740 15.677 -4.641 1.00 1.00 C ATOM 1679 O LYS A 113 -5.706 15.570 -5.301 1.00 1.00 O ATOM 1680 CB LYS A 113 -6.435 17.287 -2.720 1.00 1.00 C ATOM 1681 CG LYS A 113 -6.473 17.431 -1.178 1.00 1.00 C ATOM 1682 CD LYS A 113 -6.257 18.907 -0.765 1.00 1.00 C ATOM 1683 CE LYS A 113 -6.299 19.032 0.773 1.00 1.00 C ATOM 1684 NZ LYS A 113 -5.218 18.193 1.369 1.00 1.00 N ATOM 0 H LYS A 113 -4.698 15.384 -2.585 1.00 1.00 H new ATOM 0 HA LYS A 113 -7.649 15.495 -2.703 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -5.467 17.613 -3.101 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -7.189 17.931 -3.173 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -7.431 17.077 -0.798 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -5.701 16.805 -0.729 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -5.298 19.263 -1.142 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -7.028 19.535 -1.211 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -6.170 20.073 1.068 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -7.271 18.712 1.148 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -5.018 18.520 2.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -5.525 17.200 1.396 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -4.357 18.274 0.791 1.00 1.00 H new ATOM 1698 N VAL A 114 -7.952 15.693 -5.188 1.00 1.00 N ATOM 1699 CA VAL A 114 -8.171 15.566 -6.650 1.00 1.00 C ATOM 1700 C VAL A 114 -9.074 16.698 -7.150 1.00 1.00 C ATOM 1701 O VAL A 114 -10.090 17.027 -6.534 1.00 1.00 O ATOM 1702 CB VAL A 114 -8.793 14.170 -6.961 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -10.192 14.007 -6.313 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -8.919 13.951 -8.491 1.00 1.00 C ATOM 0 H VAL A 114 -8.811 15.793 -4.648 1.00 1.00 H new ATOM 0 HA VAL A 114 -7.217 15.646 -7.171 1.00 1.00 H new ATOM 0 HB VAL A 114 -8.121 13.424 -6.537 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -10.592 13.022 -6.553 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -10.106 14.110 -5.231 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -10.863 14.774 -6.699 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -9.355 12.971 -8.684 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -9.559 14.723 -8.918 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -7.931 14.005 -8.949 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.696 17.279 -8.284 1.00 1.00 N ATOM 1715 CA LEU A 115 -9.473 18.389 -8.890 1.00 1.00 C ATOM 1716 C LEU A 115 -10.242 17.875 -10.110 1.00 1.00 C ATOM 1717 O LEU A 115 -9.698 17.171 -10.963 1.00 1.00 O ATOM 1718 CB LEU A 115 -8.520 19.558 -9.294 1.00 1.00 C ATOM 1719 CG LEU A 115 -9.317 20.902 -9.602 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -9.569 21.712 -8.295 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -8.520 21.799 -10.589 1.00 1.00 C ATOM 0 H LEU A 115 -7.864 17.012 -8.810 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.187 18.768 -8.158 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -7.806 19.737 -8.490 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -7.945 19.269 -10.173 1.00 1.00 H new ATOM 0 HG LEU A 115 -10.271 20.618 -10.047 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -10.115 22.625 -8.532 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -10.155 21.109 -7.601 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -8.614 21.969 -7.836 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -9.082 22.712 -10.786 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -7.555 22.054 -10.151 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -8.363 21.261 -11.524 1.00 1.00 H new