USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.015 (180deg=-0.225) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.06 F(o=-0.97,f=0.06) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.0013) USER MOD Single : A 28 ASN : amide:sc= -0.0341 K(o=-0.034,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot -43:sc= 0.126 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0267) USER MOD Single : A 37 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.011) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0443) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 68 LYS NZ :NH3+ -175:sc=-0.000659 (180deg=-0.0421) USER MOD Single : A 74 ASN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 76 THR OG1 : rot 67:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 64 N VAL A 4 6.027 -15.572 1.067 1.00 0.00 N ATOM 65 CA VAL A 4 5.251 -14.576 0.395 1.00 0.00 C ATOM 66 C VAL A 4 3.869 -15.033 0.076 1.00 0.00 C ATOM 67 O VAL A 4 3.637 -16.227 -0.107 1.00 0.00 O ATOM 68 CB VAL A 4 5.930 -14.068 -0.841 1.00 0.00 C ATOM 69 CG1 VAL A 4 7.361 -13.592 -0.536 1.00 0.00 C ATOM 70 CG2 VAL A 4 5.996 -15.130 -1.952 1.00 0.00 C ATOM 0 HA VAL A 4 5.166 -13.751 1.102 1.00 0.00 H new ATOM 0 HB VAL A 4 5.325 -13.231 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.827 -13.230 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.328 -12.786 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.943 -14.422 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.497 -14.712 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.552 -15.996 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.986 -15.435 -2.224 1.00 0.00 H new ATOM 80 N ILE A 5 2.863 -14.143 -0.002 1.00 0.00 N ATOM 81 CA ILE A 5 1.519 -14.582 -0.215 1.00 0.00 C ATOM 82 C ILE A 5 1.241 -14.496 -1.676 1.00 0.00 C ATOM 83 O ILE A 5 1.185 -15.515 -2.363 1.00 0.00 O ATOM 84 CB ILE A 5 0.503 -13.850 0.612 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.727 -14.016 2.124 1.00 0.00 C ATOM 86 CG2 ILE A 5 -0.909 -14.369 0.289 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.972 -13.341 2.696 1.00 0.00 C ATOM 0 H ILE A 5 2.977 -13.133 0.081 1.00 0.00 H new ATOM 0 HA ILE A 5 1.427 -15.614 0.125 1.00 0.00 H new ATOM 0 HB ILE A 5 0.610 -12.795 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.146 -13.624 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.780 -15.081 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.641 -13.833 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.123 -14.208 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.965 -15.434 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.026 -13.526 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.861 -13.747 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.920 -12.267 2.515 1.00 0.00 H new ATOM 99 N ALA A 6 1.079 -13.273 -2.214 1.00 0.00 N ATOM 100 CA ALA A 6 0.571 -13.116 -3.542 1.00 0.00 C ATOM 101 C ALA A 6 0.911 -11.820 -4.191 1.00 0.00 C ATOM 102 O ALA A 6 1.416 -10.881 -3.577 1.00 0.00 O ATOM 103 CB ALA A 6 -0.964 -13.215 -3.502 1.00 0.00 C ATOM 0 H ALA A 6 1.298 -12.400 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 6 1.040 -13.905 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.363 -13.097 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.256 -14.189 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.363 -12.430 -2.860 1.00 0.00 H new ATOM 109 N THR A 7 0.595 -11.706 -5.494 1.00 0.00 N ATOM 110 CA THR A 7 0.591 -10.518 -6.290 1.00 0.00 C ATOM 111 C THR A 7 -0.801 -10.080 -6.594 1.00 0.00 C ATOM 112 O THR A 7 -1.731 -10.884 -6.594 1.00 0.00 O ATOM 113 CB THR A 7 1.304 -10.681 -7.600 1.00 0.00 C ATOM 114 OG1 THR A 7 0.726 -11.683 -8.424 1.00 0.00 O ATOM 115 CG2 THR A 7 2.767 -11.085 -7.348 1.00 0.00 C ATOM 0 H THR A 7 0.317 -12.523 -6.038 1.00 0.00 H new ATOM 0 HA THR A 7 1.116 -9.774 -5.690 1.00 0.00 H new ATOM 0 HB THR A 7 1.227 -9.721 -8.110 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.228 -11.746 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.281 -11.202 -8.302 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.262 -10.311 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.795 -12.028 -6.802 1.00 0.00 H new ATOM 123 N LYS A 8 -0.990 -8.780 -6.882 1.00 0.00 N ATOM 124 CA LYS A 8 -2.223 -8.171 -7.274 1.00 0.00 C ATOM 125 C LYS A 8 -3.384 -8.397 -6.369 1.00 0.00 C ATOM 126 O LYS A 8 -4.446 -8.897 -6.736 1.00 0.00 O ATOM 127 CB LYS A 8 -2.578 -8.459 -8.743 1.00 0.00 C ATOM 128 CG LYS A 8 -1.494 -8.008 -9.725 1.00 0.00 C ATOM 129 CD LYS A 8 -1.900 -8.177 -11.190 1.00 0.00 C ATOM 130 CE LYS A 8 -3.020 -7.234 -11.633 1.00 0.00 C ATOM 131 NZ LYS A 8 -3.227 -7.317 -13.097 1.00 0.00 N ATOM 0 H LYS A 8 -0.225 -8.107 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.017 -7.106 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.748 -9.529 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.514 -7.957 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.257 -6.960 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.584 -8.578 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.027 -8.011 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.219 -9.207 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.944 -7.491 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.772 -6.210 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.991 -6.669 -13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.350 -7.050 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.486 -8.290 -13.356 1.00 0.00 H new ATOM 145 N VAL A 9 -3.211 -8.008 -5.093 1.00 0.00 N ATOM 146 CA VAL A 9 -4.104 -8.176 -3.989 1.00 0.00 C ATOM 147 C VAL A 9 -4.722 -6.852 -3.700 1.00 0.00 C ATOM 148 O VAL A 9 -4.088 -5.814 -3.887 1.00 0.00 O ATOM 149 CB VAL A 9 -3.351 -8.665 -2.787 1.00 0.00 C ATOM 150 CG1 VAL A 9 -4.336 -9.181 -1.726 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.379 -9.789 -3.184 1.00 0.00 C ATOM 0 H VAL A 9 -2.358 -7.527 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.872 -8.911 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.778 -7.835 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.782 -9.534 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.004 -8.374 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.921 -10.002 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.840 -10.133 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.939 -10.619 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.668 -9.412 -3.919 1.00 0.00 H new ATOM 161 N LEU A 10 -5.999 -6.803 -3.281 1.00 0.00 N ATOM 162 CA LEU A 10 -6.684 -5.584 -2.980 1.00 0.00 C ATOM 163 C LEU A 10 -6.816 -5.426 -1.503 1.00 0.00 C ATOM 164 O LEU A 10 -6.880 -6.409 -0.766 1.00 0.00 O ATOM 165 CB LEU A 10 -8.079 -5.549 -3.627 1.00 0.00 C ATOM 166 CG LEU A 10 -8.153 -5.082 -5.091 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.835 -3.584 -5.224 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.267 -5.899 -6.047 1.00 0.00 C ATOM 0 H LEU A 10 -6.572 -7.636 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.097 -4.762 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.506 -6.550 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.714 -4.895 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.186 -5.256 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.897 -3.291 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.553 -3.006 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.829 -3.391 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.372 -5.512 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.226 -5.821 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.575 -6.944 -6.025 1.00 0.00 H new ATOM 180 N GLY A 11 -6.845 -4.184 -0.989 1.00 0.00 N ATOM 181 CA GLY A 11 -7.000 -3.953 0.414 1.00 0.00 C ATOM 182 C GLY A 11 -7.273 -2.512 0.676 1.00 0.00 C ATOM 183 O GLY A 11 -7.359 -1.706 -0.249 1.00 0.00 O ATOM 0 H GLY A 11 -6.761 -3.335 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.818 -4.561 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.097 -4.260 0.942 1.00 0.00 H new ATOM 187 N THR A 12 -7.438 -2.148 1.960 1.00 0.00 N ATOM 188 CA THR A 12 -7.958 -0.882 2.377 1.00 0.00 C ATOM 189 C THR A 12 -6.938 -0.092 3.124 1.00 0.00 C ATOM 190 O THR A 12 -6.273 -0.610 4.020 1.00 0.00 O ATOM 191 CB THR A 12 -9.177 -1.024 3.239 1.00 0.00 C ATOM 192 OG1 THR A 12 -10.289 -1.398 2.438 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.601 0.281 3.932 1.00 0.00 C ATOM 0 H THR A 12 -7.199 -2.761 2.740 1.00 0.00 H new ATOM 0 HA THR A 12 -8.232 -0.357 1.462 1.00 0.00 H new ATOM 0 HB THR A 12 -8.909 -1.767 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.083 -1.492 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.489 0.100 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.792 0.633 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.823 1.037 3.179 1.00 0.00 H new ATOM 201 N VAL A 13 -6.782 1.204 2.796 1.00 0.00 N ATOM 202 CA VAL A 13 -5.933 2.110 3.506 1.00 0.00 C ATOM 203 C VAL A 13 -6.728 3.119 4.261 1.00 0.00 C ATOM 204 O VAL A 13 -7.777 3.583 3.819 1.00 0.00 O ATOM 205 CB VAL A 13 -4.914 2.733 2.598 1.00 0.00 C ATOM 206 CG1 VAL A 13 -5.535 3.736 1.611 1.00 0.00 C ATOM 207 CG2 VAL A 13 -3.761 3.369 3.393 1.00 0.00 C ATOM 0 H VAL A 13 -7.265 1.636 2.008 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.375 1.538 4.247 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.499 1.922 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.753 4.156 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.270 3.226 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.023 4.538 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.043 3.810 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.156 4.144 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.266 2.604 3.991 1.00 0.00 H new ATOM 217 N LYS A 14 -6.289 3.501 5.475 1.00 0.00 N ATOM 218 CA LYS A 14 -6.861 4.564 6.242 1.00 0.00 C ATOM 219 C LYS A 14 -6.033 5.796 6.104 1.00 0.00 C ATOM 220 O LYS A 14 -6.288 6.624 5.231 1.00 0.00 O ATOM 221 CB LYS A 14 -7.057 4.151 7.711 1.00 0.00 C ATOM 222 CG LYS A 14 -7.721 5.207 8.597 1.00 0.00 C ATOM 223 CD LYS A 14 -7.823 4.804 10.068 1.00 0.00 C ATOM 224 CE LYS A 14 -9.102 4.061 10.461 1.00 0.00 C ATOM 225 NZ LYS A 14 -10.283 4.943 10.332 1.00 0.00 N ATOM 0 H LYS A 14 -5.502 3.049 5.941 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.854 4.786 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.660 3.243 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.084 3.902 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.157 6.137 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.722 5.410 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.968 4.175 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.744 5.703 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.227 3.183 9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.020 3.704 11.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.080 4.536 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.057 5.883 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.543 5.030 9.329 1.00 0.00 H new ATOM 239 N TRP A 15 -5.001 5.962 6.949 1.00 0.00 N ATOM 240 CA TRP A 15 -4.122 7.091 6.955 1.00 0.00 C ATOM 241 C TRP A 15 -2.762 6.664 6.520 1.00 0.00 C ATOM 242 O TRP A 15 -2.198 5.712 7.058 1.00 0.00 O ATOM 243 CB TRP A 15 -3.982 7.700 8.360 1.00 0.00 C ATOM 244 CG TRP A 15 -5.222 8.278 8.999 1.00 0.00 C ATOM 245 CD1 TRP A 15 -6.328 8.846 8.435 1.00 0.00 C ATOM 246 CD2 TRP A 15 -5.378 8.424 10.424 1.00 0.00 C ATOM 247 NE1 TRP A 15 -7.168 9.317 9.410 1.00 0.00 N ATOM 248 CE2 TRP A 15 -6.610 9.053 10.639 1.00 0.00 C ATOM 249 CE3 TRP A 15 -4.567 8.094 11.474 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -7.036 9.347 11.904 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -5.004 8.400 12.741 1.00 0.00 C ATOM 252 CH2 TRP A 15 -6.218 9.011 12.956 1.00 0.00 C ATOM 0 H TRP A 15 -4.767 5.274 7.665 1.00 0.00 H new ATOM 0 HA TRP A 15 -4.547 7.834 6.280 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.591 6.928 9.023 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.231 8.488 8.311 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.514 8.914 7.373 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.060 9.786 9.251 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.615 7.609 11.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.988 9.829 12.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.380 8.155 13.588 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.532 9.230 13.966 1.00 0.00 H new ATOM 263 N PHE A 16 -2.165 7.361 5.536 1.00 0.00 N ATOM 264 CA PHE A 16 -0.804 7.138 5.158 1.00 0.00 C ATOM 265 C PHE A 16 -0.116 8.430 4.877 1.00 0.00 C ATOM 266 O PHE A 16 -0.741 9.431 4.531 1.00 0.00 O ATOM 267 CB PHE A 16 -0.631 6.098 4.039 1.00 0.00 C ATOM 268 CG PHE A 16 -1.031 6.556 2.677 1.00 0.00 C ATOM 269 CD1 PHE A 16 -2.355 6.588 2.305 1.00 0.00 C ATOM 270 CD2 PHE A 16 -0.068 6.920 1.766 1.00 0.00 C ATOM 271 CE1 PHE A 16 -2.717 6.979 1.037 1.00 0.00 C ATOM 272 CE2 PHE A 16 -0.421 7.307 0.494 1.00 0.00 C ATOM 273 CZ PHE A 16 -1.746 7.336 0.130 1.00 0.00 C ATOM 0 H PHE A 16 -2.633 8.089 4.996 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.308 6.683 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.414 5.791 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.215 5.214 4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.117 6.303 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.974 6.902 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.759 7.006 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.342 7.588 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.025 7.639 -0.868 1.00 0.00 H new ATOM 283 N ASN A 17 1.222 8.477 5.007 1.00 0.00 N ATOM 284 CA ASN A 17 1.986 9.663 4.774 1.00 0.00 C ATOM 285 C ASN A 17 2.345 9.803 3.335 1.00 0.00 C ATOM 286 O ASN A 17 3.261 9.151 2.835 1.00 0.00 O ATOM 287 CB ASN A 17 3.246 9.630 5.656 1.00 0.00 C ATOM 288 CG ASN A 17 4.083 10.892 5.510 1.00 0.00 C ATOM 289 OD1 ASN A 17 5.308 10.727 4.942 1.00 0.00 O flip ATOM 290 ND2 ASN A 17 3.678 12.007 5.835 1.00 0.00 N flip ATOM 0 H ASN A 17 1.786 7.672 5.280 1.00 0.00 H new ATOM 0 HA ASN A 17 1.383 10.532 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.954 9.508 6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.850 8.763 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.756 12.111 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.264 12.828 5.680 1.00 0.00 H new ATOM 297 N VAL A 18 1.649 10.705 2.620 1.00 0.00 N ATOM 298 CA VAL A 18 1.807 10.940 1.218 1.00 0.00 C ATOM 299 C VAL A 18 3.084 11.599 0.821 1.00 0.00 C ATOM 300 O VAL A 18 3.691 11.227 -0.182 1.00 0.00 O ATOM 301 CB VAL A 18 0.645 11.732 0.698 1.00 0.00 C ATOM 302 CG1 VAL A 18 0.746 12.016 -0.811 1.00 0.00 C ATOM 303 CG2 VAL A 18 -0.666 10.964 0.938 1.00 0.00 C ATOM 0 H VAL A 18 0.938 11.302 3.043 1.00 0.00 H new ATOM 0 HA VAL A 18 1.843 9.949 0.766 1.00 0.00 H new ATOM 0 HB VAL A 18 0.658 12.680 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.122 12.592 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.654 12.584 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.778 11.073 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.504 11.547 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.626 10.005 0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.798 10.794 2.007 1.00 0.00 H new ATOM 313 N ARG A 19 3.629 12.514 1.643 1.00 0.00 N ATOM 314 CA ARG A 19 4.768 13.318 1.327 1.00 0.00 C ATOM 315 C ARG A 19 6.017 12.538 1.094 1.00 0.00 C ATOM 316 O ARG A 19 6.712 12.727 0.097 1.00 0.00 O ATOM 317 CB ARG A 19 4.993 14.357 2.440 1.00 0.00 C ATOM 318 CG ARG A 19 6.145 15.338 2.219 1.00 0.00 C ATOM 319 CD ARG A 19 6.024 16.225 0.977 1.00 0.00 C ATOM 320 NE ARG A 19 7.239 17.088 0.977 1.00 0.00 N ATOM 321 CZ ARG A 19 7.266 18.409 0.636 1.00 0.00 C ATOM 322 NH1 ARG A 19 6.154 19.093 0.236 1.00 0.00 N ATOM 323 NH2 ARG A 19 8.442 19.092 0.752 1.00 0.00 N ATOM 0 H ARG A 19 3.256 12.702 2.574 1.00 0.00 H new ATOM 0 HA ARG A 19 4.543 13.811 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.074 14.929 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.169 13.826 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.226 15.980 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.074 14.772 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.971 15.623 0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.116 16.827 1.013 1.00 0.00 H new ATOM 0 HE ARG A 19 8.121 16.657 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.254 18.616 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.223 20.081 -0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.278 18.614 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.485 20.080 0.503 1.00 0.00 H new ATOM 337 N ASN A 20 6.313 11.559 1.967 1.00 0.00 N ATOM 338 CA ASN A 20 7.344 10.597 1.726 1.00 0.00 C ATOM 339 C ASN A 20 6.828 9.485 0.879 1.00 0.00 C ATOM 340 O ASN A 20 7.493 9.013 -0.042 1.00 0.00 O ATOM 341 CB ASN A 20 7.918 10.044 3.042 1.00 0.00 C ATOM 342 CG ASN A 20 9.210 9.258 2.857 1.00 0.00 C ATOM 343 OD1 ASN A 20 9.264 8.044 3.041 1.00 0.00 O ATOM 344 ND2 ASN A 20 10.297 9.970 2.457 1.00 0.00 N ATOM 0 H ASN A 20 5.828 11.433 2.856 1.00 0.00 H new ATOM 0 HA ASN A 20 8.152 11.101 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.101 10.872 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.174 9.400 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.187 9.497 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.222 10.977 2.312 1.00 0.00 H new ATOM 351 N GLY A 21 5.605 8.998 1.150 1.00 0.00 N ATOM 352 CA GLY A 21 5.057 7.833 0.528 1.00 0.00 C ATOM 353 C GLY A 21 5.285 6.635 1.384 1.00 0.00 C ATOM 354 O GLY A 21 5.845 5.632 0.947 1.00 0.00 O ATOM 0 H GLY A 21 4.975 9.430 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.989 7.970 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.517 7.683 -0.449 1.00 0.00 H new ATOM 358 N TYR A 22 4.865 6.721 2.660 1.00 0.00 N ATOM 359 CA TYR A 22 5.188 5.757 3.665 1.00 0.00 C ATOM 360 C TYR A 22 3.974 5.435 4.468 1.00 0.00 C ATOM 361 O TYR A 22 3.072 6.258 4.616 1.00 0.00 O ATOM 362 CB TYR A 22 6.313 6.296 4.564 1.00 0.00 C ATOM 363 CG TYR A 22 7.183 5.213 5.103 1.00 0.00 C ATOM 364 CD1 TYR A 22 8.149 4.669 4.290 1.00 0.00 C ATOM 365 CD2 TYR A 22 7.071 4.768 6.399 1.00 0.00 C ATOM 366 CE1 TYR A 22 9.016 3.715 4.769 1.00 0.00 C ATOM 367 CE2 TYR A 22 7.930 3.811 6.881 1.00 0.00 C ATOM 368 CZ TYR A 22 8.907 3.282 6.070 1.00 0.00 C ATOM 369 OH TYR A 22 9.796 2.301 6.557 1.00 0.00 O ATOM 0 H TYR A 22 4.283 7.485 3.002 1.00 0.00 H new ATOM 0 HA TYR A 22 5.538 4.841 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.923 6.998 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.876 6.852 5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.228 4.995 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.303 5.173 7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.781 3.307 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.838 3.472 7.902 1.00 0.00 H new ATOM 0 HH TYR A 22 9.586 2.106 7.494 1.00 0.00 H new ATOM 379 N GLY A 23 3.901 4.213 5.024 1.00 0.00 N ATOM 380 CA GLY A 23 2.815 3.787 5.853 1.00 0.00 C ATOM 381 C GLY A 23 2.473 2.355 5.620 1.00 0.00 C ATOM 382 O GLY A 23 3.295 1.572 5.149 1.00 0.00 O ATOM 0 H GLY A 23 4.618 3.500 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.078 3.933 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.941 4.407 5.655 1.00 0.00 H new ATOM 386 N PHE A 24 1.233 1.972 5.972 1.00 0.00 N ATOM 387 CA PHE A 24 0.778 0.621 5.866 1.00 0.00 C ATOM 388 C PHE A 24 -0.661 0.523 5.492 1.00 0.00 C ATOM 389 O PHE A 24 -1.488 1.393 5.764 1.00 0.00 O ATOM 390 CB PHE A 24 1.103 -0.225 7.109 1.00 0.00 C ATOM 391 CG PHE A 24 0.866 0.527 8.374 1.00 0.00 C ATOM 392 CD1 PHE A 24 -0.398 0.645 8.903 1.00 0.00 C ATOM 393 CD2 PHE A 24 1.929 1.100 9.033 1.00 0.00 C ATOM 394 CE1 PHE A 24 -0.601 1.354 10.063 1.00 0.00 C ATOM 395 CE2 PHE A 24 1.732 1.807 10.195 1.00 0.00 C ATOM 396 CZ PHE A 24 0.464 1.931 10.714 1.00 0.00 C ATOM 0 H PHE A 24 0.531 2.615 6.338 1.00 0.00 H new ATOM 0 HA PHE A 24 1.347 0.191 5.042 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.491 -1.127 7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.144 -0.545 7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.235 0.178 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.927 0.993 8.634 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.598 1.458 10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.571 2.264 10.699 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.305 2.480 11.630 1.00 0.00 H new ATOM 406 N ILE A 25 -1.023 -0.607 4.860 1.00 0.00 N ATOM 407 CA ILE A 25 -2.337 -0.902 4.378 1.00 0.00 C ATOM 408 C ILE A 25 -2.895 -1.974 5.250 1.00 0.00 C ATOM 409 O ILE A 25 -2.153 -2.668 5.944 1.00 0.00 O ATOM 410 CB ILE A 25 -2.351 -1.432 2.974 1.00 0.00 C ATOM 411 CG1 ILE A 25 -1.266 -0.819 2.074 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.716 -1.211 2.303 1.00 0.00 C ATOM 413 CD1 ILE A 25 -1.409 0.680 1.815 1.00 0.00 C ATOM 0 H ILE A 25 -0.359 -1.359 4.675 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.910 0.025 4.392 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.145 -2.497 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.293 -1.002 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.273 -1.340 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.691 -1.607 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.489 -1.725 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.937 -0.144 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.597 1.017 1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.364 0.876 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.368 1.218 2.762 1.00 0.00 H new ATOM 425 N ASN A 26 -4.224 -2.178 5.242 1.00 0.00 N ATOM 426 CA ASN A 26 -4.857 -3.290 5.883 1.00 0.00 C ATOM 427 C ASN A 26 -5.224 -4.309 4.860 1.00 0.00 C ATOM 428 O ASN A 26 -6.209 -4.187 4.134 1.00 0.00 O ATOM 429 CB ASN A 26 -6.072 -2.780 6.676 1.00 0.00 C ATOM 430 CG ASN A 26 -6.449 -3.664 7.857 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.568 -4.158 7.980 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.483 -3.848 8.796 1.00 0.00 N ATOM 0 H ASN A 26 -4.879 -1.551 4.775 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.181 -3.774 6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.861 -1.774 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.927 -2.703 6.004 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.679 -4.407 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.562 -3.427 8.670 1.00 0.00 H new ATOM 439 N ARG A 27 -4.407 -5.372 4.740 1.00 0.00 N ATOM 440 CA ARG A 27 -4.685 -6.568 4.009 1.00 0.00 C ATOM 441 C ARG A 27 -5.917 -7.284 4.447 1.00 0.00 C ATOM 442 O ARG A 27 -6.072 -7.643 5.613 1.00 0.00 O ATOM 443 CB ARG A 27 -3.455 -7.484 4.122 1.00 0.00 C ATOM 444 CG ARG A 27 -3.661 -8.949 3.731 1.00 0.00 C ATOM 445 CD ARG A 27 -2.390 -9.800 3.757 1.00 0.00 C ATOM 446 NE ARG A 27 -2.808 -11.191 3.421 1.00 0.00 N ATOM 447 CZ ARG A 27 -2.326 -12.315 4.026 1.00 0.00 C ATOM 448 NH1 ARG A 27 -1.306 -12.275 4.933 1.00 0.00 N ATOM 449 NH2 ARG A 27 -2.865 -13.531 3.718 1.00 0.00 N ATOM 0 H ARG A 27 -3.490 -5.395 5.185 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.883 -6.287 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.663 -7.071 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.098 -7.452 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.393 -9.392 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.088 -8.987 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.660 -9.429 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.918 -9.763 4.739 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.505 -11.311 2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.877 -11.383 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.973 -13.137 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.624 -13.595 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.509 -14.375 4.167 1.00 0.00 H new ATOM 463 N ASN A 28 -6.839 -7.540 3.503 1.00 0.00 N ATOM 464 CA ASN A 28 -8.175 -8.004 3.719 1.00 0.00 C ATOM 465 C ASN A 28 -8.395 -9.251 4.503 1.00 0.00 C ATOM 466 O ASN A 28 -9.244 -9.283 5.393 1.00 0.00 O ATOM 467 CB ASN A 28 -8.961 -8.014 2.398 1.00 0.00 C ATOM 468 CG ASN A 28 -8.405 -8.846 1.250 1.00 0.00 C ATOM 469 OD1 ASN A 28 -7.468 -9.637 1.342 1.00 0.00 O ATOM 470 ND2 ASN A 28 -9.016 -8.638 0.053 1.00 0.00 N ATOM 0 H ASN A 28 -6.634 -7.412 2.512 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.568 -7.260 4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.970 -8.368 2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.050 -6.984 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.698 -9.140 -0.776 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.793 -7.980 -0.016 1.00 0.00 H new ATOM 477 N ASP A 29 -7.677 -10.353 4.221 1.00 0.00 N ATOM 478 CA ASP A 29 -7.995 -11.639 4.760 1.00 0.00 C ATOM 479 C ASP A 29 -7.796 -11.801 6.227 1.00 0.00 C ATOM 480 O ASP A 29 -8.661 -12.318 6.931 1.00 0.00 O ATOM 481 CB ASP A 29 -7.239 -12.730 3.981 1.00 0.00 C ATOM 482 CG ASP A 29 -7.953 -14.073 4.056 1.00 0.00 C ATOM 483 OD1 ASP A 29 -8.865 -14.300 3.218 1.00 0.00 O ATOM 484 OD2 ASP A 29 -7.628 -14.904 4.945 1.00 0.00 O ATOM 0 H ASP A 29 -6.862 -10.351 3.608 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.072 -11.743 4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.138 -12.429 2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.231 -12.831 4.382 1.00 0.00 H new ATOM 489 N THR A 30 -6.651 -11.369 6.785 1.00 0.00 N ATOM 490 CA THR A 30 -6.324 -11.680 8.143 1.00 0.00 C ATOM 491 C THR A 30 -5.763 -10.447 8.762 1.00 0.00 C ATOM 492 O THR A 30 -5.053 -10.465 9.765 1.00 0.00 O ATOM 493 CB THR A 30 -5.434 -12.885 8.228 1.00 0.00 C ATOM 494 OG1 THR A 30 -5.315 -13.381 9.552 1.00 0.00 O ATOM 495 CG2 THR A 30 -4.027 -12.595 7.678 1.00 0.00 C ATOM 0 H THR A 30 -5.953 -10.806 6.298 1.00 0.00 H new ATOM 0 HA THR A 30 -7.208 -11.969 8.711 1.00 0.00 H new ATOM 0 HB THR A 30 -5.914 -13.646 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.194 -12.632 10.172 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.413 -13.492 7.757 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.100 -12.296 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.570 -11.791 8.254 1.00 0.00 H new ATOM 503 N LYS A 31 -6.142 -9.298 8.172 1.00 0.00 N ATOM 504 CA LYS A 31 -5.976 -7.984 8.710 1.00 0.00 C ATOM 505 C LYS A 31 -4.555 -7.607 8.957 1.00 0.00 C ATOM 506 O LYS A 31 -4.164 -7.147 10.029 1.00 0.00 O ATOM 507 CB LYS A 31 -6.877 -7.763 9.937 1.00 0.00 C ATOM 508 CG LYS A 31 -8.374 -7.693 9.633 1.00 0.00 C ATOM 509 CD LYS A 31 -9.105 -9.037 9.667 1.00 0.00 C ATOM 510 CE LYS A 31 -10.588 -8.978 9.294 1.00 0.00 C ATOM 511 NZ LYS A 31 -11.338 -8.106 10.227 1.00 0.00 N ATOM 0 H LYS A 31 -6.595 -9.288 7.258 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.308 -7.294 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.703 -8.571 10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.577 -6.837 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.844 -7.022 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.509 -7.248 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.602 -9.724 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.014 -9.457 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.696 -8.604 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.011 -9.983 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.351 -8.137 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.198 -8.439 11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.993 -7.129 10.142 1.00 0.00 H new ATOM 525 N GLU A 32 -3.699 -7.810 7.940 1.00 0.00 N ATOM 526 CA GLU A 32 -2.290 -7.714 8.157 1.00 0.00 C ATOM 527 C GLU A 32 -1.706 -6.456 7.612 1.00 0.00 C ATOM 528 O GLU A 32 -2.236 -5.797 6.719 1.00 0.00 O ATOM 529 CB GLU A 32 -1.689 -8.968 7.499 1.00 0.00 C ATOM 530 CG GLU A 32 -1.391 -10.049 8.541 1.00 0.00 C ATOM 531 CD GLU A 32 -0.137 -9.784 9.362 1.00 0.00 C ATOM 532 OE1 GLU A 32 0.375 -8.634 9.407 1.00 0.00 O ATOM 533 OE2 GLU A 32 0.380 -10.768 9.955 1.00 0.00 O ATOM 0 H GLU A 32 -3.975 -8.036 6.985 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.061 -7.671 9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.382 -9.358 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.772 -8.702 6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.243 -10.135 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.286 -11.009 8.035 1.00 0.00 H new ATOM 540 N ASP A 33 -0.555 -6.087 8.203 1.00 0.00 N ATOM 541 CA ASP A 33 0.079 -4.829 7.964 1.00 0.00 C ATOM 542 C ASP A 33 0.961 -4.905 6.765 1.00 0.00 C ATOM 543 O ASP A 33 1.899 -5.699 6.719 1.00 0.00 O ATOM 544 CB ASP A 33 0.844 -4.361 9.213 1.00 0.00 C ATOM 545 CG ASP A 33 -0.125 -4.271 10.383 1.00 0.00 C ATOM 546 OD1 ASP A 33 -1.110 -3.487 10.326 1.00 0.00 O ATOM 547 OD2 ASP A 33 0.106 -4.985 11.396 1.00 0.00 O ATOM 0 H ASP A 33 -0.053 -6.679 8.864 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.689 -4.084 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.650 -5.058 9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.305 -3.390 9.030 1.00 0.00 H new ATOM 552 N VAL A 34 0.667 -4.081 5.743 1.00 0.00 N ATOM 553 CA VAL A 34 1.270 -4.166 4.448 1.00 0.00 C ATOM 554 C VAL A 34 2.176 -2.990 4.328 1.00 0.00 C ATOM 555 O VAL A 34 1.721 -1.866 4.126 1.00 0.00 O ATOM 556 CB VAL A 34 0.220 -4.062 3.382 1.00 0.00 C ATOM 557 CG1 VAL A 34 0.810 -3.971 1.965 1.00 0.00 C ATOM 558 CG2 VAL A 34 -0.761 -5.245 3.455 1.00 0.00 C ATOM 0 H VAL A 34 -0.016 -3.327 5.821 1.00 0.00 H new ATOM 0 HA VAL A 34 1.799 -5.112 4.331 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.313 -3.131 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.001 -3.898 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.445 -3.088 1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.403 -4.862 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.512 -5.144 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.216 -6.179 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.252 -5.251 4.428 1.00 0.00 H new ATOM 568 N PHE A 35 3.501 -3.181 4.468 1.00 0.00 N ATOM 569 CA PHE A 35 4.398 -2.067 4.491 1.00 0.00 C ATOM 570 C PHE A 35 4.772 -1.569 3.138 1.00 0.00 C ATOM 571 O PHE A 35 5.169 -2.308 2.239 1.00 0.00 O ATOM 572 CB PHE A 35 5.672 -2.415 5.281 1.00 0.00 C ATOM 573 CG PHE A 35 5.333 -2.780 6.685 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.803 -1.831 7.528 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.525 -4.059 7.152 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.459 -2.150 8.820 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.187 -4.389 8.443 1.00 0.00 C ATOM 578 CZ PHE A 35 4.647 -3.435 9.274 1.00 0.00 C ATOM 0 H PHE A 35 3.946 -4.094 4.564 1.00 0.00 H new ATOM 0 HA PHE A 35 3.855 -1.261 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.191 -3.244 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.354 -1.565 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.655 -0.823 7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.945 -4.810 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.044 -1.397 9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.345 -5.395 8.804 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.370 -3.695 10.285 1.00 0.00 H new ATOM 588 N VAL A 36 4.683 -0.240 2.949 1.00 0.00 N ATOM 589 CA VAL A 36 4.852 0.415 1.690 1.00 0.00 C ATOM 590 C VAL A 36 5.843 1.513 1.871 1.00 0.00 C ATOM 591 O VAL A 36 5.804 2.259 2.847 1.00 0.00 O ATOM 592 CB VAL A 36 3.563 1.024 1.223 1.00 0.00 C ATOM 593 CG1 VAL A 36 3.701 1.816 -0.089 1.00 0.00 C ATOM 594 CG2 VAL A 36 2.505 -0.071 1.002 1.00 0.00 C ATOM 0 H VAL A 36 4.484 0.408 3.711 1.00 0.00 H new ATOM 0 HA VAL A 36 5.185 -0.315 0.953 1.00 0.00 H new ATOM 0 HB VAL A 36 3.263 1.716 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.732 2.229 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.415 2.628 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.054 1.153 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.575 0.385 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.860 -0.773 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.329 -0.601 1.938 1.00 0.00 H new ATOM 604 N HIS A 37 6.797 1.644 0.932 1.00 0.00 N ATOM 605 CA HIS A 37 7.688 2.758 0.838 1.00 0.00 C ATOM 606 C HIS A 37 7.587 3.349 -0.527 1.00 0.00 C ATOM 607 O HIS A 37 6.910 2.824 -1.409 1.00 0.00 O ATOM 608 CB HIS A 37 9.160 2.409 1.118 1.00 0.00 C ATOM 609 CG HIS A 37 9.385 1.113 1.840 1.00 0.00 C ATOM 610 ND1 HIS A 37 10.332 0.200 1.421 1.00 0.00 N ATOM 611 CD2 HIS A 37 8.804 0.556 2.936 1.00 0.00 C ATOM 612 CE1 HIS A 37 10.265 -0.870 2.257 1.00 0.00 C ATOM 613 NE2 HIS A 37 9.346 -0.688 3.187 1.00 0.00 N ATOM 0 H HIS A 37 6.954 0.943 0.207 1.00 0.00 H new ATOM 0 HA HIS A 37 7.381 3.463 1.610 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.695 2.375 0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.602 3.214 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.028 1.021 3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 37 10.882 -1.752 2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.090 -1.332 3.935 1.00 0.00 H new ATOM 621 N GLN A 38 8.306 4.453 -0.795 1.00 0.00 N ATOM 622 CA GLN A 38 8.261 5.165 -2.034 1.00 0.00 C ATOM 623 C GLN A 38 8.683 4.424 -3.255 1.00 0.00 C ATOM 624 O GLN A 38 8.273 4.773 -4.361 1.00 0.00 O ATOM 625 CB GLN A 38 8.997 6.511 -1.922 1.00 0.00 C ATOM 626 CG GLN A 38 10.521 6.445 -1.804 1.00 0.00 C ATOM 627 CD GLN A 38 11.109 7.807 -1.462 1.00 0.00 C ATOM 628 OE1 GLN A 38 10.872 8.819 -2.120 1.00 0.00 O ATOM 629 NE2 GLN A 38 11.945 7.853 -0.391 1.00 0.00 N ATOM 0 H GLN A 38 8.947 4.868 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 38 7.195 5.327 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.748 7.111 -2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.610 7.041 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.797 5.724 -1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.945 6.089 -2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.133 7.006 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.384 8.734 -0.124 1.00 0.00 H new ATOM 638 N THR A 39 9.473 3.342 -3.131 1.00 0.00 N ATOM 639 CA THR A 39 9.847 2.461 -4.193 1.00 0.00 C ATOM 640 C THR A 39 8.735 1.592 -4.671 1.00 0.00 C ATOM 641 O THR A 39 8.692 1.159 -5.822 1.00 0.00 O ATOM 642 CB THR A 39 11.037 1.622 -3.832 1.00 0.00 C ATOM 643 OG1 THR A 39 11.565 0.888 -4.927 1.00 0.00 O ATOM 644 CG2 THR A 39 10.741 0.617 -2.707 1.00 0.00 C ATOM 0 H THR A 39 9.874 3.067 -2.235 1.00 0.00 H new ATOM 0 HA THR A 39 10.115 3.118 -5.020 1.00 0.00 H new ATOM 0 HB THR A 39 11.772 2.354 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.337 0.364 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.639 0.039 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.430 1.155 -1.811 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.943 -0.056 -3.021 1.00 0.00 H new ATOM 652 N ALA A 40 7.732 1.292 -3.827 1.00 0.00 N ATOM 653 CA ALA A 40 6.639 0.435 -4.168 1.00 0.00 C ATOM 654 C ALA A 40 5.521 1.156 -4.840 1.00 0.00 C ATOM 655 O ALA A 40 4.693 0.563 -5.530 1.00 0.00 O ATOM 656 CB ALA A 40 6.127 -0.224 -2.876 1.00 0.00 C ATOM 0 H ALA A 40 7.680 1.658 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 40 7.000 -0.307 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.292 -0.884 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.930 -0.803 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.796 0.547 -2.181 1.00 0.00 H new ATOM 662 N ILE A 41 5.438 2.484 -4.643 1.00 0.00 N ATOM 663 CA ILE A 41 4.431 3.343 -5.184 1.00 0.00 C ATOM 664 C ILE A 41 4.774 3.701 -6.590 1.00 0.00 C ATOM 665 O ILE A 41 5.667 4.507 -6.848 1.00 0.00 O ATOM 666 CB ILE A 41 4.231 4.575 -4.352 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.828 4.186 -2.920 1.00 0.00 C ATOM 668 CG2 ILE A 41 3.170 5.489 -4.988 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.813 5.365 -1.948 1.00 0.00 C ATOM 0 H ILE A 41 6.116 2.988 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 41 3.486 2.800 -5.172 1.00 0.00 H new ATOM 0 HB ILE A 41 5.171 5.126 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.838 3.730 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.519 3.429 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.038 6.378 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.495 5.785 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.224 4.953 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.520 5.016 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.808 5.807 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.100 6.113 -2.295 1.00 0.00 H new ATOM 681 N LYS A 42 4.071 3.078 -7.553 1.00 0.00 N ATOM 682 CA LYS A 42 4.318 3.177 -8.959 1.00 0.00 C ATOM 683 C LYS A 42 5.622 2.604 -9.394 1.00 0.00 C ATOM 684 O LYS A 42 6.332 1.940 -8.639 1.00 0.00 O ATOM 685 CB LYS A 42 4.027 4.583 -9.510 1.00 0.00 C ATOM 686 CG LYS A 42 2.638 5.097 -9.127 1.00 0.00 C ATOM 687 CD LYS A 42 2.244 6.353 -9.906 1.00 0.00 C ATOM 688 CE LYS A 42 1.015 7.084 -9.360 1.00 0.00 C ATOM 689 NZ LYS A 42 -0.148 6.171 -9.279 1.00 0.00 N ATOM 0 H LYS A 42 3.282 2.468 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 42 3.587 2.522 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.781 5.277 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.116 4.568 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.901 4.314 -9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.616 5.314 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.088 7.042 -9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.055 6.076 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.236 7.487 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.774 7.930 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.994 6.710 -9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.307 5.728 -10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.038 5.433 -8.570 1.00 0.00 H new ATOM 904 N GLY A 54 -8.438 10.009 0.477 1.00 0.00 N ATOM 905 CA GLY A 54 -9.609 9.739 1.251 1.00 0.00 C ATOM 906 C GLY A 54 -9.516 8.489 2.056 1.00 0.00 C ATOM 907 O GLY A 54 -9.009 7.460 1.613 1.00 0.00 O ATOM 0 HA2 GLY A 54 -9.794 10.579 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.468 9.668 0.583 1.00 0.00 H new ATOM 911 N ASP A 55 -10.027 8.506 3.301 1.00 0.00 N ATOM 912 CA ASP A 55 -9.948 7.383 4.182 1.00 0.00 C ATOM 913 C ASP A 55 -10.837 6.247 3.812 1.00 0.00 C ATOM 914 O ASP A 55 -11.976 6.410 3.374 1.00 0.00 O ATOM 915 CB ASP A 55 -10.106 7.795 5.656 1.00 0.00 C ATOM 916 CG ASP A 55 -11.524 8.169 6.060 1.00 0.00 C ATOM 917 OD1 ASP A 55 -12.013 9.273 5.699 1.00 0.00 O ATOM 918 OD2 ASP A 55 -12.181 7.352 6.759 1.00 0.00 O ATOM 0 H ASP A 55 -10.503 9.314 3.702 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.937 6.994 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.767 6.974 6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.450 8.642 5.855 1.00 0.00 H new ATOM 923 N GLY A 56 -10.347 5.002 3.950 1.00 0.00 N ATOM 924 CA GLY A 56 -11.116 3.818 3.728 1.00 0.00 C ATOM 925 C GLY A 56 -11.180 3.413 2.295 1.00 0.00 C ATOM 926 O GLY A 56 -11.907 2.489 1.936 1.00 0.00 O ATOM 0 H GLY A 56 -9.383 4.814 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.688 3.002 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.129 3.977 4.098 1.00 0.00 H new ATOM 930 N GLU A 57 -10.352 4.027 1.431 1.00 0.00 N ATOM 931 CA GLU A 57 -10.264 3.700 0.042 1.00 0.00 C ATOM 932 C GLU A 57 -9.443 2.488 -0.235 1.00 0.00 C ATOM 933 O GLU A 57 -8.574 2.072 0.530 1.00 0.00 O ATOM 934 CB GLU A 57 -9.780 4.899 -0.792 1.00 0.00 C ATOM 935 CG GLU A 57 -10.864 5.970 -0.923 1.00 0.00 C ATOM 936 CD GLU A 57 -10.469 7.187 -1.748 1.00 0.00 C ATOM 937 OE1 GLU A 57 -9.464 7.148 -2.507 1.00 0.00 O ATOM 938 OE2 GLU A 57 -11.220 8.198 -1.698 1.00 0.00 O ATOM 0 H GLU A 57 -9.721 4.778 1.710 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.280 3.454 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.894 5.332 -0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.484 4.557 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.749 5.517 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.147 6.303 0.075 1.00 0.00 H new ATOM 945 N THR A 58 -9.756 1.818 -1.359 1.00 0.00 N ATOM 946 CA THR A 58 -9.144 0.603 -1.797 1.00 0.00 C ATOM 947 C THR A 58 -8.062 0.780 -2.807 1.00 0.00 C ATOM 948 O THR A 58 -8.123 1.637 -3.688 1.00 0.00 O ATOM 949 CB THR A 58 -10.157 -0.365 -2.333 1.00 0.00 C ATOM 950 OG1 THR A 58 -11.229 0.293 -2.993 1.00 0.00 O ATOM 951 CG2 THR A 58 -10.755 -1.137 -1.145 1.00 0.00 C ATOM 0 H THR A 58 -10.480 2.145 -1.999 1.00 0.00 H new ATOM 0 HA THR A 58 -8.677 0.203 -0.897 1.00 0.00 H new ATOM 0 HB THR A 58 -9.654 -1.017 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.865 -0.373 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.496 -1.849 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.962 -1.673 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.231 -0.437 -0.459 1.00 0.00 H new ATOM 959 N VAL A 59 -7.009 -0.049 -2.690 1.00 0.00 N ATOM 960 CA VAL A 59 -5.817 0.033 -3.477 1.00 0.00 C ATOM 961 C VAL A 59 -5.269 -1.335 -3.698 1.00 0.00 C ATOM 962 O VAL A 59 -5.549 -2.250 -2.925 1.00 0.00 O ATOM 963 CB VAL A 59 -4.831 0.960 -2.829 1.00 0.00 C ATOM 964 CG1 VAL A 59 -4.355 0.445 -1.460 1.00 0.00 C ATOM 965 CG2 VAL A 59 -3.646 1.297 -3.750 1.00 0.00 C ATOM 0 H VAL A 59 -6.988 -0.813 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.042 0.453 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.368 1.892 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.643 1.151 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.210 0.343 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.874 -0.525 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.963 1.971 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.120 0.380 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.015 1.779 -4.655 1.00 0.00 H new ATOM 975 N GLU A 60 -4.508 -1.570 -4.782 1.00 0.00 N ATOM 976 CA GLU A 60 -3.895 -2.826 -5.084 1.00 0.00 C ATOM 977 C GLU A 60 -2.429 -2.840 -4.814 1.00 0.00 C ATOM 978 O GLU A 60 -1.729 -1.846 -4.993 1.00 0.00 O ATOM 979 CB GLU A 60 -4.104 -3.334 -6.520 1.00 0.00 C ATOM 980 CG GLU A 60 -3.771 -2.350 -7.643 1.00 0.00 C ATOM 981 CD GLU A 60 -4.055 -2.896 -9.036 1.00 0.00 C ATOM 982 OE1 GLU A 60 -5.215 -3.293 -9.323 1.00 0.00 O ATOM 983 OE2 GLU A 60 -3.154 -2.830 -9.915 1.00 0.00 O ATOM 0 H GLU A 60 -4.311 -0.852 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.419 -3.500 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.497 -4.229 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.146 -3.636 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.346 -1.436 -7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.718 -2.078 -7.576 1.00 0.00 H new ATOM 990 N PHE A 61 -1.932 -4.009 -4.371 1.00 0.00 N ATOM 991 CA PHE A 61 -0.566 -4.239 -4.019 1.00 0.00 C ATOM 992 C PHE A 61 -0.245 -5.691 -4.126 1.00 0.00 C ATOM 993 O PHE A 61 -1.113 -6.541 -4.310 1.00 0.00 O ATOM 994 CB PHE A 61 -0.243 -3.749 -2.597 1.00 0.00 C ATOM 995 CG PHE A 61 -1.284 -4.132 -1.601 1.00 0.00 C ATOM 996 CD1 PHE A 61 -1.297 -5.373 -1.009 1.00 0.00 C ATOM 997 CD2 PHE A 61 -2.287 -3.238 -1.309 1.00 0.00 C ATOM 998 CE1 PHE A 61 -2.308 -5.722 -0.144 1.00 0.00 C ATOM 999 CE2 PHE A 61 -3.312 -3.584 -0.461 1.00 0.00 C ATOM 1000 CZ PHE A 61 -3.315 -4.826 0.128 1.00 0.00 C ATOM 0 H PHE A 61 -2.515 -4.837 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 61 0.046 -3.669 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.718 -4.159 -2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.139 -2.664 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.508 -6.078 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.269 -2.253 -1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.311 -6.697 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.110 -2.885 -0.259 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.110 -5.099 0.806 1.00 0.00 H new ATOM 1010 N ASP A 62 1.037 -6.071 -3.984 1.00 0.00 N ATOM 1011 CA ASP A 62 1.426 -7.429 -3.758 1.00 0.00 C ATOM 1012 C ASP A 62 1.572 -7.630 -2.290 1.00 0.00 C ATOM 1013 O ASP A 62 1.825 -6.675 -1.558 1.00 0.00 O ATOM 1014 CB ASP A 62 2.731 -7.713 -4.520 1.00 0.00 C ATOM 1015 CG ASP A 62 2.638 -7.499 -6.026 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.528 -7.382 -6.608 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.717 -7.484 -6.674 1.00 0.00 O ATOM 0 H ASP A 62 1.821 -5.420 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 62 0.676 -8.129 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.517 -7.072 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.032 -8.743 -4.329 1.00 0.00 H new ATOM 1022 N VAL A 63 1.417 -8.850 -1.745 1.00 0.00 N ATOM 1023 CA VAL A 63 1.657 -9.139 -0.365 1.00 0.00 C ATOM 1024 C VAL A 63 2.868 -10.001 -0.279 1.00 0.00 C ATOM 1025 O VAL A 63 2.784 -11.216 -0.451 1.00 0.00 O ATOM 1026 CB VAL A 63 0.523 -9.863 0.301 1.00 0.00 C ATOM 1027 CG1 VAL A 63 0.801 -10.161 1.783 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.774 -9.040 0.237 1.00 0.00 C ATOM 0 H VAL A 63 1.115 -9.662 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 63 1.779 -8.186 0.149 1.00 0.00 H new ATOM 0 HB VAL A 63 0.418 -10.801 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.051 -10.685 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.691 -10.784 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.961 -9.225 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.578 -9.589 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.625 -8.086 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.040 -8.860 -0.805 1.00 0.00 H new ATOM 1038 N VAL A 64 4.060 -9.436 -0.017 1.00 0.00 N ATOM 1039 CA VAL A 64 5.269 -10.183 -0.180 1.00 0.00 C ATOM 1040 C VAL A 64 6.061 -10.132 1.082 1.00 0.00 C ATOM 1041 O VAL A 64 6.524 -9.083 1.523 1.00 0.00 O ATOM 1042 CB VAL A 64 5.987 -9.747 -1.422 1.00 0.00 C ATOM 1043 CG1 VAL A 64 5.430 -10.510 -2.636 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.788 -8.248 -1.702 1.00 0.00 C ATOM 0 H VAL A 64 4.187 -8.476 0.303 1.00 0.00 H new ATOM 0 HA VAL A 64 5.063 -11.241 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 64 7.046 -9.952 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.953 -10.191 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.576 -11.580 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.366 -10.300 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.324 -7.973 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.726 -8.040 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.173 -7.667 -0.864 1.00 0.00 H new ATOM 1054 N GLU A 65 6.196 -11.270 1.787 1.00 0.00 N ATOM 1055 CA GLU A 65 6.881 -11.373 3.038 1.00 0.00 C ATOM 1056 C GLU A 65 8.299 -11.812 2.907 1.00 0.00 C ATOM 1057 O GLU A 65 8.603 -12.880 2.378 1.00 0.00 O ATOM 1058 CB GLU A 65 6.187 -12.347 4.007 1.00 0.00 C ATOM 1059 CG GLU A 65 6.674 -12.247 5.454 1.00 0.00 C ATOM 1060 CD GLU A 65 6.165 -13.364 6.356 1.00 0.00 C ATOM 1061 OE1 GLU A 65 4.924 -13.515 6.505 1.00 0.00 O ATOM 1062 OE2 GLU A 65 7.007 -14.089 6.949 1.00 0.00 O ATOM 0 H GLU A 65 5.810 -12.159 1.470 1.00 0.00 H new ATOM 0 HA GLU A 65 6.855 -10.358 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.113 -12.162 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.342 -13.366 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.764 -12.256 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.360 -11.288 5.867 1.00 0.00 H new ATOM 1069 N GLY A 66 9.229 -10.998 3.438 1.00 0.00 N ATOM 1070 CA GLY A 66 10.614 -11.319 3.590 1.00 0.00 C ATOM 1071 C GLY A 66 11.085 -11.193 4.998 1.00 0.00 C ATOM 1072 O GLY A 66 11.799 -12.042 5.531 1.00 0.00 O ATOM 0 H GLY A 66 9.001 -10.064 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.786 -12.338 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.207 -10.662 2.953 1.00 0.00 H new ATOM 1076 N GLU A 67 10.711 -10.086 5.664 1.00 0.00 N ATOM 1077 CA GLU A 67 11.124 -9.748 6.991 1.00 0.00 C ATOM 1078 C GLU A 67 10.120 -10.187 8.001 1.00 0.00 C ATOM 1079 O GLU A 67 9.592 -11.297 7.941 1.00 0.00 O ATOM 1080 CB GLU A 67 11.396 -8.238 7.088 1.00 0.00 C ATOM 1081 CG GLU A 67 12.423 -7.737 6.068 1.00 0.00 C ATOM 1082 CD GLU A 67 12.670 -6.239 6.167 1.00 0.00 C ATOM 1083 OE1 GLU A 67 12.537 -5.624 7.259 1.00 0.00 O ATOM 1084 OE2 GLU A 67 13.028 -5.642 5.117 1.00 0.00 O ATOM 0 H GLU A 67 10.088 -9.390 5.255 1.00 0.00 H new ATOM 0 HA GLU A 67 12.050 -10.280 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.460 -7.698 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.749 -8.004 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.364 -8.266 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.077 -7.978 5.063 1.00 0.00 H new ATOM 1091 N LYS A 68 9.796 -9.350 9.003 1.00 0.00 N ATOM 1092 CA LYS A 68 8.933 -9.695 10.089 1.00 0.00 C ATOM 1093 C LYS A 68 7.488 -9.648 9.728 1.00 0.00 C ATOM 1094 O LYS A 68 6.667 -10.435 10.195 1.00 0.00 O ATOM 1095 CB LYS A 68 9.232 -8.766 11.278 1.00 0.00 C ATOM 1096 CG LYS A 68 10.664 -8.939 11.786 1.00 0.00 C ATOM 1097 CD LYS A 68 11.031 -8.099 13.011 1.00 0.00 C ATOM 1098 CE LYS A 68 11.092 -6.583 12.813 1.00 0.00 C ATOM 1099 NZ LYS A 68 12.061 -6.205 11.759 1.00 0.00 N ATOM 0 H LYS A 68 10.150 -8.395 9.058 1.00 0.00 H new ATOM 0 HA LYS A 68 9.136 -10.731 10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.075 -7.730 10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.532 -8.974 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.822 -9.990 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.351 -8.691 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.307 -8.310 13.798 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.003 -8.434 13.374 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.102 -6.211 12.547 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.371 -6.105 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.137 -5.169 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.992 -6.610 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.735 -6.570 10.841 1.00 0.00 H new ATOM 1113 N GLY A 69 7.122 -8.735 8.811 1.00 0.00 N ATOM 1114 CA GLY A 69 5.799 -8.577 8.292 1.00 0.00 C ATOM 1115 C GLY A 69 5.960 -8.279 6.841 1.00 0.00 C ATOM 1116 O GLY A 69 7.067 -7.995 6.387 1.00 0.00 O ATOM 0 H GLY A 69 7.785 -8.072 8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.211 -9.482 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.274 -7.768 8.801 1.00 0.00 H new ATOM 1120 N ALA A 70 4.881 -8.367 6.043 1.00 0.00 N ATOM 1121 CA ALA A 70 5.006 -8.333 4.619 1.00 0.00 C ATOM 1122 C ALA A 70 4.965 -6.967 4.023 1.00 0.00 C ATOM 1123 O ALA A 70 4.380 -6.021 4.547 1.00 0.00 O ATOM 1124 CB ALA A 70 3.955 -9.264 3.992 1.00 0.00 C ATOM 0 H ALA A 70 3.924 -8.462 6.383 1.00 0.00 H new ATOM 0 HA ALA A 70 6.007 -8.693 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.049 -9.239 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.113 -10.282 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.957 -8.931 4.278 1.00 0.00 H new ATOM 1130 N GLU A 71 5.623 -6.802 2.861 1.00 0.00 N ATOM 1131 CA GLU A 71 5.707 -5.560 2.158 1.00 0.00 C ATOM 1132 C GLU A 71 4.847 -5.605 0.942 1.00 0.00 C ATOM 1133 O GLU A 71 4.037 -6.516 0.779 1.00 0.00 O ATOM 1134 CB GLU A 71 7.161 -5.192 1.812 1.00 0.00 C ATOM 1135 CG GLU A 71 7.976 -6.148 0.939 1.00 0.00 C ATOM 1136 CD GLU A 71 9.388 -5.640 0.686 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.570 -4.699 -0.132 1.00 0.00 O ATOM 1138 OE2 GLU A 71 10.357 -6.192 1.271 1.00 0.00 O ATOM 0 H GLU A 71 6.115 -7.563 2.394 1.00 0.00 H new ATOM 0 HA GLU A 71 5.338 -4.772 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.146 -4.222 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.700 -5.061 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.025 -7.124 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.467 -6.289 -0.014 1.00 0.00 H new ATOM 1145 N ALA A 72 5.017 -4.634 0.027 1.00 0.00 N ATOM 1146 CA ALA A 72 4.150 -4.507 -1.103 1.00 0.00 C ATOM 1147 C ALA A 72 4.956 -3.980 -2.240 1.00 0.00 C ATOM 1148 O ALA A 72 6.023 -3.393 -2.064 1.00 0.00 O ATOM 1149 CB ALA A 72 3.004 -3.534 -0.783 1.00 0.00 C ATOM 0 H ALA A 72 5.758 -3.934 0.070 1.00 0.00 H new ATOM 0 HA ALA A 72 3.717 -5.475 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.350 -3.445 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.433 -3.911 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.416 -2.555 -0.537 1.00 0.00 H new ATOM 1155 N ALA A 73 4.481 -4.253 -3.468 1.00 0.00 N ATOM 1156 CA ALA A 73 5.112 -3.816 -4.674 1.00 0.00 C ATOM 1157 C ALA A 73 4.013 -3.511 -5.634 1.00 0.00 C ATOM 1158 O ALA A 73 2.877 -3.940 -5.431 1.00 0.00 O ATOM 1159 CB ALA A 73 6.029 -4.907 -5.252 1.00 0.00 C ATOM 0 H ALA A 73 3.631 -4.795 -3.627 1.00 0.00 H new ATOM 0 HA ALA A 73 5.738 -2.944 -4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.494 -4.544 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.803 -5.154 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.441 -5.798 -5.472 1.00 0.00 H new ATOM 1165 N ASN A 74 4.320 -2.749 -6.699 1.00 0.00 N ATOM 1166 CA ASN A 74 3.445 -2.451 -7.790 1.00 0.00 C ATOM 1167 C ASN A 74 2.157 -1.817 -7.391 1.00 0.00 C ATOM 1168 O ASN A 74 1.083 -2.124 -7.905 1.00 0.00 O ATOM 1169 CB ASN A 74 3.237 -3.676 -8.697 1.00 0.00 C ATOM 1170 CG ASN A 74 4.572 -4.319 -9.046 1.00 0.00 C ATOM 1171 OD1 ASN A 74 5.455 -3.709 -9.648 1.00 0.00 O ATOM 1172 ND2 ASN A 74 4.779 -5.592 -8.617 1.00 0.00 N ATOM 0 H ASN A 74 5.237 -2.314 -6.804 1.00 0.00 H new ATOM 0 HA ASN A 74 3.957 -1.686 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.598 -4.402 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.722 -3.376 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.673 -6.051 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.040 -6.089 -8.119 1.00 0.00 H new ATOM 1179 N VAL A 75 2.215 -0.889 -6.418 1.00 0.00 N ATOM 1180 CA VAL A 75 1.095 -0.273 -5.778 1.00 0.00 C ATOM 1181 C VAL A 75 0.482 0.754 -6.667 1.00 0.00 C ATOM 1182 O VAL A 75 1.079 1.785 -6.972 1.00 0.00 O ATOM 1183 CB VAL A 75 1.450 0.288 -4.432 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.183 0.728 -3.680 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.185 -0.786 -3.614 1.00 0.00 C ATOM 0 H VAL A 75 3.105 -0.547 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 75 0.349 -1.047 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 75 2.094 1.157 -4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.460 1.132 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.335 1.494 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.475 -0.130 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.445 -0.383 -2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.538 -1.654 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.094 -1.083 -4.137 1.00 0.00 H new ATOM 1195 N THR A 76 -0.726 0.462 -7.182 1.00 0.00 N ATOM 1196 CA THR A 76 -1.288 1.125 -8.317 1.00 0.00 C ATOM 1197 C THR A 76 -2.638 1.660 -7.983 1.00 0.00 C ATOM 1198 O THR A 76 -2.784 2.459 -7.059 1.00 0.00 O ATOM 1199 CB THR A 76 -1.274 0.278 -9.555 1.00 0.00 C ATOM 1200 OG1 THR A 76 -0.020 -0.372 -9.708 1.00 0.00 O ATOM 1201 CG2 THR A 76 -1.406 1.135 -10.825 1.00 0.00 C ATOM 0 H THR A 76 -1.332 -0.261 -6.794 1.00 0.00 H new ATOM 0 HA THR A 76 -0.649 1.974 -8.562 1.00 0.00 H new ATOM 0 HB THR A 76 -2.103 -0.421 -9.441 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.099 -1.026 -8.988 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.392 0.489 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.345 1.687 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.574 1.837 -10.878 1.00 0.00 H new ATOM 1209 N GLY A 77 -3.711 1.274 -8.696 1.00 0.00 N ATOM 1210 CA GLY A 77 -5.046 1.743 -8.495 1.00 0.00 C ATOM 1211 C GLY A 77 -5.583 2.414 -9.712 1.00 0.00 C ATOM 1212 O GLY A 77 -4.809 2.777 -10.597 1.00 0.00 O ATOM 0 H GLY A 77 -3.642 0.596 -9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.690 0.905 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.065 2.440 -7.657 1.00 0.00 H new