USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= 0.624 K(o=1.5,f=-6.4!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -157:sc= 0.876 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0.118 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.772 K(o=0.89,f=-3.3!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -114:sc= 1.9 (180deg=0.778) USER MOD Set 3.2: A 58 GLN : amide:sc= 1.48 K(o=3.4,f=-2.9) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 83:sc= 0.168 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -178:sc= -0.209 (180deg=-0.224) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0566) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.385 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 45 TYR OH : rot -162:sc= 0.896 USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.111) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 51 SER OG : rot 127:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 70:sc= 0.788 USER MOD Single : A 60 ASN : amide:sc= 0.422 K(o=0.42,f=-0.73) USER MOD Single : A 67 ASN : amide:sc= 0.891 K(o=0.89,f=-0.02) USER MOD Single : A 68 TYR OH : rot 120:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.835 -2.329 -3.491 1.00 0.00 N ATOM 69 CA ILE A 4 5.707 -1.447 -3.862 1.00 0.00 C ATOM 70 C ILE A 4 5.615 -0.184 -2.991 1.00 0.00 C ATOM 71 O ILE A 4 5.321 0.901 -3.492 1.00 0.00 O ATOM 72 CB ILE A 4 4.391 -2.257 -3.908 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.208 -1.478 -4.521 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.970 -2.768 -2.520 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.433 -1.006 -5.961 1.00 0.00 C ATOM 0 HA ILE A 4 5.896 -1.067 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 4 4.620 -3.102 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.321 -2.111 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.999 -0.610 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.040 -3.331 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.750 -3.415 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.821 -1.921 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.551 -0.468 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.299 -0.344 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.610 -1.869 -6.603 1.00 0.00 H new ATOM 87 N LYS A 5 5.965 -0.293 -1.707 1.00 0.00 N ATOM 88 CA LYS A 5 6.071 0.840 -0.778 1.00 0.00 C ATOM 89 C LYS A 5 7.212 1.779 -1.211 1.00 0.00 C ATOM 90 O LYS A 5 7.029 2.994 -1.309 1.00 0.00 O ATOM 91 CB LYS A 5 6.250 0.250 0.634 1.00 0.00 C ATOM 92 CG LYS A 5 5.885 1.182 1.799 1.00 0.00 C ATOM 93 CD LYS A 5 6.813 2.400 1.946 1.00 0.00 C ATOM 94 CE LYS A 5 6.810 2.924 3.388 1.00 0.00 C ATOM 95 NZ LYS A 5 5.551 3.610 3.766 1.00 0.00 N ATOM 0 H LYS A 5 6.188 -1.189 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 5 5.175 1.461 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.642 -0.651 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.290 -0.056 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.862 1.533 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.904 0.610 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.828 2.125 1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.492 3.190 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.979 2.090 4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.643 3.615 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.743 4.618 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.859 3.515 2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.167 3.179 4.631 1.00 0.00 H new ATOM 109 N ASN A 6 8.366 1.204 -1.568 1.00 0.00 N ATOM 110 CA ASN A 6 9.495 1.939 -2.143 1.00 0.00 C ATOM 111 C ASN A 6 9.182 2.511 -3.542 1.00 0.00 C ATOM 112 O ASN A 6 9.669 3.588 -3.880 1.00 0.00 O ATOM 113 CB ASN A 6 10.713 1.006 -2.195 1.00 0.00 C ATOM 114 CG ASN A 6 11.977 1.738 -2.642 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.405 2.710 -2.031 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.608 1.299 -3.717 1.00 0.00 N ATOM 0 H ASN A 6 8.543 0.205 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 6 9.705 2.798 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.877 0.569 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.510 0.183 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.453 1.770 -4.040 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.250 0.490 -4.224 1.00 0.00 H new ATOM 123 N PHE A 7 8.343 1.837 -4.339 1.00 0.00 N ATOM 124 CA PHE A 7 7.983 2.270 -5.692 1.00 0.00 C ATOM 125 C PHE A 7 7.117 3.532 -5.671 1.00 0.00 C ATOM 126 O PHE A 7 7.391 4.453 -6.436 1.00 0.00 O ATOM 127 CB PHE A 7 7.283 1.129 -6.444 1.00 0.00 C ATOM 128 CG PHE A 7 6.841 1.496 -7.845 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.739 1.381 -8.923 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.539 1.982 -8.068 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.334 1.751 -10.217 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.138 2.357 -9.361 1.00 0.00 C ATOM 133 CZ PHE A 7 6.032 2.234 -10.439 1.00 0.00 C ATOM 0 H PHE A 7 7.891 0.967 -4.058 1.00 0.00 H new ATOM 0 HA PHE A 7 8.902 2.523 -6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.959 0.275 -6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.412 0.810 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.739 1.009 -8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.847 2.067 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.024 1.664 -11.043 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.142 2.740 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.720 2.510 -11.435 1.00 0.00 H new ATOM 143 N LEU A 8 6.128 3.617 -4.771 1.00 0.00 N ATOM 144 CA LEU A 8 5.338 4.842 -4.592 1.00 0.00 C ATOM 145 C LEU A 8 6.219 6.008 -4.126 1.00 0.00 C ATOM 146 O LEU A 8 6.123 7.113 -4.657 1.00 0.00 O ATOM 147 CB LEU A 8 4.181 4.568 -3.612 1.00 0.00 C ATOM 148 CG LEU A 8 3.233 5.769 -3.393 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.700 6.381 -4.699 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.041 5.330 -2.531 1.00 0.00 C ATOM 0 H LEU A 8 5.856 2.851 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 8 4.914 5.137 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.599 3.724 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.598 4.270 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 8 3.823 6.539 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.042 7.218 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.536 6.733 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.144 5.626 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.372 6.177 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.502 4.529 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.402 4.972 -1.567 1.00 0.00 H new ATOM 162 N TYR A 9 7.124 5.751 -3.177 1.00 0.00 N ATOM 163 CA TYR A 9 8.057 6.758 -2.671 1.00 0.00 C ATOM 164 C TYR A 9 9.029 7.265 -3.757 1.00 0.00 C ATOM 165 O TYR A 9 9.239 8.473 -3.888 1.00 0.00 O ATOM 166 CB TYR A 9 8.801 6.174 -1.462 1.00 0.00 C ATOM 167 CG TYR A 9 9.644 7.190 -0.716 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.062 7.977 0.296 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.003 7.361 -1.044 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.831 8.938 0.979 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.779 8.323 -0.367 1.00 0.00 C ATOM 172 CZ TYR A 9 11.193 9.116 0.646 1.00 0.00 C ATOM 173 OH TYR A 9 11.935 10.050 1.306 1.00 0.00 O ATOM 0 H TYR A 9 7.229 4.836 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 9 7.491 7.636 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.075 5.742 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.443 5.360 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.021 7.843 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.451 6.753 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.381 9.538 1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.820 8.454 -0.622 1.00 0.00 H new ATOM 0 HH TYR A 9 12.851 10.045 0.958 1.00 0.00 H new ATOM 183 N ALA A 10 9.571 6.360 -4.579 1.00 0.00 N ATOM 184 CA ALA A 10 10.447 6.688 -5.706 1.00 0.00 C ATOM 185 C ALA A 10 9.707 7.432 -6.833 1.00 0.00 C ATOM 186 O ALA A 10 10.233 8.405 -7.367 1.00 0.00 O ATOM 187 CB ALA A 10 11.092 5.392 -6.214 1.00 0.00 C ATOM 0 H ALA A 10 9.409 5.358 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 10 11.220 7.375 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.749 5.617 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.673 4.936 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.314 4.701 -6.537 1.00 0.00 H new ATOM 193 N TRP A 11 8.472 7.033 -7.155 1.00 0.00 N ATOM 194 CA TRP A 11 7.612 7.712 -8.130 1.00 0.00 C ATOM 195 C TRP A 11 7.324 9.161 -7.716 1.00 0.00 C ATOM 196 O TRP A 11 7.478 10.082 -8.519 1.00 0.00 O ATOM 197 CB TRP A 11 6.312 6.914 -8.280 1.00 0.00 C ATOM 198 CG TRP A 11 5.295 7.539 -9.183 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.181 7.343 -10.516 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.231 8.472 -8.826 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.126 8.090 -11.008 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.522 8.827 -10.010 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.792 9.049 -7.615 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.452 9.733 -9.992 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.710 9.947 -7.585 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.044 10.296 -8.772 1.00 0.00 C ATOM 0 H TRP A 11 8.034 6.213 -6.737 1.00 0.00 H new ATOM 0 HA TRP A 11 8.127 7.757 -9.089 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.553 5.921 -8.659 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.868 6.780 -7.294 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.817 6.701 -11.107 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.832 8.095 -11.985 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.296 8.796 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.946 9.996 -10.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.389 10.371 -6.645 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.221 10.995 -8.746 1.00 0.00 H new ATOM 217 N CYS A 12 6.985 9.373 -6.439 1.00 0.00 N ATOM 218 CA CYS A 12 6.848 10.710 -5.849 1.00 0.00 C ATOM 219 C CYS A 12 8.152 11.522 -5.971 1.00 0.00 C ATOM 220 O CYS A 12 8.115 12.682 -6.388 1.00 0.00 O ATOM 221 CB CYS A 12 6.428 10.569 -4.381 1.00 0.00 C ATOM 222 SG CYS A 12 4.726 9.957 -4.225 1.00 0.00 S ATOM 0 H CYS A 12 6.797 8.616 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 12 6.082 11.258 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.108 9.886 -3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.514 11.535 -3.883 1.00 0.00 H new ATOM 0 HG CYS A 12 4.720 8.661 -4.322 1.00 0.00 H new ATOM 228 N GLY A 13 9.305 10.905 -5.691 1.00 0.00 N ATOM 229 CA GLY A 13 10.627 11.545 -5.755 1.00 0.00 C ATOM 230 C GLY A 13 11.062 11.943 -7.170 1.00 0.00 C ATOM 231 O GLY A 13 11.784 12.926 -7.327 1.00 0.00 O ATOM 0 H GLY A 13 9.348 9.926 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.619 12.435 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.369 10.865 -5.336 1.00 0.00 H new ATOM 235 N LYS A 14 10.568 11.259 -8.209 1.00 0.00 N ATOM 236 CA LYS A 14 10.775 11.631 -9.622 1.00 0.00 C ATOM 237 C LYS A 14 9.857 12.786 -10.079 1.00 0.00 C ATOM 238 O LYS A 14 10.021 13.308 -11.185 1.00 0.00 O ATOM 239 CB LYS A 14 10.598 10.378 -10.507 1.00 0.00 C ATOM 240 CG LYS A 14 11.716 9.325 -10.363 1.00 0.00 C ATOM 241 CD LYS A 14 13.115 9.772 -10.820 1.00 0.00 C ATOM 242 CE LYS A 14 13.148 10.175 -12.302 1.00 0.00 C ATOM 243 NZ LYS A 14 14.524 10.512 -12.751 1.00 0.00 N ATOM 0 H LYS A 14 10.003 10.417 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 14 11.792 12.009 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.644 9.910 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.544 10.691 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.774 9.024 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.433 8.441 -10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.441 10.615 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.825 8.962 -10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.757 9.359 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.494 11.032 -12.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.506 10.779 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.888 11.307 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.143 9.686 -12.623 1.00 0.00 H new ATOM 257 N ARG A 15 8.921 13.201 -9.215 1.00 0.00 N ATOM 258 CA ARG A 15 7.953 14.289 -9.413 1.00 0.00 C ATOM 259 C ARG A 15 8.102 15.421 -8.373 1.00 0.00 C ATOM 260 O ARG A 15 7.250 16.308 -8.307 1.00 0.00 O ATOM 261 CB ARG A 15 6.536 13.688 -9.382 1.00 0.00 C ATOM 262 CG ARG A 15 6.282 12.672 -10.509 1.00 0.00 C ATOM 263 CD ARG A 15 4.818 12.229 -10.515 1.00 0.00 C ATOM 264 NE ARG A 15 4.479 11.517 -11.761 1.00 0.00 N ATOM 265 CZ ARG A 15 3.425 11.747 -12.540 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.565 12.718 -12.335 1.00 0.00 N ATOM 267 NH2 ARG A 15 3.169 10.980 -13.571 1.00 0.00 N ATOM 0 H ARG A 15 8.813 12.759 -8.302 1.00 0.00 H new ATOM 0 HA ARG A 15 8.146 14.753 -10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.376 13.201 -8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.805 14.493 -9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.537 13.117 -11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.929 11.805 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.629 11.580 -9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.172 13.100 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 15 5.115 10.775 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.686 13.347 -11.542 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.776 12.843 -12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.782 10.193 -13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.357 11.170 -14.158 1.00 0.00 H new ATOM 281 N LYS A 16 9.152 15.387 -7.537 1.00 0.00 N ATOM 282 CA LYS A 16 9.437 16.348 -6.447 1.00 0.00 C ATOM 283 C LYS A 16 8.359 16.356 -5.331 1.00 0.00 C ATOM 284 O LYS A 16 8.143 17.369 -4.659 1.00 0.00 O ATOM 285 CB LYS A 16 9.752 17.752 -7.017 1.00 0.00 C ATOM 286 CG LYS A 16 10.926 17.747 -8.012 1.00 0.00 C ATOM 287 CD LYS A 16 11.258 19.173 -8.474 1.00 0.00 C ATOM 288 CE LYS A 16 12.431 19.146 -9.462 1.00 0.00 C ATOM 289 NZ LYS A 16 12.787 20.511 -9.930 1.00 0.00 N ATOM 0 H LYS A 16 9.861 14.657 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 16 10.337 16.001 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.864 18.144 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.983 18.429 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.803 17.299 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.674 17.130 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.385 19.623 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.511 19.793 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.297 18.687 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.171 18.524 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.584 20.453 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.968 20.939 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.059 21.097 -9.115 1.00 0.00 H new ATOM 303 N MET A 17 7.675 15.223 -5.136 1.00 0.00 N ATOM 304 CA MET A 17 6.636 14.982 -4.122 1.00 0.00 C ATOM 305 C MET A 17 7.124 13.995 -3.044 1.00 0.00 C ATOM 306 O MET A 17 8.181 13.373 -3.182 1.00 0.00 O ATOM 307 CB MET A 17 5.373 14.429 -4.811 1.00 0.00 C ATOM 308 CG MET A 17 4.768 15.408 -5.822 1.00 0.00 C ATOM 309 SD MET A 17 3.112 14.966 -6.418 1.00 0.00 S ATOM 310 CE MET A 17 3.439 13.337 -7.140 1.00 0.00 C ATOM 0 H MET A 17 7.840 14.400 -5.715 1.00 0.00 H new ATOM 0 HA MET A 17 6.406 15.926 -3.629 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.621 13.497 -5.319 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.627 14.190 -4.053 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.722 16.397 -5.365 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.438 15.483 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.523 12.945 -7.583 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.205 13.428 -7.910 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.786 12.657 -6.362 1.00 0.00 H new ATOM 320 N THR A 18 6.302 13.797 -2.005 1.00 0.00 N ATOM 321 CA THR A 18 6.490 12.801 -0.931 1.00 0.00 C ATOM 322 C THR A 18 5.113 12.240 -0.539 1.00 0.00 C ATOM 323 O THR A 18 4.203 13.048 -0.324 1.00 0.00 O ATOM 324 CB THR A 18 7.173 13.442 0.290 1.00 0.00 C ATOM 325 OG1 THR A 18 8.337 14.135 -0.105 1.00 0.00 O ATOM 326 CG2 THR A 18 7.588 12.402 1.332 1.00 0.00 C ATOM 0 H THR A 18 5.452 14.347 -1.881 1.00 0.00 H new ATOM 0 HA THR A 18 7.132 11.996 -1.287 1.00 0.00 H new ATOM 0 HB THR A 18 6.442 14.120 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.760 14.539 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.066 12.902 2.175 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.706 11.865 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.288 11.697 0.884 1.00 0.00 H new ATOM 334 N PRO A 19 4.926 10.907 -0.447 1.00 0.00 N ATOM 335 CA PRO A 19 3.653 10.308 -0.057 1.00 0.00 C ATOM 336 C PRO A 19 3.446 10.417 1.458 1.00 0.00 C ATOM 337 O PRO A 19 4.399 10.333 2.235 1.00 0.00 O ATOM 338 CB PRO A 19 3.735 8.851 -0.518 1.00 0.00 C ATOM 339 CG PRO A 19 5.224 8.536 -0.386 1.00 0.00 C ATOM 340 CD PRO A 19 5.905 9.862 -0.724 1.00 0.00 C ATOM 0 HA PRO A 19 2.801 10.815 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.126 8.195 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.386 8.731 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.475 8.202 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.528 7.744 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.804 10.002 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.214 9.885 -1.769 1.00 0.00 H new ATOM 348 N ALA A 20 2.188 10.583 1.877 1.00 0.00 N ATOM 349 CA ALA A 20 1.794 10.693 3.282 1.00 0.00 C ATOM 350 C ALA A 20 0.928 9.497 3.700 1.00 0.00 C ATOM 351 O ALA A 20 -0.204 9.345 3.238 1.00 0.00 O ATOM 352 CB ALA A 20 1.069 12.027 3.490 1.00 0.00 C ATOM 0 H ALA A 20 1.399 10.646 1.234 1.00 0.00 H new ATOM 0 HA ALA A 20 2.679 10.675 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.770 12.120 4.534 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.736 12.848 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.184 12.063 2.855 1.00 0.00 H new ATOM 358 N TYR A 21 1.470 8.668 4.593 1.00 0.00 N ATOM 359 CA TYR A 21 0.836 7.455 5.127 1.00 0.00 C ATOM 360 C TYR A 21 0.188 7.697 6.509 1.00 0.00 C ATOM 361 O TYR A 21 0.619 8.568 7.270 1.00 0.00 O ATOM 362 CB TYR A 21 1.880 6.326 5.232 1.00 0.00 C ATOM 363 CG TYR A 21 2.401 5.753 3.921 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.439 6.397 3.219 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.895 4.529 3.436 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.961 5.829 2.040 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.416 3.952 2.260 1.00 0.00 C ATOM 368 CZ TYR A 21 3.450 4.604 1.554 1.00 0.00 C ATOM 369 OH TYR A 21 3.983 4.033 0.440 1.00 0.00 O ATOM 0 H TYR A 21 2.400 8.827 4.982 1.00 0.00 H new ATOM 0 HA TYR A 21 0.042 7.168 4.438 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.730 6.701 5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.443 5.511 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.837 7.331 3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.101 4.029 3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.754 6.331 1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.024 3.012 1.900 1.00 0.00 H new ATOM 0 HH TYR A 21 4.844 4.454 0.237 1.00 0.00 H new ATOM 379 N GLU A 22 -0.813 6.887 6.859 1.00 0.00 N ATOM 380 CA GLU A 22 -1.493 6.864 8.161 1.00 0.00 C ATOM 381 C GLU A 22 -1.934 5.429 8.495 1.00 0.00 C ATOM 382 O GLU A 22 -2.245 4.651 7.594 1.00 0.00 O ATOM 383 CB GLU A 22 -2.674 7.851 8.133 1.00 0.00 C ATOM 384 CG GLU A 22 -3.401 7.968 9.481 1.00 0.00 C ATOM 385 CD GLU A 22 -4.356 9.170 9.517 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.125 9.366 8.547 1.00 0.00 O ATOM 387 OE2 GLU A 22 -4.336 9.933 10.511 1.00 0.00 O ATOM 0 H GLU A 22 -1.192 6.195 6.213 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.813 7.182 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.309 8.835 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.386 7.534 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.962 7.053 9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.667 8.064 10.281 1.00 0.00 H new ATOM 394 N ILE A 23 -1.930 5.057 9.780 1.00 0.00 N ATOM 395 CA ILE A 23 -2.115 3.674 10.270 1.00 0.00 C ATOM 396 C ILE A 23 -3.137 3.637 11.422 1.00 0.00 C ATOM 397 O ILE A 23 -3.237 4.583 12.208 1.00 0.00 O ATOM 398 CB ILE A 23 -0.737 3.070 10.668 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.179 2.976 9.422 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.868 1.686 11.342 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.566 2.377 9.675 1.00 0.00 C ATOM 0 H ILE A 23 -1.794 5.727 10.537 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.526 3.054 9.473 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.290 3.740 11.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.325 2.376 8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.303 3.976 9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.123 1.311 11.599 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.467 1.778 12.248 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.352 0.991 10.656 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.129 2.355 8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.098 2.987 10.405 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.460 1.362 10.058 1.00 0.00 H new ATOM 413 N ARG A 24 -3.887 2.531 11.517 1.00 0.00 N ATOM 414 CA ARG A 24 -4.979 2.288 12.472 1.00 0.00 C ATOM 415 C ARG A 24 -4.972 0.821 12.919 1.00 0.00 C ATOM 416 O ARG A 24 -4.742 -0.070 12.106 1.00 0.00 O ATOM 417 CB ARG A 24 -6.296 2.645 11.767 1.00 0.00 C ATOM 418 CG ARG A 24 -7.575 2.429 12.592 1.00 0.00 C ATOM 419 CD ARG A 24 -8.813 3.044 11.917 1.00 0.00 C ATOM 420 NE ARG A 24 -8.981 2.604 10.514 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.760 3.327 9.418 1.00 0.00 C ATOM 422 NH1 ARG A 24 -8.362 4.579 9.442 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.930 2.814 8.223 1.00 0.00 N ATOM 0 H ARG A 24 -3.740 1.736 10.895 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.858 2.900 13.366 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.253 3.692 11.465 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.370 2.053 10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.736 1.361 12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.446 2.869 13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.703 2.775 12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.734 4.131 11.945 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.300 1.646 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.206 5.048 10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.209 5.082 8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.236 1.846 8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.756 3.383 7.394 1.00 0.00 H new ATOM 561 N LYS A 33 -4.561 -6.689 14.330 1.00 0.00 N ATOM 562 CA LYS A 33 -4.346 -6.365 12.917 1.00 0.00 C ATOM 563 C LYS A 33 -4.272 -4.842 12.705 1.00 0.00 C ATOM 564 O LYS A 33 -4.672 -4.059 13.576 1.00 0.00 O ATOM 565 CB LYS A 33 -5.498 -6.987 12.102 1.00 0.00 C ATOM 566 CG LYS A 33 -5.450 -8.523 12.104 1.00 0.00 C ATOM 567 CD LYS A 33 -6.641 -9.134 11.357 1.00 0.00 C ATOM 568 CE LYS A 33 -6.689 -10.661 11.542 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.087 -11.055 12.922 1.00 0.00 N ATOM 0 HA LYS A 33 -3.394 -6.776 12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.451 -6.655 12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.450 -6.625 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.521 -8.858 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.442 -8.884 13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.568 -8.691 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.569 -8.896 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.393 -11.088 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.710 -11.082 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.269 -12.078 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.321 -10.820 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.950 -10.542 13.194 1.00 0.00 H new ATOM 583 N PHE A 34 -3.793 -4.414 11.538 1.00 0.00 N ATOM 584 CA PHE A 34 -3.564 -3.010 11.205 1.00 0.00 C ATOM 585 C PHE A 34 -4.078 -2.667 9.806 1.00 0.00 C ATOM 586 O PHE A 34 -3.834 -3.394 8.843 1.00 0.00 O ATOM 587 CB PHE A 34 -2.066 -2.688 11.326 1.00 0.00 C ATOM 588 CG PHE A 34 -1.514 -2.838 12.731 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.681 -1.802 13.668 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.856 -4.023 13.110 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.185 -1.948 14.978 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.357 -4.168 14.417 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.517 -3.128 15.349 1.00 0.00 C ATOM 0 H PHE A 34 -3.548 -5.050 10.779 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.124 -2.397 11.912 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.509 -3.343 10.656 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.896 -1.666 10.987 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.190 -0.893 13.382 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.734 -4.823 12.395 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.318 -1.154 15.697 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.149 -5.078 14.704 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.127 -3.235 16.350 1.00 0.00 H new ATOM 603 N MET A 35 -4.766 -1.531 9.707 1.00 0.00 N ATOM 604 CA MET A 35 -5.144 -0.870 8.457 1.00 0.00 C ATOM 605 C MET A 35 -4.151 0.259 8.174 1.00 0.00 C ATOM 606 O MET A 35 -3.574 0.838 9.098 1.00 0.00 O ATOM 607 CB MET A 35 -6.560 -0.278 8.533 1.00 0.00 C ATOM 608 CG MET A 35 -7.630 -1.286 8.948 1.00 0.00 C ATOM 609 SD MET A 35 -9.310 -0.662 8.688 1.00 0.00 S ATOM 610 CE MET A 35 -10.209 -2.233 8.644 1.00 0.00 C ATOM 0 H MET A 35 -5.090 -1.023 10.530 1.00 0.00 H new ATOM 0 HA MET A 35 -5.128 -1.614 7.661 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.560 0.550 9.242 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.823 0.136 7.560 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.496 -2.207 8.381 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.498 -1.538 10.000 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.271 -2.040 8.490 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.829 -2.847 7.827 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.069 -2.759 9.588 1.00 0.00 H new ATOM 620 N CYS A 36 -3.994 0.613 6.904 1.00 0.00 N ATOM 621 CA CYS A 36 -3.169 1.729 6.462 1.00 0.00 C ATOM 622 C CYS A 36 -3.821 2.456 5.281 1.00 0.00 C ATOM 623 O CYS A 36 -4.505 1.846 4.457 1.00 0.00 O ATOM 624 CB CYS A 36 -1.766 1.198 6.147 1.00 0.00 C ATOM 625 SG CYS A 36 -0.666 2.580 5.734 1.00 0.00 S ATOM 0 H CYS A 36 -4.448 0.120 6.135 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.079 2.477 7.250 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.373 0.652 7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.811 0.496 5.315 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.056 3.648 6.364 1.00 0.00 H new ATOM 631 N GLU A 37 -3.600 3.763 5.216 1.00 0.00 N ATOM 632 CA GLU A 37 -4.072 4.667 4.176 1.00 0.00 C ATOM 633 C GLU A 37 -2.896 5.529 3.698 1.00 0.00 C ATOM 634 O GLU A 37 -2.030 5.882 4.497 1.00 0.00 O ATOM 635 CB GLU A 37 -5.197 5.555 4.727 1.00 0.00 C ATOM 636 CG GLU A 37 -6.479 4.769 5.040 1.00 0.00 C ATOM 637 CD GLU A 37 -7.545 5.643 5.707 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.781 6.783 5.241 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.148 5.181 6.707 1.00 0.00 O ATOM 0 H GLU A 37 -3.055 4.248 5.929 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.466 4.094 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.851 6.051 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.424 6.337 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.880 4.350 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.239 3.930 5.693 1.00 0.00 H new ATOM 646 N VAL A 38 -2.870 5.886 2.412 1.00 0.00 N ATOM 647 CA VAL A 38 -1.811 6.704 1.799 1.00 0.00 C ATOM 648 C VAL A 38 -2.388 7.693 0.781 1.00 0.00 C ATOM 649 O VAL A 38 -3.317 7.368 0.040 1.00 0.00 O ATOM 650 CB VAL A 38 -0.679 5.837 1.200 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.117 5.029 -0.029 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.547 6.688 0.824 1.00 0.00 C ATOM 0 H VAL A 38 -3.597 5.611 1.751 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.355 7.294 2.594 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.414 5.133 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.275 4.444 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.931 4.359 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.456 5.710 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.322 6.045 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.258 7.435 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.930 7.187 1.714 1.00 0.00 H new ATOM 662 N ARG A 39 -1.841 8.912 0.790 1.00 0.00 N ATOM 663 CA ARG A 39 -2.299 10.065 0.009 1.00 0.00 C ATOM 664 C ARG A 39 -1.098 10.831 -0.576 1.00 0.00 C ATOM 665 O ARG A 39 0.017 10.733 -0.060 1.00 0.00 O ATOM 666 CB ARG A 39 -3.158 11.010 0.882 1.00 0.00 C ATOM 667 CG ARG A 39 -4.279 10.347 1.712 1.00 0.00 C ATOM 668 CD ARG A 39 -3.815 9.958 3.127 1.00 0.00 C ATOM 669 NE ARG A 39 -4.904 9.368 3.931 1.00 0.00 N ATOM 670 CZ ARG A 39 -5.010 9.435 5.256 1.00 0.00 C ATOM 671 NH1 ARG A 39 -4.171 10.113 6.005 1.00 0.00 N ATOM 672 NH2 ARG A 39 -5.965 8.817 5.905 1.00 0.00 N ATOM 0 H ARG A 39 -1.030 9.132 1.368 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.914 9.697 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.495 11.541 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.611 11.758 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.125 11.031 1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.633 9.457 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.993 9.246 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.428 10.841 3.636 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.637 8.867 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.397 10.618 5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.294 10.134 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.654 8.265 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.020 8.888 6.921 1.00 0.00 H new ATOM 686 N VAL A 40 -1.331 11.615 -1.629 1.00 0.00 N ATOM 687 CA VAL A 40 -0.330 12.459 -2.310 1.00 0.00 C ATOM 688 C VAL A 40 -0.988 13.792 -2.690 1.00 0.00 C ATOM 689 O VAL A 40 -2.125 13.807 -3.162 1.00 0.00 O ATOM 690 CB VAL A 40 0.258 11.760 -3.565 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.332 12.626 -4.247 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.906 10.402 -3.235 1.00 0.00 C ATOM 0 H VAL A 40 -2.256 11.687 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 40 0.503 12.635 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.592 11.609 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.720 12.103 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.892 13.574 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.146 12.815 -3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.301 9.956 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.718 10.550 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.158 9.738 -2.801 1.00 0.00 H new ATOM 702 N GLU A 41 -0.288 14.905 -2.454 1.00 0.00 N ATOM 703 CA GLU A 41 -0.788 16.262 -2.708 1.00 0.00 C ATOM 704 C GLU A 41 -1.116 16.480 -4.199 1.00 0.00 C ATOM 705 O GLU A 41 -0.302 16.192 -5.077 1.00 0.00 O ATOM 706 CB GLU A 41 0.242 17.287 -2.198 1.00 0.00 C ATOM 707 CG GLU A 41 -0.286 18.727 -2.257 1.00 0.00 C ATOM 708 CD GLU A 41 0.722 19.709 -1.640 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.650 19.966 -0.415 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.587 20.240 -2.378 1.00 0.00 O ATOM 0 H GLU A 41 0.659 14.890 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.723 16.400 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.514 17.044 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.151 17.212 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.482 19.004 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.235 18.792 -1.725 1.00 0.00 H new ATOM 717 N GLY A 42 -2.324 16.988 -4.479 1.00 0.00 N ATOM 718 CA GLY A 42 -2.836 17.228 -5.836 1.00 0.00 C ATOM 719 C GLY A 42 -3.669 16.078 -6.420 1.00 0.00 C ATOM 720 O GLY A 42 -4.154 16.204 -7.546 1.00 0.00 O ATOM 0 H GLY A 42 -2.989 17.250 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.446 18.131 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.993 17.421 -6.499 1.00 0.00 H new ATOM 724 N PHE A 43 -3.865 14.987 -5.669 1.00 0.00 N ATOM 725 CA PHE A 43 -4.676 13.826 -6.054 1.00 0.00 C ATOM 726 C PHE A 43 -5.859 13.656 -5.088 1.00 0.00 C ATOM 727 O PHE A 43 -5.693 13.715 -3.868 1.00 0.00 O ATOM 728 CB PHE A 43 -3.789 12.571 -6.100 1.00 0.00 C ATOM 729 CG PHE A 43 -2.680 12.651 -7.136 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.449 13.250 -6.804 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.895 12.185 -8.447 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.450 13.401 -7.780 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.888 12.323 -9.419 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.668 12.938 -9.090 1.00 0.00 C ATOM 0 H PHE A 43 -3.448 14.885 -4.744 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.092 13.983 -7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.346 12.412 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.412 11.703 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.273 13.594 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.835 11.721 -8.707 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.487 13.873 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.053 11.955 -10.421 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.100 13.055 -9.841 1.00 0.00 H new ATOM 744 N ASN A 44 -7.061 13.459 -5.638 1.00 0.00 N ATOM 745 CA ASN A 44 -8.317 13.449 -4.870 1.00 0.00 C ATOM 746 C ASN A 44 -8.623 12.101 -4.183 1.00 0.00 C ATOM 747 O ASN A 44 -9.500 12.030 -3.319 1.00 0.00 O ATOM 748 CB ASN A 44 -9.473 13.863 -5.797 1.00 0.00 C ATOM 749 CG ASN A 44 -9.322 15.284 -6.339 1.00 0.00 C ATOM 750 OD1 ASN A 44 -9.056 16.231 -5.606 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.487 15.479 -7.637 1.00 0.00 N ATOM 0 H ASN A 44 -7.194 13.300 -6.637 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.201 14.165 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.530 13.165 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.414 13.785 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.393 16.416 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.708 14.692 -8.247 1.00 0.00 H new ATOM 758 N TYR A 45 -7.906 11.031 -4.546 1.00 0.00 N ATOM 759 CA TYR A 45 -8.056 9.686 -3.976 1.00 0.00 C ATOM 760 C TYR A 45 -7.146 9.453 -2.752 1.00 0.00 C ATOM 761 O TYR A 45 -6.091 10.076 -2.608 1.00 0.00 O ATOM 762 CB TYR A 45 -7.783 8.655 -5.080 1.00 0.00 C ATOM 763 CG TYR A 45 -8.052 7.213 -4.686 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.370 6.795 -4.418 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.990 6.296 -4.560 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.625 5.471 -4.013 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.240 4.966 -4.170 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.560 4.553 -3.876 1.00 0.00 C ATOM 769 OH TYR A 45 -8.817 3.282 -3.458 1.00 0.00 O ATOM 0 H TYR A 45 -7.184 11.078 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.076 9.577 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.397 8.901 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.742 8.744 -5.391 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.188 7.492 -4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.978 6.615 -4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.637 5.156 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.424 4.262 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.988 2.869 -3.138 1.00 0.00 H new ATOM 779 N ALA A 46 -7.544 8.513 -1.889 1.00 0.00 N ATOM 780 CA ALA A 46 -6.741 7.983 -0.787 1.00 0.00 C ATOM 781 C ALA A 46 -6.734 6.448 -0.874 1.00 0.00 C ATOM 782 O ALA A 46 -7.771 5.806 -0.689 1.00 0.00 O ATOM 783 CB ALA A 46 -7.319 8.500 0.538 1.00 0.00 C ATOM 0 H ALA A 46 -8.469 8.086 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.706 8.319 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.729 8.112 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.287 9.589 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.352 8.166 0.639 1.00 0.00 H new ATOM 789 N GLY A 47 -5.567 5.869 -1.175 1.00 0.00 N ATOM 790 CA GLY A 47 -5.388 4.421 -1.319 1.00 0.00 C ATOM 791 C GLY A 47 -5.249 3.754 0.039 1.00 0.00 C ATOM 792 O GLY A 47 -4.736 4.369 0.975 1.00 0.00 O ATOM 0 H GLY A 47 -4.709 6.400 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.239 3.997 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.502 4.218 -1.921 1.00 0.00 H new ATOM 796 N MET A 48 -5.696 2.503 0.154 1.00 0.00 N ATOM 797 CA MET A 48 -5.851 1.823 1.439 1.00 0.00 C ATOM 798 C MET A 48 -5.640 0.306 1.382 1.00 0.00 C ATOM 799 O MET A 48 -5.943 -0.350 0.384 1.00 0.00 O ATOM 800 CB MET A 48 -7.225 2.183 2.025 1.00 0.00 C ATOM 801 CG MET A 48 -8.410 1.736 1.157 1.00 0.00 C ATOM 802 SD MET A 48 -10.040 2.207 1.797 1.00 0.00 S ATOM 803 CE MET A 48 -9.993 3.991 1.480 1.00 0.00 C ATOM 0 H MET A 48 -5.962 1.930 -0.647 1.00 0.00 H new ATOM 0 HA MET A 48 -5.055 2.178 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.318 1.729 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.277 3.263 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.291 2.158 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.376 0.652 1.051 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.982 4.417 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.276 4.461 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.692 4.169 0.448 1.00 0.00 H new ATOM 813 N GLY A 49 -5.110 -0.238 2.479 1.00 0.00 N ATOM 814 CA GLY A 49 -4.830 -1.661 2.683 1.00 0.00 C ATOM 815 C GLY A 49 -4.902 -2.068 4.152 1.00 0.00 C ATOM 816 O GLY A 49 -5.093 -1.232 5.034 1.00 0.00 O ATOM 0 H GLY A 49 -4.852 0.328 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.543 -2.254 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.838 -1.892 2.294 1.00 0.00 H new ATOM 820 N ASN A 50 -4.733 -3.362 4.423 1.00 0.00 N ATOM 821 CA ASN A 50 -4.667 -3.917 5.780 1.00 0.00 C ATOM 822 C ASN A 50 -3.849 -5.220 5.833 1.00 0.00 C ATOM 823 O ASN A 50 -3.628 -5.857 4.801 1.00 0.00 O ATOM 824 CB ASN A 50 -6.085 -4.091 6.357 1.00 0.00 C ATOM 825 CG ASN A 50 -6.881 -5.198 5.668 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.737 -6.375 5.976 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.743 -4.856 4.725 1.00 0.00 N ATOM 0 H ASN A 50 -4.636 -4.069 3.694 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.136 -3.205 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.013 -4.313 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.627 -3.150 6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.291 -5.573 4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.859 -3.875 4.472 1.00 0.00 H new ATOM 834 N SER A 51 -3.399 -5.612 7.026 1.00 0.00 N ATOM 835 CA SER A 51 -2.653 -6.854 7.287 1.00 0.00 C ATOM 836 C SER A 51 -2.528 -7.142 8.799 1.00 0.00 C ATOM 837 O SER A 51 -3.083 -6.417 9.629 1.00 0.00 O ATOM 838 CB SER A 51 -1.264 -6.787 6.625 1.00 0.00 C ATOM 839 OG SER A 51 -0.725 -8.090 6.493 1.00 0.00 O ATOM 0 H SER A 51 -3.547 -5.058 7.869 1.00 0.00 H new ATOM 0 HA SER A 51 -3.214 -7.679 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.342 -6.316 5.645 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.596 -6.168 7.224 1.00 0.00 H new ATOM 0 HG SER A 51 -0.461 -8.242 5.562 1.00 0.00 H new ATOM 845 N THR A 52 -1.768 -8.179 9.175 1.00 0.00 N ATOM 846 CA THR A 52 -1.406 -8.514 10.566 1.00 0.00 C ATOM 847 C THR A 52 -0.334 -7.595 11.151 1.00 0.00 C ATOM 848 O THR A 52 -0.081 -7.635 12.354 1.00 0.00 O ATOM 849 CB THR A 52 -0.914 -9.964 10.652 1.00 0.00 C ATOM 850 OG1 THR A 52 0.164 -10.135 9.751 1.00 0.00 O ATOM 851 CG2 THR A 52 -2.025 -10.958 10.306 1.00 0.00 C ATOM 0 H THR A 52 -1.373 -8.833 8.499 1.00 0.00 H new ATOM 0 HA THR A 52 -2.313 -8.377 11.154 1.00 0.00 H new ATOM 0 HB THR A 52 -0.596 -10.159 11.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.487 -11.059 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.639 -11.975 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.854 -10.835 11.003 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.375 -10.774 9.290 1.00 0.00 H new ATOM 859 N ASN A 53 0.302 -6.774 10.313 1.00 0.00 N ATOM 860 CA ASN A 53 1.486 -5.980 10.640 1.00 0.00 C ATOM 861 C ASN A 53 1.548 -4.673 9.829 1.00 0.00 C ATOM 862 O ASN A 53 1.053 -4.589 8.702 1.00 0.00 O ATOM 863 CB ASN A 53 2.741 -6.845 10.435 1.00 0.00 C ATOM 864 CG ASN A 53 2.979 -7.181 8.967 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.667 -6.454 8.261 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.406 -8.261 8.464 1.00 0.00 N ATOM 0 H ASN A 53 -0.007 -6.639 9.350 1.00 0.00 H new ATOM 0 HA ASN A 53 1.431 -5.677 11.686 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.610 -6.320 10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.640 -7.769 11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.535 -8.495 7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.835 -8.860 9.060 1.00 0.00 H new ATOM 873 N LYS A 54 2.180 -3.645 10.402 1.00 0.00 N ATOM 874 CA LYS A 54 2.220 -2.285 9.844 1.00 0.00 C ATOM 875 C LYS A 54 3.000 -2.164 8.522 1.00 0.00 C ATOM 876 O LYS A 54 2.686 -1.303 7.699 1.00 0.00 O ATOM 877 CB LYS A 54 2.806 -1.343 10.912 1.00 0.00 C ATOM 878 CG LYS A 54 1.887 -1.202 12.138 1.00 0.00 C ATOM 879 CD LYS A 54 2.448 -0.172 13.125 1.00 0.00 C ATOM 880 CE LYS A 54 1.523 -0.054 14.345 1.00 0.00 C ATOM 881 NZ LYS A 54 2.047 0.917 15.341 1.00 0.00 N ATOM 0 H LYS A 54 2.688 -3.733 11.282 1.00 0.00 H new ATOM 0 HA LYS A 54 1.198 -2.006 9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.778 -1.720 11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.974 -0.360 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.890 -0.899 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.783 -2.168 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.447 -0.468 13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.544 0.797 12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.530 0.258 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.412 -1.032 14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.396 0.970 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.983 0.606 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.129 1.856 14.901 1.00 0.00 H new ATOM 895 N LYS A 55 4.000 -3.019 8.289 1.00 0.00 N ATOM 896 CA LYS A 55 4.811 -3.018 7.058 1.00 0.00 C ATOM 897 C LYS A 55 4.008 -3.508 5.841 1.00 0.00 C ATOM 898 O LYS A 55 3.929 -2.820 4.822 1.00 0.00 O ATOM 899 CB LYS A 55 6.069 -3.877 7.281 1.00 0.00 C ATOM 900 CG LYS A 55 7.061 -3.236 8.265 1.00 0.00 C ATOM 901 CD LYS A 55 8.263 -4.164 8.502 1.00 0.00 C ATOM 902 CE LYS A 55 9.407 -3.492 9.280 1.00 0.00 C ATOM 903 NZ LYS A 55 9.015 -3.079 10.654 1.00 0.00 N ATOM 0 H LYS A 55 4.276 -3.741 8.954 1.00 0.00 H new ATOM 0 HA LYS A 55 5.109 -1.993 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.773 -4.856 7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.566 -4.040 6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.405 -2.279 7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.561 -3.030 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.930 -5.046 9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.641 -4.510 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.250 -4.180 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.749 -2.617 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.827 -2.633 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.229 -2.400 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.715 -3.915 11.195 1.00 0.00 H new ATOM 917 N ASP A 56 3.342 -4.657 5.961 1.00 0.00 N ATOM 918 CA ASP A 56 2.519 -5.223 4.890 1.00 0.00 C ATOM 919 C ASP A 56 1.208 -4.443 4.691 1.00 0.00 C ATOM 920 O ASP A 56 0.740 -4.315 3.562 1.00 0.00 O ATOM 921 CB ASP A 56 2.267 -6.705 5.179 1.00 0.00 C ATOM 922 CG ASP A 56 1.647 -7.439 3.979 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.348 -7.605 2.953 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.481 -7.885 4.091 1.00 0.00 O ATOM 0 H ASP A 56 3.358 -5.225 6.808 1.00 0.00 H new ATOM 0 HA ASP A 56 3.061 -5.134 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.208 -7.185 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.604 -6.797 6.040 1.00 0.00 H new ATOM 929 N ALA A 57 0.666 -3.827 5.752 1.00 0.00 N ATOM 930 CA ALA A 57 -0.470 -2.904 5.643 1.00 0.00 C ATOM 931 C ALA A 57 -0.124 -1.662 4.798 1.00 0.00 C ATOM 932 O ALA A 57 -0.881 -1.316 3.890 1.00 0.00 O ATOM 933 CB ALA A 57 -0.954 -2.531 7.052 1.00 0.00 C ATOM 0 H ALA A 57 1.003 -3.955 6.706 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.283 -3.403 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.798 -1.845 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.264 -3.432 7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.143 -2.050 7.600 1.00 0.00 H new ATOM 939 N GLN A 58 1.037 -1.036 5.038 1.00 0.00 N ATOM 940 CA GLN A 58 1.555 0.061 4.205 1.00 0.00 C ATOM 941 C GLN A 58 1.824 -0.388 2.766 1.00 0.00 C ATOM 942 O GLN A 58 1.535 0.351 1.830 1.00 0.00 O ATOM 943 CB GLN A 58 2.861 0.612 4.798 1.00 0.00 C ATOM 944 CG GLN A 58 2.645 1.539 6.000 1.00 0.00 C ATOM 945 CD GLN A 58 3.973 1.898 6.659 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.617 2.883 6.322 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.442 1.098 7.592 1.00 0.00 N ATOM 0 H GLN A 58 1.647 -1.277 5.819 1.00 0.00 H new ATOM 0 HA GLN A 58 0.788 0.835 4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.493 -0.222 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.402 1.155 4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.138 2.448 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.994 1.053 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.908 0.276 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.340 1.299 8.032 1.00 0.00 H new ATOM 956 N SER A 59 2.340 -1.601 2.572 1.00 0.00 N ATOM 957 CA SER A 59 2.593 -2.152 1.233 1.00 0.00 C ATOM 958 C SER A 59 1.290 -2.368 0.449 1.00 0.00 C ATOM 959 O SER A 59 1.229 -2.088 -0.749 1.00 0.00 O ATOM 960 CB SER A 59 3.369 -3.470 1.341 1.00 0.00 C ATOM 961 OG SER A 59 4.588 -3.294 2.051 1.00 0.00 O ATOM 0 H SER A 59 2.595 -2.231 3.333 1.00 0.00 H new ATOM 0 HA SER A 59 3.192 -1.424 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.755 -4.216 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.579 -3.854 0.343 1.00 0.00 H new ATOM 0 HG SER A 59 4.394 -3.129 2.997 1.00 0.00 H new ATOM 967 N ASN A 60 0.217 -2.786 1.127 1.00 0.00 N ATOM 968 CA ASN A 60 -1.106 -2.957 0.527 1.00 0.00 C ATOM 969 C ASN A 60 -1.788 -1.600 0.252 1.00 0.00 C ATOM 970 O ASN A 60 -2.435 -1.441 -0.784 1.00 0.00 O ATOM 971 CB ASN A 60 -1.958 -3.887 1.414 1.00 0.00 C ATOM 972 CG ASN A 60 -1.430 -5.327 1.461 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.756 -5.803 0.555 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.734 -6.074 2.509 1.00 0.00 N ATOM 0 H ASN A 60 0.245 -3.017 2.120 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.997 -3.432 -0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.989 -3.485 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.983 -3.894 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.408 -7.039 2.559 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.295 -5.685 3.267 1.00 0.00 H new ATOM 981 N ALA A 61 -1.583 -0.591 1.111 1.00 0.00 N ATOM 982 CA ALA A 61 -2.028 0.786 0.866 1.00 0.00 C ATOM 983 C ALA A 61 -1.315 1.419 -0.340 1.00 0.00 C ATOM 984 O ALA A 61 -1.967 2.019 -1.195 1.00 0.00 O ATOM 985 CB ALA A 61 -1.817 1.608 2.143 1.00 0.00 C ATOM 0 H ALA A 61 -1.100 -0.710 2.002 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.088 0.775 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.144 2.634 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.397 1.172 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.760 1.603 2.408 1.00 0.00 H new ATOM 991 N ALA A 62 0.003 1.225 -0.453 1.00 0.00 N ATOM 992 CA ALA A 62 0.797 1.667 -1.599 1.00 0.00 C ATOM 993 C ALA A 62 0.346 0.980 -2.896 1.00 0.00 C ATOM 994 O ALA A 62 0.069 1.663 -3.884 1.00 0.00 O ATOM 995 CB ALA A 62 2.275 1.407 -1.287 1.00 0.00 C ATOM 0 H ALA A 62 0.554 0.749 0.261 1.00 0.00 H new ATOM 0 HA ALA A 62 0.649 2.734 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.887 1.730 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.562 1.964 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.428 0.342 -1.114 1.00 0.00 H new ATOM 1001 N ARG A 63 0.182 -0.349 -2.875 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.346 -1.137 -3.998 1.00 0.00 C ATOM 1003 C ARG A 63 -1.696 -0.601 -4.489 1.00 0.00 C ATOM 1004 O ARG A 63 -1.891 -0.475 -5.697 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.441 -2.615 -3.568 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.949 -3.587 -4.646 1.00 0.00 C ATOM 1007 CD ARG A 63 -0.032 -3.706 -5.869 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.549 -4.730 -6.796 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.008 -5.144 -7.927 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.172 -4.694 -8.344 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.609 -6.040 -8.665 1.00 0.00 N ATOM 0 H ARG A 63 0.417 -0.918 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 63 0.336 -1.052 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.546 -2.945 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.101 -2.682 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.071 -4.574 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.936 -3.262 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.034 -2.744 -6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.977 -3.969 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.433 -5.169 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.679 -4.002 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.567 -5.037 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.511 -6.413 -8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.186 -6.362 -9.535 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.598 -0.230 -3.581 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.922 0.307 -3.913 1.00 0.00 C ATOM 1027 C ASP A 64 -3.872 1.740 -4.482 1.00 0.00 C ATOM 1028 O ASP A 64 -4.616 2.052 -5.413 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.806 0.223 -2.663 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.263 0.596 -2.961 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.950 -0.181 -3.667 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.710 1.661 -2.476 1.00 0.00 O ATOM 0 H ASP A 64 -2.429 -0.294 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.349 -0.297 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.767 -0.789 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.412 0.889 -1.895 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.955 2.591 -3.999 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.762 3.935 -4.557 1.00 0.00 C ATOM 1039 C PHE A 65 -2.024 3.913 -5.902 1.00 0.00 C ATOM 1040 O PHE A 65 -2.385 4.660 -6.807 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.048 4.844 -3.550 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.088 6.306 -3.957 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.247 7.071 -3.731 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.993 6.892 -4.620 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.311 8.411 -4.153 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.054 8.234 -5.037 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.213 8.993 -4.806 1.00 0.00 C ATOM 0 H PHE A 65 -2.334 2.370 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.753 4.345 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.512 4.730 -2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.010 4.526 -3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.094 6.626 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.103 6.309 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.204 8.992 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.207 8.682 -5.536 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.259 10.022 -5.130 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.041 3.026 -6.083 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.376 2.827 -7.388 1.00 0.00 C ATOM 1059 C VAL A 66 -1.368 2.282 -8.417 1.00 0.00 C ATOM 1060 O VAL A 66 -1.381 2.738 -9.558 1.00 0.00 O ATOM 1061 CB VAL A 66 0.858 1.909 -7.271 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.474 1.574 -8.639 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.933 2.601 -6.424 1.00 0.00 C ATOM 0 H VAL A 66 -0.681 2.427 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.021 3.800 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 66 0.520 0.982 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.339 0.926 -8.500 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.734 1.064 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.786 2.494 -9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.805 1.952 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.222 3.539 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.537 2.805 -5.429 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.266 1.384 -7.999 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.402 0.956 -8.830 1.00 0.00 C ATOM 1075 C ASN A 67 -4.261 2.149 -9.288 1.00 0.00 C ATOM 1076 O ASN A 67 -4.507 2.290 -10.483 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.250 -0.106 -8.110 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.845 -1.516 -8.523 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -4.420 -2.103 -9.431 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -2.840 -2.085 -7.885 1.00 0.00 N ATOM 0 H ASN A 67 -2.229 0.935 -7.084 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.990 0.497 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.136 0.005 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.304 0.053 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.535 -3.023 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.368 -1.587 -7.130 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.625 3.076 -8.395 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.262 4.349 -8.777 1.00 0.00 C ATOM 1089 C TYR A 68 -4.424 5.163 -9.785 1.00 0.00 C ATOM 1090 O TYR A 68 -4.956 5.570 -10.818 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.615 5.150 -7.514 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.811 6.639 -7.739 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.006 7.126 -8.305 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.779 7.537 -7.400 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.180 8.508 -8.510 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.947 8.919 -7.602 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.156 9.412 -8.144 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.338 10.754 -8.294 1.00 0.00 O ATOM 0 H TYR A 68 -4.489 2.969 -7.390 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.186 4.120 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.528 4.739 -7.083 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.823 5.009 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.790 6.437 -8.582 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.856 7.163 -6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.096 8.878 -8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.153 9.603 -7.343 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.261 11.194 -7.422 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.111 5.325 -9.561 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.215 6.047 -10.480 1.00 0.00 C ATOM 1110 C LEU A 69 -2.118 5.398 -11.873 1.00 0.00 C ATOM 1111 O LEU A 69 -2.034 6.115 -12.869 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.817 6.193 -9.859 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.705 7.071 -8.595 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.729 6.952 -8.060 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -1.057 8.538 -8.882 1.00 0.00 C ATOM 0 H LEU A 69 -2.638 4.958 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.655 7.033 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.448 5.197 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.150 6.603 -10.617 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.421 6.722 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.835 7.564 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.941 5.911 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.431 7.296 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.965 9.120 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.375 8.935 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.081 8.601 -9.251 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.193 4.068 -11.967 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.288 3.334 -13.247 1.00 0.00 C ATOM 1129 C VAL A 70 -3.642 3.575 -13.925 1.00 0.00 C ATOM 1130 O VAL A 70 -3.695 3.818 -15.130 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.048 1.815 -13.063 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.333 0.992 -14.331 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.599 1.538 -12.642 1.00 0.00 C ATOM 0 H VAL A 70 -2.190 3.456 -11.151 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.499 3.723 -13.891 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.749 1.507 -12.287 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.144 -0.063 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.374 1.125 -14.625 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.683 1.330 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.455 0.465 -12.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.080 1.910 -13.409 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.392 2.042 -11.698 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.729 3.568 -13.146 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.103 3.788 -13.633 1.00 0.00 C ATOM 1145 C ARG A 71 -6.349 5.221 -14.144 1.00 0.00 C ATOM 1146 O ARG A 71 -7.251 5.429 -14.956 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.115 3.399 -12.540 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.131 1.880 -12.283 1.00 0.00 C ATOM 1149 CD ARG A 71 -7.827 1.545 -10.958 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.591 0.142 -10.572 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.990 -0.442 -9.447 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -8.723 0.189 -8.553 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.642 -1.686 -9.201 1.00 0.00 N ATOM 0 H ARG A 71 -4.682 3.407 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.244 3.142 -14.500 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.868 3.921 -11.615 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.112 3.727 -12.835 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.643 1.376 -13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.109 1.502 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.460 2.207 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.898 1.724 -11.051 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.071 -0.436 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.002 1.157 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.012 -0.290 -7.700 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.069 -2.197 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.945 -2.139 -8.339 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.516 6.194 -13.747 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.482 7.567 -14.310 1.00 0.00 C ATOM 1169 C ILE A 72 -4.295 7.813 -15.267 1.00 0.00 C ATOM 1170 O ILE A 72 -4.083 8.943 -15.703 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.585 8.643 -13.198 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.347 8.680 -12.278 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.878 8.445 -12.384 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.234 9.962 -11.446 1.00 0.00 C ATOM 0 H ILE A 72 -4.827 6.052 -13.008 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.371 7.661 -14.934 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.621 9.613 -13.693 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.380 7.823 -11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.450 8.573 -12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.939 9.206 -11.606 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.741 8.531 -13.045 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.871 7.457 -11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.340 9.915 -10.825 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.169 10.823 -12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.113 10.061 -10.809 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.515 6.774 -15.593 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.407 6.771 -16.567 1.00 0.00 C ATOM 1188 C ASN A 73 -1.173 7.611 -16.143 1.00 0.00 C ATOM 1189 O ASN A 73 -0.338 7.972 -16.974 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.945 7.112 -17.975 1.00 0.00 C ATOM 1191 CG ASN A 73 -1.987 6.736 -19.105 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.336 5.694 -19.090 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -1.881 7.566 -20.128 1.00 0.00 N ATOM 0 H ASN A 73 -3.645 5.859 -15.161 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.004 5.759 -16.597 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.893 6.596 -18.127 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.152 8.181 -18.026 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.259 7.341 -20.905 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.421 8.431 -20.141 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.025 7.897 -14.842 1.00 0.00 N ATOM 1201 CA GLU A 74 0.137 8.590 -14.254 1.00 0.00 C ATOM 1202 C GLU A 74 1.270 7.623 -13.834 1.00 0.00 C ATOM 1203 O GLU A 74 2.367 8.057 -13.475 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.326 9.470 -13.080 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.217 10.646 -13.514 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.524 11.602 -14.501 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.634 12.007 -14.241 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.135 11.965 -15.533 1.00 0.00 O ATOM 0 H GLU A 74 -1.729 7.647 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 74 0.570 9.225 -15.027 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.873 8.853 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.549 9.859 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.124 10.255 -13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.523 11.206 -12.631 1.00 0.00 H new ATOM 1215 N VAL A 75 1.025 6.314 -13.928 1.00 0.00 N ATOM 1216 CA VAL A 75 2.000 5.218 -13.805 1.00 0.00 C ATOM 1217 C VAL A 75 1.697 4.204 -14.914 1.00 0.00 C ATOM 1218 O VAL A 75 0.531 3.907 -15.169 1.00 0.00 O ATOM 1219 CB VAL A 75 1.906 4.522 -12.423 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.833 3.303 -12.332 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.321 5.431 -11.262 1.00 0.00 C ATOM 0 H VAL A 75 0.083 5.965 -14.103 1.00 0.00 H new ATOM 0 HA VAL A 75 3.009 5.619 -13.898 1.00 0.00 H new ATOM 0 HB VAL A 75 0.855 4.244 -12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.736 2.845 -11.348 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.557 2.578 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.865 3.618 -12.485 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.233 4.885 -10.323 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.354 5.750 -11.401 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.672 6.306 -11.235 1.00 0.00 H new ATOM 1231 N LYS A 76 2.724 3.655 -15.571 1.00 0.00 N ATOM 1232 CA LYS A 76 2.563 2.522 -16.489 1.00 0.00 C ATOM 1233 C LYS A 76 2.698 1.194 -15.736 1.00 0.00 C ATOM 1234 O LYS A 76 3.647 0.974 -14.984 1.00 0.00 O ATOM 1235 CB LYS A 76 3.580 2.600 -17.636 1.00 0.00 C ATOM 1236 CG LYS A 76 3.597 3.952 -18.365 1.00 0.00 C ATOM 1237 CD LYS A 76 2.261 4.437 -18.952 1.00 0.00 C ATOM 1238 CE LYS A 76 1.651 3.439 -19.947 1.00 0.00 C ATOM 1239 NZ LYS A 76 0.457 4.008 -20.626 1.00 0.00 N ATOM 0 H LYS A 76 3.686 3.982 -15.482 1.00 0.00 H new ATOM 0 HA LYS A 76 1.563 2.572 -16.919 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.575 2.400 -17.239 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.360 1.813 -18.357 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.958 4.709 -17.669 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.323 3.892 -19.176 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.555 4.611 -18.140 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.415 5.393 -19.452 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.398 3.164 -20.692 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.372 2.525 -19.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.146 3.235 -20.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.080 4.591 -19.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.761 4.597 -21.428 1.00 0.00 H new ATOM 1253 N SER A 77 1.755 0.287 -15.958 1.00 0.00 N ATOM 1254 CA SER A 77 1.629 -0.966 -15.195 1.00 0.00 C ATOM 1255 C SER A 77 2.872 -1.867 -15.284 1.00 0.00 C ATOM 1256 O SER A 77 3.264 -2.474 -14.286 1.00 0.00 O ATOM 1257 CB SER A 77 0.380 -1.730 -15.653 1.00 0.00 C ATOM 1258 OG SER A 77 0.360 -1.880 -17.068 1.00 0.00 O ATOM 0 H SER A 77 1.043 0.395 -16.680 1.00 0.00 H new ATOM 0 HA SER A 77 1.533 -0.687 -14.146 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.357 -2.712 -15.180 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.514 -1.199 -15.328 1.00 0.00 H new ATOM 0 HG SER A 77 -0.445 -2.372 -17.333 1.00 0.00 H new ATOM 1264 N GLU A 78 3.566 -1.868 -16.428 1.00 0.00 N ATOM 1265 CA GLU A 78 4.776 -2.669 -16.668 1.00 0.00 C ATOM 1266 C GLU A 78 5.948 -2.308 -15.731 1.00 0.00 C ATOM 1267 O GLU A 78 6.865 -3.114 -15.558 1.00 0.00 O ATOM 1268 CB GLU A 78 5.216 -2.525 -18.136 1.00 0.00 C ATOM 1269 CG GLU A 78 4.221 -3.110 -19.151 1.00 0.00 C ATOM 1270 CD GLU A 78 4.123 -4.642 -19.054 1.00 0.00 C ATOM 1271 OE1 GLU A 78 5.032 -5.343 -19.559 1.00 0.00 O ATOM 1272 OE2 GLU A 78 3.129 -5.158 -18.491 1.00 0.00 O ATOM 0 H GLU A 78 3.298 -1.300 -17.232 1.00 0.00 H new ATOM 0 HA GLU A 78 4.512 -3.704 -16.450 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.365 -1.468 -18.357 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.180 -3.016 -18.265 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.236 -2.674 -18.984 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.527 -2.831 -20.159 1.00 0.00 H new ATOM 1279 N GLU A 79 5.908 -1.135 -15.087 1.00 0.00 N ATOM 1280 CA GLU A 79 6.906 -0.695 -14.105 1.00 0.00 C ATOM 1281 C GLU A 79 6.574 -1.131 -12.663 1.00 0.00 C ATOM 1282 O GLU A 79 7.452 -1.109 -11.799 1.00 0.00 O ATOM 1283 CB GLU A 79 7.007 0.839 -14.138 1.00 0.00 C ATOM 1284 CG GLU A 79 7.443 1.430 -15.488 1.00 0.00 C ATOM 1285 CD GLU A 79 8.840 0.954 -15.918 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.841 1.338 -15.268 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.950 0.216 -16.926 1.00 0.00 O ATOM 0 H GLU A 79 5.166 -0.452 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 79 7.849 -1.167 -14.382 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.037 1.258 -13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.714 1.159 -13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.717 1.153 -16.253 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.438 2.518 -15.423 1.00 0.00 H new ATOM 1294 N VAL A 80 5.328 -1.527 -12.390 1.00 0.00 N ATOM 1295 CA VAL A 80 4.803 -1.745 -11.029 1.00 0.00 C ATOM 1296 C VAL A 80 5.218 -3.126 -10.481 1.00 0.00 C ATOM 1297 O VAL A 80 4.921 -4.134 -11.129 1.00 0.00 O ATOM 1298 CB VAL A 80 3.260 -1.602 -10.983 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.734 -1.758 -9.548 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.795 -0.237 -11.515 1.00 0.00 C ATOM 0 H VAL A 80 4.638 -1.710 -13.119 1.00 0.00 H new ATOM 0 HA VAL A 80 5.239 -0.973 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 80 2.861 -2.393 -11.619 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.649 -1.653 -9.545 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.005 -2.742 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.175 -0.989 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.708 -0.178 -11.465 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.229 0.557 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.118 -0.121 -12.550 1.00 0.00 H new ATOM 1310 N PRO A 81 5.851 -3.207 -9.290 1.00 0.00 N ATOM 1311 CA PRO A 81 6.192 -4.472 -8.642 1.00 0.00 C ATOM 1312 C PRO A 81 4.971 -5.090 -7.942 1.00 0.00 C ATOM 1313 O PRO A 81 4.122 -4.385 -7.393 1.00 0.00 O ATOM 1314 CB PRO A 81 7.304 -4.123 -7.649 1.00 0.00 C ATOM 1315 CG PRO A 81 6.956 -2.697 -7.233 1.00 0.00 C ATOM 1316 CD PRO A 81 6.362 -2.090 -8.503 1.00 0.00 C ATOM 0 HA PRO A 81 6.520 -5.224 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.312 -4.802 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.290 -4.180 -8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.242 -2.682 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.838 -2.149 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.565 -1.387 -8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.118 -1.536 -9.059 1.00 0.00 H new