USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 521 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 33 MET CE :methyl -161:sc= -1.79 (180deg=-2.08) USER MOD Set 1.2: A 38 ASN : amide:sc= -1.22 X(o=-3,f=-3.3) USER MOD Set 2.1: A 36 ASN : amide:sc= -0.0324 X(o=-1.4,f=-1.3) USER MOD Set 2.2: A 43 CYS SG : rot -120:sc= -1.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.428 USER MOD Single : A 5 SER OG : rot 22:sc= 0.502 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.85 K(o=-0.85,f=-6.6!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 15 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.406 (180deg=0.406) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 32 CYS SG : rot 180:sc= -0.697 USER MOD Single : A 35 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= -2.05! C(o=-2!,f=-2.7!) USER MOD Single : A 44 CYS SG : rot 56:sc= 1.41 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0137 F(o=-0.68,f=-0.014) USER MOD Single : A 51 SER OG : rot 180:sc= -1.19 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.42) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0407 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 15:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.191 0.295 -19.694 1.00 0.00 N ATOM 2 CA GLY A 1 7.165 0.323 -20.723 1.00 0.00 C ATOM 3 C GLY A 1 7.317 -0.861 -21.680 1.00 0.00 C ATOM 4 O GLY A 1 7.929 -0.733 -22.739 1.00 0.00 O ATOM 0 H1 GLY A 1 8.067 1.108 -19.057 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.112 -0.587 -19.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.130 0.344 -20.139 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.179 0.296 -20.259 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.230 1.257 -21.281 1.00 0.00 H new ATOM 8 N SER A 2 6.748 -1.987 -21.273 1.00 0.00 N ATOM 9 CA SER A 2 6.813 -3.192 -22.082 1.00 0.00 C ATOM 10 C SER A 2 6.034 -4.320 -21.402 1.00 0.00 C ATOM 11 O SER A 2 5.998 -4.403 -20.175 1.00 0.00 O ATOM 12 CB SER A 2 8.263 -3.617 -22.322 1.00 0.00 C ATOM 13 OG SER A 2 8.574 -3.692 -23.710 1.00 0.00 O ATOM 0 H SER A 2 6.240 -2.090 -20.394 1.00 0.00 H new ATOM 0 HA SER A 2 6.361 -2.979 -23.051 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.934 -2.907 -21.838 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.438 -4.588 -21.858 1.00 0.00 H new ATOM 0 HG SER A 2 9.509 -3.965 -23.822 1.00 0.00 H new ATOM 19 N SER A 3 5.431 -5.161 -22.228 1.00 0.00 N ATOM 20 CA SER A 3 4.655 -6.281 -21.722 1.00 0.00 C ATOM 21 C SER A 3 5.572 -7.266 -20.994 1.00 0.00 C ATOM 22 O SER A 3 6.127 -8.174 -21.609 1.00 0.00 O ATOM 23 CB SER A 3 3.908 -6.990 -22.854 1.00 0.00 C ATOM 24 OG SER A 3 4.782 -7.380 -23.909 1.00 0.00 O ATOM 0 H SER A 3 5.464 -5.090 -23.245 1.00 0.00 H new ATOM 0 HA SER A 3 3.915 -5.895 -21.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.402 -7.871 -22.458 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.136 -6.329 -23.248 1.00 0.00 H new ATOM 0 HG SER A 3 5.582 -7.802 -23.532 1.00 0.00 H new ATOM 30 N GLY A 4 5.702 -7.052 -19.692 1.00 0.00 N ATOM 31 CA GLY A 4 6.542 -7.909 -18.873 1.00 0.00 C ATOM 32 C GLY A 4 5.694 -8.816 -17.980 1.00 0.00 C ATOM 33 O GLY A 4 4.836 -9.550 -18.470 1.00 0.00 O ATOM 0 H GLY A 4 5.239 -6.298 -19.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.181 -8.517 -19.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.200 -7.297 -18.256 1.00 0.00 H new ATOM 37 N SER A 5 5.962 -8.736 -16.685 1.00 0.00 N ATOM 38 CA SER A 5 5.234 -9.541 -15.719 1.00 0.00 C ATOM 39 C SER A 5 5.258 -8.861 -14.348 1.00 0.00 C ATOM 40 O SER A 5 4.208 -8.579 -13.773 1.00 0.00 O ATOM 41 CB SER A 5 5.820 -10.951 -15.623 1.00 0.00 C ATOM 42 OG SER A 5 5.392 -11.782 -16.698 1.00 0.00 O ATOM 0 H SER A 5 6.673 -8.126 -16.282 1.00 0.00 H new ATOM 0 HA SER A 5 4.201 -9.629 -16.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.908 -10.892 -15.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.524 -11.403 -14.676 1.00 0.00 H new ATOM 0 HG SER A 5 5.104 -11.223 -17.449 1.00 0.00 H new ATOM 48 N SER A 6 6.467 -8.618 -13.865 1.00 0.00 N ATOM 49 CA SER A 6 6.642 -7.977 -12.572 1.00 0.00 C ATOM 50 C SER A 6 7.606 -6.797 -12.700 1.00 0.00 C ATOM 51 O SER A 6 8.729 -6.957 -13.177 1.00 0.00 O ATOM 52 CB SER A 6 7.155 -8.972 -11.529 1.00 0.00 C ATOM 53 OG SER A 6 6.370 -10.161 -11.493 1.00 0.00 O ATOM 0 H SER A 6 7.335 -8.853 -14.345 1.00 0.00 H new ATOM 0 HA SER A 6 5.672 -7.610 -12.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.191 -9.228 -11.751 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.147 -8.502 -10.545 1.00 0.00 H new ATOM 0 HG SER A 6 6.731 -10.771 -10.816 1.00 0.00 H new ATOM 59 N GLY A 7 7.133 -5.638 -12.265 1.00 0.00 N ATOM 60 CA GLY A 7 7.940 -4.431 -12.324 1.00 0.00 C ATOM 61 C GLY A 7 8.881 -4.340 -11.121 1.00 0.00 C ATOM 62 O GLY A 7 9.087 -5.326 -10.414 1.00 0.00 O ATOM 0 H GLY A 7 6.201 -5.509 -11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.521 -4.423 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.290 -3.556 -12.349 1.00 0.00 H new ATOM 66 N GLN A 8 9.427 -3.149 -10.926 1.00 0.00 N ATOM 67 CA GLN A 8 10.341 -2.917 -9.820 1.00 0.00 C ATOM 68 C GLN A 8 9.795 -1.822 -8.902 1.00 0.00 C ATOM 69 O GLN A 8 9.280 -0.810 -9.374 1.00 0.00 O ATOM 70 CB GLN A 8 11.738 -2.559 -10.330 1.00 0.00 C ATOM 71 CG GLN A 8 11.677 -1.405 -11.332 1.00 0.00 C ATOM 72 CD GLN A 8 11.658 -1.928 -12.770 1.00 0.00 C ATOM 73 OE1 GLN A 8 10.863 -2.777 -13.138 1.00 0.00 O ATOM 74 NE2 GLN A 8 12.574 -1.375 -13.559 1.00 0.00 N ATOM 0 H GLN A 8 9.254 -2.334 -11.515 1.00 0.00 H new ATOM 0 HA GLN A 8 10.426 -3.838 -9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.376 -2.283 -9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.191 -3.431 -10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.786 -0.805 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.537 -0.750 -11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.209 -0.669 -13.186 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.642 -1.657 -14.537 1.00 0.00 H new ATOM 83 N ILE A 9 9.927 -2.061 -7.605 1.00 0.00 N ATOM 84 CA ILE A 9 9.454 -1.108 -6.616 1.00 0.00 C ATOM 85 C ILE A 9 9.975 0.287 -6.968 1.00 0.00 C ATOM 86 O ILE A 9 11.107 0.433 -7.427 1.00 0.00 O ATOM 87 CB ILE A 9 9.830 -1.567 -5.206 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.834 -2.604 -4.683 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.966 -0.374 -4.259 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.495 -1.951 -4.336 1.00 0.00 C ATOM 0 H ILE A 9 10.355 -2.901 -7.217 1.00 0.00 H new ATOM 0 HA ILE A 9 8.365 -1.055 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 9 10.805 -2.053 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.681 -3.378 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.244 -3.094 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.234 -0.728 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.743 0.296 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.018 0.162 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.805 -2.710 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.648 -1.194 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.077 -1.483 -5.227 1.00 0.00 H new ATOM 102 N ASP A 10 9.124 1.277 -6.740 1.00 0.00 N ATOM 103 CA ASP A 10 9.485 2.655 -7.027 1.00 0.00 C ATOM 104 C ASP A 10 9.613 3.428 -5.714 1.00 0.00 C ATOM 105 O ASP A 10 8.609 3.812 -5.115 1.00 0.00 O ATOM 106 CB ASP A 10 8.412 3.339 -7.877 1.00 0.00 C ATOM 107 CG ASP A 10 8.750 4.763 -8.321 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.372 5.479 -7.506 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.379 5.104 -9.465 1.00 0.00 O ATOM 0 H ASP A 10 8.186 1.152 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 10 10.429 2.650 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.230 2.732 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.481 3.362 -7.310 1.00 0.00 H new ATOM 114 N PHE A 11 10.856 3.635 -5.304 1.00 0.00 N ATOM 115 CA PHE A 11 11.128 4.356 -4.073 1.00 0.00 C ATOM 116 C PHE A 11 10.628 5.799 -4.160 1.00 0.00 C ATOM 117 O PHE A 11 10.138 6.351 -3.177 1.00 0.00 O ATOM 118 CB PHE A 11 12.647 4.365 -3.886 1.00 0.00 C ATOM 119 CG PHE A 11 13.185 3.163 -3.107 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.457 2.016 -3.038 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.391 3.242 -2.483 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.957 0.901 -2.315 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.890 2.127 -1.759 1.00 0.00 C ATOM 124 CZ PHE A 11 14.163 0.980 -1.691 1.00 0.00 C ATOM 0 H PHE A 11 11.686 3.316 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 11 10.618 3.873 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.123 4.393 -4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.933 5.279 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.499 1.953 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.969 4.153 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.380 -0.010 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.847 2.190 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.543 0.132 -1.141 1.00 0.00 H new ATOM 134 N GLN A 12 10.770 6.370 -5.348 1.00 0.00 N ATOM 135 CA GLN A 12 10.340 7.739 -5.577 1.00 0.00 C ATOM 136 C GLN A 12 8.830 7.863 -5.360 1.00 0.00 C ATOM 137 O GLN A 12 8.363 8.832 -4.764 1.00 0.00 O ATOM 138 CB GLN A 12 10.733 8.210 -6.978 1.00 0.00 C ATOM 139 CG GLN A 12 10.801 9.737 -7.044 1.00 0.00 C ATOM 140 CD GLN A 12 11.442 10.202 -8.353 1.00 0.00 C ATOM 141 OE1 GLN A 12 11.784 9.415 -9.221 1.00 0.00 O ATOM 142 NE2 GLN A 12 11.585 11.521 -8.448 1.00 0.00 N ATOM 0 H GLN A 12 11.177 5.909 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 12 10.846 8.384 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.700 7.787 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.009 7.843 -7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.797 10.153 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.376 10.116 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.277 12.124 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.002 11.930 -9.284 1.00 0.00 H new ATOM 151 N VAL A 13 8.109 6.868 -5.856 1.00 0.00 N ATOM 152 CA VAL A 13 6.662 6.854 -5.725 1.00 0.00 C ATOM 153 C VAL A 13 6.288 6.413 -4.309 1.00 0.00 C ATOM 154 O VAL A 13 5.259 6.827 -3.777 1.00 0.00 O ATOM 155 CB VAL A 13 6.047 5.968 -6.810 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.527 5.884 -6.651 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.426 6.467 -8.205 1.00 0.00 C ATOM 0 H VAL A 13 8.500 6.066 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 13 6.255 7.854 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 13 6.453 4.963 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.114 5.249 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.286 5.461 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.097 6.883 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.976 5.820 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.062 7.486 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.510 6.452 -8.315 1.00 0.00 H new ATOM 167 N LEU A 14 7.143 5.578 -3.737 1.00 0.00 N ATOM 168 CA LEU A 14 6.915 5.076 -2.393 1.00 0.00 C ATOM 169 C LEU A 14 7.170 6.197 -1.384 1.00 0.00 C ATOM 170 O LEU A 14 6.314 6.495 -0.552 1.00 0.00 O ATOM 171 CB LEU A 14 7.752 3.820 -2.141 1.00 0.00 C ATOM 172 CG LEU A 14 8.084 3.518 -0.678 1.00 0.00 C ATOM 173 CD1 LEU A 14 7.159 2.437 -0.118 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.561 3.150 -0.516 1.00 0.00 C ATOM 0 H LEU A 14 7.996 5.236 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 14 5.876 4.769 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.221 2.964 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.687 3.914 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 14 7.912 4.422 -0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.416 2.241 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.125 2.776 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.276 1.522 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.771 2.940 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.784 2.267 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.182 3.981 -0.851 1.00 0.00 H new ATOM 186 N HIS A 15 8.350 6.789 -1.491 1.00 0.00 N ATOM 187 CA HIS A 15 8.728 7.872 -0.599 1.00 0.00 C ATOM 188 C HIS A 15 7.519 8.774 -0.346 1.00 0.00 C ATOM 189 O HIS A 15 7.273 9.186 0.787 1.00 0.00 O ATOM 190 CB HIS A 15 9.933 8.636 -1.151 1.00 0.00 C ATOM 191 CG HIS A 15 10.490 9.671 -0.204 1.00 0.00 C ATOM 192 ND1 HIS A 15 11.343 10.681 -0.614 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.307 9.843 1.137 1.00 0.00 C ATOM 194 CE1 HIS A 15 11.654 11.421 0.440 1.00 0.00 C ATOM 195 NE2 HIS A 15 11.011 10.900 1.524 1.00 0.00 N ATOM 0 H HIS A 15 9.057 6.539 -2.182 1.00 0.00 H new ATOM 0 HA HIS A 15 9.040 7.464 0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.720 7.923 -1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.644 9.127 -2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.694 9.224 1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.302 12.285 0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.063 11.263 2.476 1.00 0.00 H new ATOM 203 N ASP A 16 6.796 9.056 -1.420 1.00 0.00 N ATOM 204 CA ASP A 16 5.618 9.902 -1.329 1.00 0.00 C ATOM 205 C ASP A 16 4.559 9.204 -0.474 1.00 0.00 C ATOM 206 O ASP A 16 4.019 9.797 0.459 1.00 0.00 O ATOM 207 CB ASP A 16 5.016 10.158 -2.711 1.00 0.00 C ATOM 208 CG ASP A 16 4.239 11.470 -2.846 1.00 0.00 C ATOM 209 OD1 ASP A 16 4.886 12.530 -2.697 1.00 0.00 O ATOM 210 OD2 ASP A 16 3.017 11.383 -3.094 1.00 0.00 O ATOM 0 H ASP A 16 7.003 8.713 -2.358 1.00 0.00 H new ATOM 0 HA ASP A 16 5.918 10.851 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.820 10.152 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.350 9.332 -2.959 1.00 0.00 H new ATOM 215 N LEU A 17 4.293 7.954 -0.822 1.00 0.00 N ATOM 216 CA LEU A 17 3.308 7.169 -0.098 1.00 0.00 C ATOM 217 C LEU A 17 3.737 7.044 1.366 1.00 0.00 C ATOM 218 O LEU A 17 2.961 7.347 2.271 1.00 0.00 O ATOM 219 CB LEU A 17 3.082 5.822 -0.789 1.00 0.00 C ATOM 220 CG LEU A 17 2.734 5.883 -2.277 1.00 0.00 C ATOM 221 CD1 LEU A 17 3.104 4.575 -2.980 1.00 0.00 C ATOM 222 CD2 LEU A 17 1.262 6.247 -2.482 1.00 0.00 C ATOM 0 H LEU A 17 4.743 7.465 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 17 2.341 7.672 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.983 5.220 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.279 5.299 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 17 3.328 6.674 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.846 4.644 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.175 4.398 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.555 3.750 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.041 6.284 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.632 5.495 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.063 7.222 -2.037 1.00 0.00 H new ATOM 234 N ARG A 18 4.971 6.599 1.552 1.00 0.00 N ATOM 235 CA ARG A 18 5.512 6.431 2.890 1.00 0.00 C ATOM 236 C ARG A 18 5.083 7.595 3.786 1.00 0.00 C ATOM 237 O ARG A 18 4.937 7.430 4.996 1.00 0.00 O ATOM 238 CB ARG A 18 7.040 6.356 2.861 1.00 0.00 C ATOM 239 CG ARG A 18 7.512 4.963 2.438 1.00 0.00 C ATOM 240 CD ARG A 18 7.425 3.977 3.605 1.00 0.00 C ATOM 241 NE ARG A 18 6.041 3.472 3.739 1.00 0.00 N ATOM 242 CZ ARG A 18 5.547 2.922 4.857 1.00 0.00 C ATOM 243 NH1 ARG A 18 6.321 2.803 5.944 1.00 0.00 N ATOM 244 NH2 ARG A 18 4.278 2.491 4.887 1.00 0.00 N ATOM 0 H ARG A 18 5.612 6.350 0.798 1.00 0.00 H new ATOM 0 HA ARG A 18 5.121 5.496 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.431 7.102 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.438 6.595 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.902 4.605 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.540 5.017 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.110 3.145 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.733 4.466 4.529 1.00 0.00 H new ATOM 0 HE ARG A 18 5.424 3.547 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.287 3.131 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.945 2.384 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.689 2.582 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.902 2.072 5.738 1.00 0.00 H new ATOM 258 N GLN A 19 4.892 8.745 3.157 1.00 0.00 N ATOM 259 CA GLN A 19 4.483 9.936 3.882 1.00 0.00 C ATOM 260 C GLN A 19 2.969 9.926 4.107 1.00 0.00 C ATOM 261 O GLN A 19 2.500 10.197 5.211 1.00 0.00 O ATOM 262 CB GLN A 19 4.920 11.204 3.146 1.00 0.00 C ATOM 263 CG GLN A 19 6.353 11.588 3.519 1.00 0.00 C ATOM 264 CD GLN A 19 6.380 12.883 4.332 1.00 0.00 C ATOM 265 OE1 GLN A 19 5.746 13.870 3.997 1.00 0.00 O ATOM 266 NE2 GLN A 19 7.147 12.825 5.417 1.00 0.00 N ATOM 0 H GLN A 19 5.013 8.878 2.153 1.00 0.00 H new ATOM 0 HA GLN A 19 4.976 9.933 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.850 11.046 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.244 12.023 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.811 10.783 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.948 11.710 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.651 11.967 5.640 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.231 13.639 6.026 1.00 0.00 H new ATOM 275 N LYS A 20 2.247 9.612 3.041 1.00 0.00 N ATOM 276 CA LYS A 20 0.796 9.563 3.108 1.00 0.00 C ATOM 277 C LYS A 20 0.370 8.419 4.030 1.00 0.00 C ATOM 278 O LYS A 20 -0.611 8.539 4.761 1.00 0.00 O ATOM 279 CB LYS A 20 0.198 9.476 1.702 1.00 0.00 C ATOM 280 CG LYS A 20 0.264 10.830 0.993 1.00 0.00 C ATOM 281 CD LYS A 20 -0.008 10.678 -0.505 1.00 0.00 C ATOM 282 CE LYS A 20 0.100 12.026 -1.221 1.00 0.00 C ATOM 283 NZ LYS A 20 1.468 12.574 -1.090 1.00 0.00 N ATOM 0 H LYS A 20 2.640 9.389 2.126 1.00 0.00 H new ATOM 0 HA LYS A 20 0.403 10.483 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.738 8.730 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.838 9.144 1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.466 11.510 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.247 11.276 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.703 9.974 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.003 10.260 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.151 11.906 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.621 12.727 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.529 13.481 -1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.687 12.723 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.151 11.904 -1.498 1.00 0.00 H new ATOM 297 N PHE A 21 1.130 7.336 3.965 1.00 0.00 N ATOM 298 CA PHE A 21 0.843 6.171 4.785 1.00 0.00 C ATOM 299 C PHE A 21 2.070 5.760 5.602 1.00 0.00 C ATOM 300 O PHE A 21 2.698 4.742 5.317 1.00 0.00 O ATOM 301 CB PHE A 21 0.476 5.032 3.832 1.00 0.00 C ATOM 302 CG PHE A 21 -0.717 5.340 2.924 1.00 0.00 C ATOM 303 CD1 PHE A 21 -1.984 5.129 3.371 1.00 0.00 C ATOM 304 CD2 PHE A 21 -0.510 5.826 1.671 1.00 0.00 C ATOM 305 CE1 PHE A 21 -3.090 5.415 2.529 1.00 0.00 C ATOM 306 CE2 PHE A 21 -1.616 6.113 0.829 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.883 5.901 1.275 1.00 0.00 C ATOM 0 H PHE A 21 1.944 7.240 3.358 1.00 0.00 H new ATOM 0 HA PHE A 21 0.035 6.396 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.341 4.798 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.253 4.140 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.148 4.744 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.496 5.994 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.096 5.247 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.451 6.500 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.725 6.118 0.634 1.00 0.00 H new ATOM 317 N PRO A 22 2.382 6.596 6.629 1.00 0.00 N ATOM 318 CA PRO A 22 3.523 6.330 7.490 1.00 0.00 C ATOM 319 C PRO A 22 3.221 5.189 8.464 1.00 0.00 C ATOM 320 O PRO A 22 4.093 4.375 8.762 1.00 0.00 O ATOM 321 CB PRO A 22 3.804 7.650 8.190 1.00 0.00 C ATOM 322 CG PRO A 22 2.534 8.474 8.050 1.00 0.00 C ATOM 323 CD PRO A 22 1.661 7.810 6.997 1.00 0.00 C ATOM 0 HA PRO A 22 4.399 5.994 6.935 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.053 7.491 9.239 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.653 8.160 7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.008 8.529 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.773 9.497 7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.672 7.579 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.516 8.461 6.135 1.00 0.00 H new ATOM 331 N GLU A 23 1.982 5.167 8.933 1.00 0.00 N ATOM 332 CA GLU A 23 1.553 4.139 9.867 1.00 0.00 C ATOM 333 C GLU A 23 1.088 2.894 9.109 1.00 0.00 C ATOM 334 O GLU A 23 0.029 2.343 9.405 1.00 0.00 O ATOM 335 CB GLU A 23 0.452 4.663 10.790 1.00 0.00 C ATOM 336 CG GLU A 23 -0.833 4.943 10.008 1.00 0.00 C ATOM 337 CD GLU A 23 -1.754 5.885 10.785 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.854 5.693 12.016 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.338 6.776 10.131 1.00 0.00 O ATOM 0 H GLU A 23 1.261 5.844 8.684 1.00 0.00 H new ATOM 0 HA GLU A 23 2.403 3.864 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.253 3.933 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.789 5.576 11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.586 5.385 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.352 4.006 9.807 1.00 0.00 H new ATOM 346 N VAL A 24 1.903 2.486 8.148 1.00 0.00 N ATOM 347 CA VAL A 24 1.589 1.316 7.346 1.00 0.00 C ATOM 348 C VAL A 24 2.864 0.503 7.115 1.00 0.00 C ATOM 349 O VAL A 24 3.942 1.070 6.938 1.00 0.00 O ATOM 350 CB VAL A 24 0.907 1.742 6.044 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.729 0.549 5.103 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.433 2.424 6.324 1.00 0.00 C ATOM 0 H VAL A 24 2.781 2.945 7.906 1.00 0.00 H new ATOM 0 HA VAL A 24 0.884 0.671 7.871 1.00 0.00 H new ATOM 0 HB VAL A 24 1.554 2.466 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.242 0.879 4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.704 0.125 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.113 -0.208 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.896 2.717 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.090 1.733 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.269 3.310 6.938 1.00 0.00 H new ATOM 362 N PRO A 25 2.696 -0.846 7.124 1.00 0.00 N ATOM 363 CA PRO A 25 3.821 -1.742 6.918 1.00 0.00 C ATOM 364 C PRO A 25 4.237 -1.770 5.446 1.00 0.00 C ATOM 365 O PRO A 25 3.509 -2.287 4.600 1.00 0.00 O ATOM 366 CB PRO A 25 3.345 -3.094 7.425 1.00 0.00 C ATOM 367 CG PRO A 25 1.828 -3.014 7.465 1.00 0.00 C ATOM 368 CD PRO A 25 1.434 -1.552 7.330 1.00 0.00 C ATOM 0 HA PRO A 25 4.716 -1.423 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.676 -3.897 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.751 -3.305 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.393 -3.603 6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.449 -3.427 8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.754 -1.401 6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.922 -1.196 8.224 1.00 0.00 H new ATOM 376 N GLU A 26 5.408 -1.206 5.185 1.00 0.00 N ATOM 377 CA GLU A 26 5.930 -1.159 3.830 1.00 0.00 C ATOM 378 C GLU A 26 5.659 -2.482 3.110 1.00 0.00 C ATOM 379 O GLU A 26 5.240 -2.490 1.954 1.00 0.00 O ATOM 380 CB GLU A 26 7.424 -0.830 3.829 1.00 0.00 C ATOM 381 CG GLU A 26 7.869 -0.304 2.463 1.00 0.00 C ATOM 382 CD GLU A 26 9.275 -0.798 2.116 1.00 0.00 C ATOM 383 OE1 GLU A 26 9.451 -2.036 2.088 1.00 0.00 O ATOM 384 OE2 GLU A 26 10.142 0.072 1.887 1.00 0.00 O ATOM 0 H GLU A 26 6.009 -0.778 5.889 1.00 0.00 H new ATOM 0 HA GLU A 26 5.416 -0.363 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.636 -0.085 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.997 -1.722 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.166 -0.631 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.853 0.786 2.466 1.00 0.00 H new ATOM 391 N VAL A 27 5.910 -3.570 3.825 1.00 0.00 N ATOM 392 CA VAL A 27 5.699 -4.895 3.270 1.00 0.00 C ATOM 393 C VAL A 27 4.359 -4.927 2.531 1.00 0.00 C ATOM 394 O VAL A 27 4.257 -5.500 1.448 1.00 0.00 O ATOM 395 CB VAL A 27 5.797 -5.948 4.376 1.00 0.00 C ATOM 396 CG1 VAL A 27 5.010 -5.516 5.615 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.325 -7.315 3.875 1.00 0.00 C ATOM 0 H VAL A 27 6.258 -3.560 4.784 1.00 0.00 H new ATOM 0 HA VAL A 27 6.476 -5.133 2.544 1.00 0.00 H new ATOM 0 HB VAL A 27 6.845 -6.039 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.096 -6.282 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.412 -4.575 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.961 -5.383 5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.405 -8.045 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.287 -7.245 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.947 -7.630 3.037 1.00 0.00 H new ATOM 407 N VAL A 28 3.366 -4.303 3.147 1.00 0.00 N ATOM 408 CA VAL A 28 2.037 -4.252 2.562 1.00 0.00 C ATOM 409 C VAL A 28 2.051 -3.312 1.355 1.00 0.00 C ATOM 410 O VAL A 28 1.588 -3.675 0.275 1.00 0.00 O ATOM 411 CB VAL A 28 1.012 -3.847 3.624 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.304 -3.412 2.977 1.00 0.00 C ATOM 413 CG2 VAL A 28 0.783 -4.980 4.625 1.00 0.00 C ATOM 0 H VAL A 28 3.455 -3.828 4.045 1.00 0.00 H new ATOM 0 HA VAL A 28 1.740 -5.237 2.203 1.00 0.00 H new ATOM 0 HB VAL A 28 1.415 -2.994 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.015 -3.129 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.123 -2.559 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.713 -4.237 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.051 -4.666 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.412 -5.860 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.723 -5.223 5.121 1.00 0.00 H new ATOM 423 N VAL A 29 2.588 -2.121 1.579 1.00 0.00 N ATOM 424 CA VAL A 29 2.669 -1.126 0.524 1.00 0.00 C ATOM 425 C VAL A 29 3.200 -1.783 -0.752 1.00 0.00 C ATOM 426 O VAL A 29 2.516 -1.806 -1.774 1.00 0.00 O ATOM 427 CB VAL A 29 3.520 0.058 0.985 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.682 1.087 -0.135 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.928 0.703 2.240 1.00 0.00 C ATOM 0 H VAL A 29 2.971 -1.823 2.476 1.00 0.00 H new ATOM 0 HA VAL A 29 1.679 -0.729 0.298 1.00 0.00 H new ATOM 0 HB VAL A 29 4.510 -0.321 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.291 1.918 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.169 0.620 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.701 1.458 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.552 1.542 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.921 1.060 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.889 -0.033 3.043 1.00 0.00 H new ATOM 439 N SER A 30 4.415 -2.302 -0.650 1.00 0.00 N ATOM 440 CA SER A 30 5.046 -2.958 -1.782 1.00 0.00 C ATOM 441 C SER A 30 4.012 -3.784 -2.551 1.00 0.00 C ATOM 442 O SER A 30 3.648 -3.439 -3.674 1.00 0.00 O ATOM 443 CB SER A 30 6.204 -3.848 -1.328 1.00 0.00 C ATOM 444 OG SER A 30 6.368 -4.984 -2.173 1.00 0.00 O ATOM 0 H SER A 30 4.979 -2.281 0.200 1.00 0.00 H new ATOM 0 HA SER A 30 5.451 -2.189 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.126 -3.267 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.027 -4.180 -0.305 1.00 0.00 H new ATOM 0 HG SER A 30 7.118 -5.526 -1.851 1.00 0.00 H new ATOM 450 N ARG A 31 3.569 -4.859 -1.916 1.00 0.00 N ATOM 451 CA ARG A 31 2.584 -5.736 -2.526 1.00 0.00 C ATOM 452 C ARG A 31 1.500 -4.912 -3.224 1.00 0.00 C ATOM 453 O ARG A 31 1.004 -5.301 -4.281 1.00 0.00 O ATOM 454 CB ARG A 31 1.932 -6.643 -1.481 1.00 0.00 C ATOM 455 CG ARG A 31 1.661 -8.035 -2.056 1.00 0.00 C ATOM 456 CD ARG A 31 0.543 -8.739 -1.285 1.00 0.00 C ATOM 457 NE ARG A 31 0.416 -10.140 -1.743 1.00 0.00 N ATOM 458 CZ ARG A 31 -0.384 -11.049 -1.168 1.00 0.00 C ATOM 459 NH1 ARG A 31 -1.132 -10.709 -0.110 1.00 0.00 N ATOM 460 NH2 ARG A 31 -0.435 -12.298 -1.652 1.00 0.00 N ATOM 0 H ARG A 31 3.874 -5.143 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 31 3.101 -6.357 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.582 -6.726 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.997 -6.198 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.385 -7.951 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.571 -8.634 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.756 -8.715 -0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.400 -8.212 -1.434 1.00 0.00 H new ATOM 0 HE ARG A 31 0.972 -10.433 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.093 -9.758 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.741 -11.401 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.135 -12.556 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.044 -12.990 -1.215 1.00 0.00 H new ATOM 474 N CYS A 32 1.164 -3.790 -2.606 1.00 0.00 N ATOM 475 CA CYS A 32 0.147 -2.909 -3.155 1.00 0.00 C ATOM 476 C CYS A 32 0.695 -2.286 -4.441 1.00 0.00 C ATOM 477 O CYS A 32 0.050 -2.345 -5.486 1.00 0.00 O ATOM 478 CB CYS A 32 -0.284 -1.844 -2.144 1.00 0.00 C ATOM 479 SG CYS A 32 -2.110 -1.752 -2.074 1.00 0.00 S ATOM 0 H CYS A 32 1.578 -3.470 -1.730 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.751 -3.483 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.114 -2.084 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.127 -0.875 -2.427 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.466 -0.847 -1.211 1.00 0.00 H new ATOM 485 N MET A 33 1.879 -1.704 -4.321 1.00 0.00 N ATOM 486 CA MET A 33 2.521 -1.071 -5.461 1.00 0.00 C ATOM 487 C MET A 33 2.782 -2.086 -6.576 1.00 0.00 C ATOM 488 O MET A 33 2.326 -1.906 -7.703 1.00 0.00 O ATOM 489 CB MET A 33 3.845 -0.445 -5.019 1.00 0.00 C ATOM 490 CG MET A 33 3.605 0.826 -4.202 1.00 0.00 C ATOM 491 SD MET A 33 3.906 2.267 -5.211 1.00 0.00 S ATOM 492 CE MET A 33 5.677 2.150 -5.398 1.00 0.00 C ATOM 0 H MET A 33 2.411 -1.657 -3.452 1.00 0.00 H new ATOM 0 HA MET A 33 1.855 -0.299 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.410 -1.163 -4.424 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.450 -0.210 -5.894 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.581 0.840 -3.829 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.261 0.838 -3.332 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.076 3.118 -5.700 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.124 1.853 -4.449 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.914 1.407 -6.159 1.00 0.00 H new ATOM 502 N LEU A 34 3.516 -3.130 -6.221 1.00 0.00 N ATOM 503 CA LEU A 34 3.844 -4.174 -7.178 1.00 0.00 C ATOM 504 C LEU A 34 2.586 -4.558 -7.958 1.00 0.00 C ATOM 505 O LEU A 34 2.666 -4.928 -9.129 1.00 0.00 O ATOM 506 CB LEU A 34 4.515 -5.355 -6.473 1.00 0.00 C ATOM 507 CG LEU A 34 6.022 -5.228 -6.239 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.566 -6.450 -5.497 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.762 -4.979 -7.554 1.00 0.00 C ATOM 0 H LEU A 34 3.893 -3.276 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 34 4.571 -3.811 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.029 -5.501 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.333 -6.255 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 34 6.197 -4.361 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.639 -6.335 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.069 -6.540 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.378 -7.347 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.831 -4.893 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.583 -5.811 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.400 -4.056 -8.006 1.00 0.00 H new ATOM 521 N GLN A 35 1.453 -4.456 -7.279 1.00 0.00 N ATOM 522 CA GLN A 35 0.179 -4.788 -7.894 1.00 0.00 C ATOM 523 C GLN A 35 -0.277 -3.655 -8.815 1.00 0.00 C ATOM 524 O GLN A 35 -0.818 -3.904 -9.891 1.00 0.00 O ATOM 525 CB GLN A 35 -0.880 -5.093 -6.833 1.00 0.00 C ATOM 526 CG GLN A 35 -1.226 -6.583 -6.816 1.00 0.00 C ATOM 527 CD GLN A 35 -2.726 -6.795 -6.598 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.294 -6.408 -5.589 1.00 0.00 O ATOM 529 NE2 GLN A 35 -3.334 -7.429 -7.596 1.00 0.00 N ATOM 0 H GLN A 35 1.391 -4.148 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 35 0.312 -5.687 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.515 -4.790 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.779 -4.510 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.923 -7.041 -7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.666 -7.081 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.799 -7.726 -8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.335 -7.618 -7.545 1.00 0.00 H new ATOM 538 N ASN A 36 -0.043 -2.433 -8.358 1.00 0.00 N ATOM 539 CA ASN A 36 -0.423 -1.261 -9.127 1.00 0.00 C ATOM 540 C ASN A 36 0.767 -0.804 -9.974 1.00 0.00 C ATOM 541 O ASN A 36 0.870 0.371 -10.323 1.00 0.00 O ATOM 542 CB ASN A 36 -0.820 -0.104 -8.207 1.00 0.00 C ATOM 543 CG ASN A 36 -2.130 -0.409 -7.477 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.197 -0.476 -8.064 1.00 0.00 O ATOM 545 ND2 ASN A 36 -1.989 -0.591 -6.167 1.00 0.00 N ATOM 0 H ASN A 36 0.405 -2.230 -7.465 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.272 -1.531 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.028 0.076 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.929 0.809 -8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.804 -0.801 -5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.066 -0.521 -5.739 1.00 0.00 H new ATOM 552 N ASN A 37 1.635 -1.756 -10.279 1.00 0.00 N ATOM 553 CA ASN A 37 2.813 -1.467 -11.079 1.00 0.00 C ATOM 554 C ASN A 37 3.489 -0.202 -10.544 1.00 0.00 C ATOM 555 O ASN A 37 4.019 0.596 -11.315 1.00 0.00 O ATOM 556 CB ASN A 37 2.439 -1.220 -12.542 1.00 0.00 C ATOM 557 CG ASN A 37 1.851 -2.481 -13.177 1.00 0.00 C ATOM 558 OD1 ASN A 37 0.950 -3.112 -12.649 1.00 0.00 O ATOM 559 ND2 ASN A 37 2.409 -2.813 -14.338 1.00 0.00 N ATOM 0 H ASN A 37 1.546 -2.729 -9.987 1.00 0.00 H new ATOM 0 HA ASN A 37 3.481 -2.326 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.716 -0.406 -12.604 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.322 -0.906 -13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.086 -3.639 -14.841 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.160 -2.241 -14.725 1.00 0.00 H new ATOM 566 N ASN A 38 3.448 -0.060 -9.227 1.00 0.00 N ATOM 567 CA ASN A 38 4.050 1.094 -8.580 1.00 0.00 C ATOM 568 C ASN A 38 3.342 2.365 -9.054 1.00 0.00 C ATOM 569 O ASN A 38 3.682 2.917 -10.099 1.00 0.00 O ATOM 570 CB ASN A 38 5.532 1.216 -8.940 1.00 0.00 C ATOM 571 CG ASN A 38 6.147 -0.159 -9.208 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.420 -0.536 -10.336 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.348 -0.885 -8.112 1.00 0.00 N ATOM 0 H ASN A 38 3.008 -0.724 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 38 3.950 0.967 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.645 1.847 -9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.068 1.706 -8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.754 -1.818 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.097 -0.509 -7.198 1.00 0.00 H new ATOM 580 N ASN A 39 2.370 2.793 -8.261 1.00 0.00 N ATOM 581 CA ASN A 39 1.612 3.989 -8.586 1.00 0.00 C ATOM 582 C ASN A 39 1.565 4.906 -7.362 1.00 0.00 C ATOM 583 O ASN A 39 1.854 4.474 -6.247 1.00 0.00 O ATOM 584 CB ASN A 39 0.173 3.640 -8.970 1.00 0.00 C ATOM 585 CG ASN A 39 -0.165 4.169 -10.366 1.00 0.00 C ATOM 586 OD1 ASN A 39 0.072 5.319 -10.696 1.00 0.00 O ATOM 587 ND2 ASN A 39 -0.731 3.268 -11.163 1.00 0.00 N ATOM 0 H ASN A 39 2.090 2.333 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 39 2.101 4.481 -9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.038 2.559 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.515 4.065 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.995 3.523 -12.115 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.901 2.322 -10.823 1.00 0.00 H new ATOM 594 N LEU A 40 1.199 6.154 -7.611 1.00 0.00 N ATOM 595 CA LEU A 40 1.111 7.136 -6.544 1.00 0.00 C ATOM 596 C LEU A 40 -0.319 7.164 -5.999 1.00 0.00 C ATOM 597 O LEU A 40 -0.582 6.659 -4.909 1.00 0.00 O ATOM 598 CB LEU A 40 1.612 8.499 -7.026 1.00 0.00 C ATOM 599 CG LEU A 40 2.101 9.457 -5.938 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.232 10.346 -6.458 1.00 0.00 C ATOM 601 CD2 LEU A 40 0.943 10.278 -5.369 1.00 0.00 C ATOM 0 H LEU A 40 0.960 6.508 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 40 1.763 6.858 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.427 8.336 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.807 8.986 -7.576 1.00 0.00 H new ATOM 0 HG LEU A 40 2.508 8.864 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.561 11.017 -5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.068 9.723 -6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.874 10.932 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.318 10.951 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.484 10.861 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.200 9.608 -4.936 1.00 0.00 H new ATOM 613 N ASP A 41 -1.205 7.760 -6.784 1.00 0.00 N ATOM 614 CA ASP A 41 -2.601 7.861 -6.394 1.00 0.00 C ATOM 615 C ASP A 41 -3.254 6.480 -6.491 1.00 0.00 C ATOM 616 O ASP A 41 -3.858 6.007 -5.530 1.00 0.00 O ATOM 617 CB ASP A 41 -3.364 8.811 -7.320 1.00 0.00 C ATOM 618 CG ASP A 41 -4.186 9.886 -6.607 1.00 0.00 C ATOM 619 OD1 ASP A 41 -3.613 10.532 -5.703 1.00 0.00 O ATOM 620 OD2 ASP A 41 -5.368 10.039 -6.982 1.00 0.00 O ATOM 0 H ASP A 41 -0.983 8.178 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.640 8.243 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.650 9.300 -7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.031 8.223 -7.950 1.00 0.00 H new ATOM 625 N ALA A 42 -3.110 5.874 -7.660 1.00 0.00 N ATOM 626 CA ALA A 42 -3.678 4.557 -7.895 1.00 0.00 C ATOM 627 C ALA A 42 -3.440 3.677 -6.667 1.00 0.00 C ATOM 628 O ALA A 42 -4.249 2.804 -6.358 1.00 0.00 O ATOM 629 CB ALA A 42 -3.073 3.959 -9.167 1.00 0.00 C ATOM 0 H ALA A 42 -2.608 6.270 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.755 4.626 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.499 2.971 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.296 4.607 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.993 3.873 -9.050 1.00 0.00 H new ATOM 635 N CYS A 43 -2.326 3.938 -5.999 1.00 0.00 N ATOM 636 CA CYS A 43 -1.971 3.180 -4.811 1.00 0.00 C ATOM 637 C CYS A 43 -2.708 3.787 -3.616 1.00 0.00 C ATOM 638 O CYS A 43 -3.391 3.078 -2.878 1.00 0.00 O ATOM 639 CB CYS A 43 -0.457 3.149 -4.591 1.00 0.00 C ATOM 640 SG CYS A 43 0.068 1.469 -4.090 1.00 0.00 S ATOM 0 H CYS A 43 -1.657 4.664 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.276 2.141 -4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.058 3.442 -5.506 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.178 3.870 -3.823 1.00 0.00 H new ATOM 0 HG CYS A 43 0.633 1.522 -2.920 1.00 0.00 H new ATOM 646 N CYS A 44 -2.546 5.093 -3.462 1.00 0.00 N ATOM 647 CA CYS A 44 -3.188 5.803 -2.369 1.00 0.00 C ATOM 648 C CYS A 44 -4.668 5.416 -2.348 1.00 0.00 C ATOM 649 O CYS A 44 -5.203 5.053 -1.301 1.00 0.00 O ATOM 650 CB CYS A 44 -2.996 7.317 -2.488 1.00 0.00 C ATOM 651 SG CYS A 44 -3.647 8.149 -0.994 1.00 0.00 S ATOM 0 H CYS A 44 -1.979 5.678 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.725 5.517 -1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.938 7.549 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.510 7.689 -3.374 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.076 7.652 0.063 1.00 0.00 H new ATOM 657 N ALA A 45 -5.287 5.506 -3.516 1.00 0.00 N ATOM 658 CA ALA A 45 -6.695 5.169 -3.644 1.00 0.00 C ATOM 659 C ALA A 45 -6.958 3.826 -2.959 1.00 0.00 C ATOM 660 O ALA A 45 -8.055 3.586 -2.457 1.00 0.00 O ATOM 661 CB ALA A 45 -7.083 5.155 -5.124 1.00 0.00 C ATOM 0 H ALA A 45 -4.840 5.807 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.316 5.917 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.139 4.902 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.904 6.140 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.483 4.413 -5.651 1.00 0.00 H new ATOM 667 N VAL A 46 -5.934 2.986 -2.962 1.00 0.00 N ATOM 668 CA VAL A 46 -6.041 1.674 -2.347 1.00 0.00 C ATOM 669 C VAL A 46 -5.566 1.756 -0.895 1.00 0.00 C ATOM 670 O VAL A 46 -6.313 1.428 0.025 1.00 0.00 O ATOM 671 CB VAL A 46 -5.266 0.645 -3.172 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.241 -0.715 -2.470 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.847 0.523 -4.583 1.00 0.00 C ATOM 0 H VAL A 46 -5.026 3.188 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.079 1.343 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.237 0.994 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.684 -1.428 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.760 -0.614 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.261 -1.073 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.278 -0.215 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.889 0.208 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.789 1.489 -5.085 1.00 0.00 H new ATOM 683 N LEU A 47 -4.326 2.194 -0.735 1.00 0.00 N ATOM 684 CA LEU A 47 -3.743 2.323 0.589 1.00 0.00 C ATOM 685 C LEU A 47 -4.768 2.952 1.535 1.00 0.00 C ATOM 686 O LEU A 47 -4.738 2.709 2.740 1.00 0.00 O ATOM 687 CB LEU A 47 -2.420 3.089 0.520 1.00 0.00 C ATOM 688 CG LEU A 47 -1.219 2.306 -0.014 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.189 3.245 -0.644 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.604 1.431 1.080 1.00 0.00 C ATOM 0 H LEU A 47 -3.709 2.464 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.496 1.341 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.564 3.968 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.179 3.449 1.520 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.569 1.638 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.654 2.663 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.648 3.787 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.162 3.955 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.248 0.885 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.271 2.061 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.350 0.723 1.442 1.00 0.00 H new ATOM 702 N SER A 48 -5.653 3.748 0.952 1.00 0.00 N ATOM 703 CA SER A 48 -6.686 4.413 1.727 1.00 0.00 C ATOM 704 C SER A 48 -7.726 3.394 2.197 1.00 0.00 C ATOM 705 O SER A 48 -8.099 3.378 3.369 1.00 0.00 O ATOM 706 CB SER A 48 -7.358 5.521 0.913 1.00 0.00 C ATOM 707 OG SER A 48 -8.699 5.755 1.335 1.00 0.00 O ATOM 0 H SER A 48 -5.676 3.947 -0.048 1.00 0.00 H new ATOM 0 HA SER A 48 -6.218 4.872 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.782 6.441 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.352 5.250 -0.143 1.00 0.00 H new ATOM 0 HG SER A 48 -9.093 6.470 0.792 1.00 0.00 H new ATOM 713 N GLN A 49 -8.165 2.569 1.258 1.00 0.00 N ATOM 714 CA GLN A 49 -9.155 1.549 1.561 1.00 0.00 C ATOM 715 C GLN A 49 -8.475 0.302 2.130 1.00 0.00 C ATOM 716 O GLN A 49 -9.146 -0.648 2.528 1.00 0.00 O ATOM 717 CB GLN A 49 -9.985 1.205 0.323 1.00 0.00 C ATOM 718 CG GLN A 49 -9.082 0.896 -0.873 1.00 0.00 C ATOM 719 CD GLN A 49 -9.810 0.024 -1.899 1.00 0.00 C ATOM 720 OE1 GLN A 49 -9.077 -0.978 -2.375 1.00 0.00 O flip ATOM 721 NE2 GLN A 49 -10.962 0.247 -2.235 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.853 2.586 0.287 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.836 1.944 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.621 0.346 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.645 2.038 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.763 1.827 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.181 0.386 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.468 1.034 -1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.419 -0.354 -2.921 1.00 0.00 H new ATOM 730 N GLU A 50 -7.151 0.346 2.149 1.00 0.00 N ATOM 731 CA GLU A 50 -6.373 -0.769 2.662 1.00 0.00 C ATOM 732 C GLU A 50 -6.065 -0.563 4.147 1.00 0.00 C ATOM 733 O GLU A 50 -6.450 -1.379 4.983 1.00 0.00 O ATOM 734 CB GLU A 50 -5.085 -0.956 1.856 1.00 0.00 C ATOM 735 CG GLU A 50 -5.148 -2.228 1.009 1.00 0.00 C ATOM 736 CD GLU A 50 -5.150 -3.476 1.895 1.00 0.00 C ATOM 737 OE1 GLU A 50 -6.255 -3.855 2.339 1.00 0.00 O ATOM 738 OE2 GLU A 50 -4.046 -4.023 2.107 1.00 0.00 O ATOM 0 H GLU A 50 -6.597 1.136 1.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.965 -1.678 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.927 -0.092 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.232 -1.008 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.046 -2.214 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.295 -2.260 0.331 1.00 0.00 H new ATOM 745 N SER A 51 -5.375 0.532 4.429 1.00 0.00 N ATOM 746 CA SER A 51 -5.011 0.855 5.798 1.00 0.00 C ATOM 747 C SER A 51 -6.180 0.547 6.736 1.00 0.00 C ATOM 748 O SER A 51 -6.024 -0.195 7.705 1.00 0.00 O ATOM 749 CB SER A 51 -4.601 2.323 5.927 1.00 0.00 C ATOM 750 OG SER A 51 -3.195 2.500 5.774 1.00 0.00 O ATOM 0 H SER A 51 -5.058 1.207 3.733 1.00 0.00 H new ATOM 0 HA SER A 51 -4.156 0.241 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.125 2.913 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.910 2.702 6.901 1.00 0.00 H new ATOM 0 HG SER A 51 -2.974 3.451 5.861 1.00 0.00 H new ATOM 756 N THR A 52 -7.325 1.132 6.416 1.00 0.00 N ATOM 757 CA THR A 52 -8.519 0.929 7.219 1.00 0.00 C ATOM 758 C THR A 52 -8.759 -0.564 7.450 1.00 0.00 C ATOM 759 O THR A 52 -9.061 -0.982 8.566 1.00 0.00 O ATOM 760 CB THR A 52 -9.684 1.631 6.518 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.400 3.018 6.676 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.012 1.436 7.253 1.00 0.00 C ATOM 0 H THR A 52 -7.451 1.747 5.612 1.00 0.00 H new ATOM 0 HA THR A 52 -8.407 1.365 8.212 1.00 0.00 H new ATOM 0 HB THR A 52 -9.774 1.255 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.106 3.547 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.805 1.954 6.714 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.245 0.373 7.308 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.933 1.842 8.261 1.00 0.00 H new ATOM 770 N ARG A 53 -8.614 -1.327 6.376 1.00 0.00 N ATOM 771 CA ARG A 53 -8.812 -2.765 6.447 1.00 0.00 C ATOM 772 C ARG A 53 -7.893 -3.374 7.509 1.00 0.00 C ATOM 773 O ARG A 53 -8.234 -4.383 8.124 1.00 0.00 O ATOM 774 CB ARG A 53 -8.530 -3.427 5.097 1.00 0.00 C ATOM 775 CG ARG A 53 -9.475 -4.606 4.857 1.00 0.00 C ATOM 776 CD ARG A 53 -9.273 -5.695 5.912 1.00 0.00 C ATOM 777 NE ARG A 53 -9.502 -7.029 5.312 1.00 0.00 N ATOM 778 CZ ARG A 53 -8.633 -7.647 4.500 1.00 0.00 C ATOM 779 NH1 ARG A 53 -7.473 -7.055 4.186 1.00 0.00 N ATOM 780 NH2 ARG A 53 -8.925 -8.856 4.003 1.00 0.00 N ATOM 0 H ARG A 53 -8.362 -0.976 5.452 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.853 -2.945 6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.646 -2.695 4.298 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.497 -3.772 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.508 -4.259 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.300 -5.020 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.263 -5.638 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.959 -5.539 6.744 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.376 -7.508 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.251 -6.134 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.811 -7.525 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.808 -9.306 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.264 -9.327 3.385 1.00 0.00 H new ATOM 794 N TYR A 54 -6.747 -2.736 7.690 1.00 0.00 N ATOM 795 CA TYR A 54 -5.777 -3.202 8.666 1.00 0.00 C ATOM 796 C TYR A 54 -5.939 -2.465 9.997 1.00 0.00 C ATOM 797 O TYR A 54 -5.560 -2.981 11.047 1.00 0.00 O ATOM 798 CB TYR A 54 -4.401 -2.878 8.082 1.00 0.00 C ATOM 799 CG TYR A 54 -3.932 -3.862 7.008 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.698 -4.066 5.878 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.744 -4.546 7.170 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.257 -4.993 4.868 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.304 -5.472 6.160 1.00 0.00 C ATOM 804 CZ TYR A 54 -3.082 -5.650 5.059 1.00 0.00 C ATOM 805 OH TYR A 54 -2.666 -6.525 4.104 1.00 0.00 O ATOM 0 H TYR A 54 -6.468 -1.900 7.177 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.909 -4.267 8.859 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.426 -1.875 7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.670 -2.862 8.890 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.627 -3.531 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.145 -4.386 8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.846 -5.163 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.377 -6.013 6.274 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.810 -6.920 4.373 1.00 0.00 H new ATOM 815 N LEU A 55 -6.504 -1.269 9.909 1.00 0.00 N ATOM 816 CA LEU A 55 -6.721 -0.456 11.093 1.00 0.00 C ATOM 817 C LEU A 55 -7.920 -1.003 11.870 1.00 0.00 C ATOM 818 O LEU A 55 -8.166 -0.599 13.005 1.00 0.00 O ATOM 819 CB LEU A 55 -6.858 1.020 10.712 1.00 0.00 C ATOM 820 CG LEU A 55 -5.686 1.924 11.100 1.00 0.00 C ATOM 821 CD1 LEU A 55 -5.934 3.366 10.652 1.00 0.00 C ATOM 822 CD2 LEU A 55 -5.395 1.831 12.599 1.00 0.00 C ATOM 0 H LEU A 55 -6.818 -0.844 9.036 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.858 -0.512 11.756 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.999 1.085 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.763 1.412 11.176 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.796 1.573 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.086 3.987 10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.054 3.395 9.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.839 3.744 11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.558 2.483 12.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.276 2.141 13.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.143 0.802 12.858 1.00 0.00 H new ATOM 834 N TYR A 56 -8.634 -1.916 11.227 1.00 0.00 N ATOM 835 CA TYR A 56 -9.802 -2.523 11.843 1.00 0.00 C ATOM 836 C TYR A 56 -10.034 -3.935 11.303 1.00 0.00 C ATOM 837 O TYR A 56 -10.864 -4.136 10.418 1.00 0.00 O ATOM 838 CB TYR A 56 -10.990 -1.640 11.457 1.00 0.00 C ATOM 839 CG TYR A 56 -10.915 -0.217 12.014 1.00 0.00 C ATOM 840 CD1 TYR A 56 -11.401 0.057 13.276 1.00 0.00 C ATOM 841 CD2 TYR A 56 -10.360 0.793 11.255 1.00 0.00 C ATOM 842 CE1 TYR A 56 -11.330 1.396 13.800 1.00 0.00 C ATOM 843 CE2 TYR A 56 -10.289 2.132 11.779 1.00 0.00 C ATOM 844 CZ TYR A 56 -10.777 2.368 13.026 1.00 0.00 C ATOM 845 OH TYR A 56 -10.710 3.633 13.521 1.00 0.00 O ATOM 0 H TYR A 56 -8.426 -2.250 10.286 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.671 -2.598 12.923 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.055 -1.591 10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -11.908 -2.109 11.810 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.835 -0.733 13.871 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.979 0.579 10.267 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.708 1.624 14.786 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.858 2.931 11.195 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.290 4.221 12.859 1.00 0.00 H new ATOM 855 N GLY A 57 -9.287 -4.878 11.859 1.00 0.00 N ATOM 856 CA GLY A 57 -9.401 -6.265 11.444 1.00 0.00 C ATOM 857 C GLY A 57 -10.847 -6.754 11.557 1.00 0.00 C ATOM 858 O GLY A 57 -11.465 -7.110 10.555 1.00 0.00 O ATOM 0 H GLY A 57 -8.600 -4.708 12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.057 -6.370 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.753 -6.888 12.061 1.00 0.00 H new ATOM 862 N GLU A 58 -11.344 -6.755 12.785 1.00 0.00 N ATOM 863 CA GLU A 58 -12.705 -7.194 13.042 1.00 0.00 C ATOM 864 C GLU A 58 -13.643 -6.680 11.948 1.00 0.00 C ATOM 865 O GLU A 58 -13.871 -5.476 11.835 1.00 0.00 O ATOM 866 CB GLU A 58 -13.175 -6.740 14.425 1.00 0.00 C ATOM 867 CG GLU A 58 -12.536 -7.588 15.527 1.00 0.00 C ATOM 868 CD GLU A 58 -12.584 -6.864 16.874 1.00 0.00 C ATOM 869 OE1 GLU A 58 -13.709 -6.505 17.285 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.496 -6.685 17.462 1.00 0.00 O ATOM 0 H GLU A 58 -10.828 -6.459 13.614 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.724 -8.284 13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.919 -5.691 14.574 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.261 -6.815 14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.057 -8.542 15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.501 -7.810 15.266 1.00 0.00 H new ATOM 877 N GLY A 59 -14.162 -7.618 11.170 1.00 0.00 N ATOM 878 CA GLY A 59 -15.071 -7.275 10.089 1.00 0.00 C ATOM 879 C GLY A 59 -16.339 -6.611 10.628 1.00 0.00 C ATOM 880 O GLY A 59 -16.670 -5.491 10.241 1.00 0.00 O ATOM 0 H GLY A 59 -13.971 -8.615 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.573 -6.603 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.336 -8.174 9.533 1.00 0.00 H new ATOM 884 N ASP A 60 -17.014 -7.328 11.514 1.00 0.00 N ATOM 885 CA ASP A 60 -18.238 -6.822 12.110 1.00 0.00 C ATOM 886 C ASP A 60 -19.272 -6.575 11.010 1.00 0.00 C ATOM 887 O ASP A 60 -18.974 -6.731 9.827 1.00 0.00 O ATOM 888 CB ASP A 60 -17.991 -5.497 12.834 1.00 0.00 C ATOM 889 CG ASP A 60 -18.620 -5.392 14.225 1.00 0.00 C ATOM 890 OD1 ASP A 60 -18.405 -6.335 15.017 1.00 0.00 O ATOM 891 OD2 ASP A 60 -19.301 -4.372 14.464 1.00 0.00 O ATOM 0 H ASP A 60 -16.736 -8.256 11.834 1.00 0.00 H new ATOM 0 HA ASP A 60 -18.596 -7.562 12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.915 -5.346 12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.375 -4.686 12.216 1.00 0.00 H new ATOM 896 N LEU A 61 -20.466 -6.193 11.439 1.00 0.00 N ATOM 897 CA LEU A 61 -21.546 -5.923 10.506 1.00 0.00 C ATOM 898 C LEU A 61 -21.087 -4.872 9.492 1.00 0.00 C ATOM 899 O LEU A 61 -20.314 -5.176 8.585 1.00 0.00 O ATOM 900 CB LEU A 61 -22.821 -5.536 11.258 1.00 0.00 C ATOM 901 CG LEU A 61 -23.455 -6.634 12.113 1.00 0.00 C ATOM 902 CD1 LEU A 61 -24.112 -6.046 13.363 1.00 0.00 C ATOM 903 CD2 LEU A 61 -24.435 -7.473 11.290 1.00 0.00 C ATOM 0 H LEU A 61 -20.709 -6.064 12.421 1.00 0.00 H new ATOM 0 HA LEU A 61 -21.797 -6.822 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -22.595 -4.686 11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -23.559 -5.197 10.531 1.00 0.00 H new ATOM 0 HG LEU A 61 -22.664 -7.303 12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -24.555 -6.848 13.953 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -23.361 -5.529 13.960 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -24.889 -5.341 13.068 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.872 -8.246 11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.226 -6.832 10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -23.906 -7.939 10.459 1.00 0.00 H new ATOM 915 N ASN A 62 -21.582 -3.658 9.681 1.00 0.00 N ATOM 916 CA ASN A 62 -21.233 -2.561 8.795 1.00 0.00 C ATOM 917 C ASN A 62 -21.222 -1.253 9.588 1.00 0.00 C ATOM 918 O ASN A 62 -22.181 -0.943 10.294 1.00 0.00 O ATOM 919 CB ASN A 62 -22.253 -2.420 7.664 1.00 0.00 C ATOM 920 CG ASN A 62 -23.666 -2.234 8.221 1.00 0.00 C ATOM 921 OD1 ASN A 62 -24.180 -1.133 8.325 1.00 0.00 O ATOM 922 ND2 ASN A 62 -24.263 -3.370 8.571 1.00 0.00 N ATOM 0 H ASN A 62 -22.222 -3.410 10.435 1.00 0.00 H new ATOM 0 HA ASN A 62 -20.251 -2.771 8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -21.990 -1.568 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -22.222 -3.305 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -25.209 -3.353 8.953 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -23.775 -4.259 8.457 1.00 0.00 H new ATOM 929 N PHE A 63 -20.127 -0.521 9.447 1.00 0.00 N ATOM 930 CA PHE A 63 -19.980 0.747 10.142 1.00 0.00 C ATOM 931 C PHE A 63 -19.120 1.719 9.332 1.00 0.00 C ATOM 932 O PHE A 63 -17.893 1.687 9.414 1.00 0.00 O ATOM 933 CB PHE A 63 -19.279 0.450 11.469 1.00 0.00 C ATOM 934 CG PHE A 63 -19.908 1.151 12.675 1.00 0.00 C ATOM 935 CD1 PHE A 63 -21.163 0.817 13.078 1.00 0.00 C ATOM 936 CD2 PHE A 63 -19.211 2.109 13.344 1.00 0.00 C ATOM 937 CE1 PHE A 63 -21.746 1.467 14.197 1.00 0.00 C ATOM 938 CE2 PHE A 63 -19.795 2.760 14.463 1.00 0.00 C ATOM 939 CZ PHE A 63 -21.050 2.425 14.866 1.00 0.00 C ATOM 0 H PHE A 63 -19.333 -0.781 8.862 1.00 0.00 H new ATOM 0 HA PHE A 63 -20.958 1.206 10.291 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -19.290 -0.626 11.641 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -18.234 0.750 11.391 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -21.716 0.057 12.546 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -18.214 2.374 13.024 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -22.742 1.201 14.517 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -19.242 3.521 14.994 1.00 0.00 H new ATOM 0 HZ PHE A 63 -21.494 2.920 15.717 1.00 0.00 H new ATOM 949 N SER A 64 -19.798 2.562 8.567 1.00 0.00 N ATOM 950 CA SER A 64 -19.113 3.542 7.742 1.00 0.00 C ATOM 951 C SER A 64 -20.117 4.555 7.188 1.00 0.00 C ATOM 952 O SER A 64 -21.303 4.253 7.062 1.00 0.00 O ATOM 953 CB SER A 64 -18.354 2.866 6.598 1.00 0.00 C ATOM 954 OG SER A 64 -17.918 3.805 5.619 1.00 0.00 O ATOM 0 H SER A 64 -20.816 2.586 8.501 1.00 0.00 H new ATOM 0 HA SER A 64 -18.387 4.064 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 64 -17.492 2.334 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 64 -18.996 2.122 6.126 1.00 0.00 H new ATOM 0 HG SER A 64 -17.437 3.335 4.906 1.00 0.00 H new ATOM 960 N ASP A 65 -19.605 5.735 6.871 1.00 0.00 N ATOM 961 CA ASP A 65 -20.443 6.794 6.333 1.00 0.00 C ATOM 962 C ASP A 65 -20.262 6.859 4.815 1.00 0.00 C ATOM 963 O ASP A 65 -19.169 6.617 4.305 1.00 0.00 O ATOM 964 CB ASP A 65 -20.053 8.154 6.915 1.00 0.00 C ATOM 965 CG ASP A 65 -18.550 8.437 6.946 1.00 0.00 C ATOM 966 OD1 ASP A 65 -18.037 8.897 5.904 1.00 0.00 O ATOM 967 OD2 ASP A 65 -17.948 8.187 8.013 1.00 0.00 O ATOM 0 H ASP A 65 -18.621 5.981 6.976 1.00 0.00 H new ATOM 0 HA ASP A 65 -21.477 6.573 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.543 8.935 6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.441 8.222 7.931 1.00 0.00 H new ATOM 972 N ASP A 66 -21.351 7.188 4.135 1.00 0.00 N ATOM 973 CA ASP A 66 -21.326 7.289 2.686 1.00 0.00 C ATOM 974 C ASP A 66 -20.898 8.702 2.284 1.00 0.00 C ATOM 975 O ASP A 66 -21.614 9.668 2.544 1.00 0.00 O ATOM 976 CB ASP A 66 -22.711 7.027 2.091 1.00 0.00 C ATOM 977 CG ASP A 66 -23.874 7.658 2.860 1.00 0.00 C ATOM 978 OD1 ASP A 66 -23.999 7.339 4.062 1.00 0.00 O ATOM 979 OD2 ASP A 66 -24.611 8.445 2.228 1.00 0.00 O ATOM 0 H ASP A 66 -22.256 7.388 4.561 1.00 0.00 H new ATOM 0 HA ASP A 66 -20.625 6.544 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -22.727 7.400 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -22.870 5.950 2.040 1.00 0.00 H new ATOM 984 N SER A 67 -19.733 8.778 1.658 1.00 0.00 N ATOM 985 CA SER A 67 -19.201 10.056 1.218 1.00 0.00 C ATOM 986 C SER A 67 -19.191 10.121 -0.311 1.00 0.00 C ATOM 987 O SER A 67 -19.804 11.008 -0.902 1.00 0.00 O ATOM 988 CB SER A 67 -17.793 10.286 1.768 1.00 0.00 C ATOM 989 OG SER A 67 -17.725 10.059 3.174 1.00 0.00 O ATOM 0 H SER A 67 -19.142 7.974 1.445 1.00 0.00 H new ATOM 0 HA SER A 67 -19.846 10.845 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.093 9.624 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.481 11.307 1.550 1.00 0.00 H new ATOM 0 HG SER A 67 -16.809 10.215 3.487 1.00 0.00 H new ATOM 995 N GLY A 68 -18.488 9.169 -0.907 1.00 0.00 N ATOM 996 CA GLY A 68 -18.390 9.106 -2.355 1.00 0.00 C ATOM 997 C GLY A 68 -17.749 7.792 -2.805 1.00 0.00 C ATOM 998 O GLY A 68 -16.982 7.184 -2.060 1.00 0.00 O ATOM 0 H GLY A 68 -17.981 8.435 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -19.383 9.199 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.800 9.946 -2.720 1.00 0.00 H new ATOM 1002 N ILE A 69 -18.088 7.391 -4.021 1.00 0.00 N ATOM 1003 CA ILE A 69 -17.556 6.160 -4.579 1.00 0.00 C ATOM 1004 C ILE A 69 -16.311 6.477 -5.410 1.00 0.00 C ATOM 1005 O ILE A 69 -16.134 7.607 -5.863 1.00 0.00 O ATOM 1006 CB ILE A 69 -18.640 5.412 -5.358 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -18.235 3.957 -5.603 1.00 0.00 C ATOM 1008 CG2 ILE A 69 -18.981 6.139 -6.660 1.00 0.00 C ATOM 1009 CD1 ILE A 69 -19.444 3.025 -5.498 1.00 0.00 C ATOM 0 H ILE A 69 -18.725 7.897 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 69 -17.245 5.485 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 69 -19.546 5.396 -4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -17.784 3.863 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -17.478 3.660 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -19.754 5.586 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -19.343 7.142 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.089 6.208 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.128 1.997 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -19.878 3.103 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.189 3.310 -6.241 1.00 0.00 H new ATOM 1021 N SER A 70 -15.480 5.460 -5.585 1.00 0.00 N ATOM 1022 CA SER A 70 -14.257 5.617 -6.353 1.00 0.00 C ATOM 1023 C SER A 70 -14.200 4.569 -7.466 1.00 0.00 C ATOM 1024 O SER A 70 -14.987 3.624 -7.475 1.00 0.00 O ATOM 1025 CB SER A 70 -13.024 5.504 -5.454 1.00 0.00 C ATOM 1026 OG SER A 70 -12.768 6.713 -4.744 1.00 0.00 O ATOM 0 H SER A 70 -15.630 4.524 -5.208 1.00 0.00 H new ATOM 0 HA SER A 70 -14.258 6.612 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.167 4.690 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.155 5.249 -6.061 1.00 0.00 H new ATOM 0 HG SER A 70 -11.974 6.600 -4.180 1.00 0.00 H new ATOM 1032 N GLY A 71 -13.261 4.771 -8.378 1.00 0.00 N ATOM 1033 CA GLY A 71 -13.091 3.855 -9.494 1.00 0.00 C ATOM 1034 C GLY A 71 -11.699 3.220 -9.474 1.00 0.00 C ATOM 1035 O GLY A 71 -10.771 3.768 -8.882 1.00 0.00 O ATOM 0 H GLY A 71 -12.609 5.556 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.851 3.075 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.238 4.389 -10.433 1.00 0.00 H new ATOM 1039 N PRO A 72 -11.596 2.042 -10.146 1.00 0.00 N ATOM 1040 CA PRO A 72 -10.333 1.326 -10.211 1.00 0.00 C ATOM 1041 C PRO A 72 -9.367 2.005 -11.184 1.00 0.00 C ATOM 1042 O PRO A 72 -8.225 2.292 -10.831 1.00 0.00 O ATOM 1043 CB PRO A 72 -10.704 -0.087 -10.631 1.00 0.00 C ATOM 1044 CG PRO A 72 -12.096 0.008 -11.234 1.00 0.00 C ATOM 1045 CD PRO A 72 -12.674 1.363 -10.858 1.00 0.00 C ATOM 0 HA PRO A 72 -9.804 1.318 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.990 -0.479 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.694 -0.764 -9.776 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.051 -0.101 -12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.730 -0.795 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.978 1.923 -11.742 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.558 1.256 -10.229 1.00 0.00 H new ATOM 1053 N SER A 73 -9.862 2.241 -12.390 1.00 0.00 N ATOM 1054 CA SER A 73 -9.057 2.882 -13.417 1.00 0.00 C ATOM 1055 C SER A 73 -7.811 2.041 -13.704 1.00 0.00 C ATOM 1056 O SER A 73 -6.822 2.123 -12.978 1.00 0.00 O ATOM 1057 CB SER A 73 -8.657 4.298 -12.999 1.00 0.00 C ATOM 1058 OG SER A 73 -9.361 5.292 -13.740 1.00 0.00 O ATOM 0 H SER A 73 -10.810 2.000 -12.679 1.00 0.00 H new ATOM 0 HA SER A 73 -9.655 2.956 -14.325 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.854 4.431 -11.935 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.585 4.430 -13.144 1.00 0.00 H new ATOM 0 HG SER A 73 -9.079 6.182 -13.443 1.00 0.00 H new ATOM 1064 N SER A 74 -7.900 1.253 -14.765 1.00 0.00 N ATOM 1065 CA SER A 74 -6.792 0.398 -15.158 1.00 0.00 C ATOM 1066 C SER A 74 -6.997 -0.099 -16.590 1.00 0.00 C ATOM 1067 O SER A 74 -7.928 -0.856 -16.861 1.00 0.00 O ATOM 1068 CB SER A 74 -6.644 -0.786 -14.200 1.00 0.00 C ATOM 1069 OG SER A 74 -5.975 -0.420 -12.997 1.00 0.00 O ATOM 0 H SER A 74 -8.722 1.188 -15.365 1.00 0.00 H new ATOM 0 HA SER A 74 -5.874 0.984 -15.112 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.630 -1.183 -13.960 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.090 -1.585 -14.694 1.00 0.00 H new ATOM 0 HG SER A 74 -5.954 0.557 -12.919 1.00 0.00 H new ATOM 1075 N GLY A 75 -6.112 0.346 -17.469 1.00 0.00 N ATOM 1076 CA GLY A 75 -6.183 -0.045 -18.867 1.00 0.00 C ATOM 1077 C GLY A 75 -6.102 -1.565 -19.016 1.00 0.00 C ATOM 1078 O GLY A 75 -6.761 -2.144 -19.878 1.00 0.00 O ATOM 0 H GLY A 75 -5.341 0.974 -17.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.114 0.318 -19.303 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.369 0.422 -19.421 1.00 0.00 H new TER 1082 GLY A 75