USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -3.51! K(o=-6.7!,f=-4.2) USER MOD Set 1.2: A 44 ASN : amide:sc= -3.15! C(o=-6.7!,f=-7.7!) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= -0.0354 USER MOD Set 2.2: A 128 GLN : amide:sc= -0.0449 K(o=-0.08,f=1.5) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0596) USER MOD Single : A 12 THR OG1 : rot -76:sc= -0.644 USER MOD Single : A 14 ASN : amide:sc=-0.00325 X(o=-0.0033,f=-0.0033) USER MOD Single : A 19 SER OG : rot -170:sc= -1.03 USER MOD Single : A 20 MET CE :methyl -153:sc= -2.13 (180deg=-4.01!) USER MOD Single : A 22 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.56) USER MOD Single : A 25 ASN : amide:sc= -0.973 K(o=-0.97,f=-2.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -155:sc=8.07e-05 (180deg=-0.042) USER MOD Single : A 46 TYR OH : rot 69:sc= -3.99! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -3.57! C(o=-3.6!,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 54 GLN : amide:sc= -0.0775 K(o=-0.077,f=-2.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.563 K(o=-0.56,f=-3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.21) USER MOD Single : A 68 TYR OH : rot 62:sc= 0.987 USER MOD Single : A 73 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.45) USER MOD Single : A 76 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.0007) USER MOD Single : A 81 ASN : amide:sc= 0.0318 K(o=0.032,f=-2.8!) USER MOD Single : A 82 GLN : amide:sc= -2.28 K(o=-2.3,f=-7.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -147:sc= 0.267 USER MOD Single : A 89 ASN : amide:sc= -1.26! C(o=-1.3!,f=-1.8!) USER MOD Single : A 93 SER OG : rot -83:sc= 0.228 USER MOD Single : A 94 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 99 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.5!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -91:sc= 0.927 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.216 13.422 -5.049 1.00 0.00 N ATOM 67 CA VAL A 8 -8.973 12.661 -5.099 1.00 0.00 C ATOM 68 C VAL A 8 -8.884 11.837 -6.378 1.00 0.00 C ATOM 69 O VAL A 8 -9.874 11.257 -6.827 1.00 0.00 O ATOM 70 CB VAL A 8 -8.842 11.721 -3.885 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.039 10.786 -3.802 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.543 10.932 -3.961 1.00 0.00 C ATOM 0 HA VAL A 8 -8.158 13.384 -5.079 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.821 12.326 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.929 10.130 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.952 11.372 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.095 10.185 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.466 10.273 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.532 10.336 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.699 11.621 -3.968 1.00 0.00 H new ATOM 82 N LYS A 9 -7.692 11.787 -6.962 1.00 0.00 N ATOM 83 CA LYS A 9 -7.471 11.032 -8.190 1.00 0.00 C ATOM 84 C LYS A 9 -7.108 9.584 -7.880 1.00 0.00 C ATOM 85 O LYS A 9 -6.564 9.283 -6.817 1.00 0.00 O ATOM 86 CB LYS A 9 -6.360 11.681 -9.019 1.00 0.00 C ATOM 87 CG LYS A 9 -6.831 12.866 -9.845 1.00 0.00 C ATOM 88 CD LYS A 9 -5.870 13.171 -10.981 1.00 0.00 C ATOM 89 CE LYS A 9 -6.173 12.328 -12.210 1.00 0.00 C ATOM 90 NZ LYS A 9 -7.380 12.817 -12.933 1.00 0.00 N ATOM 0 H LYS A 9 -6.863 12.261 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.397 11.041 -8.764 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.563 12.008 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.930 10.932 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.821 12.657 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.928 13.742 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.934 14.228 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.847 12.984 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.315 12.344 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.324 11.291 -11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.439 12.355 -13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.231 12.591 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.314 13.847 -13.062 1.00 0.00 H new ATOM 104 N PHE A 10 -7.410 8.689 -8.815 1.00 0.00 N ATOM 105 CA PHE A 10 -7.115 7.272 -8.642 1.00 0.00 C ATOM 106 C PHE A 10 -5.928 6.854 -9.504 1.00 0.00 C ATOM 107 O PHE A 10 -5.595 7.518 -10.487 1.00 0.00 O ATOM 108 CB PHE A 10 -8.340 6.427 -8.997 1.00 0.00 C ATOM 109 CG PHE A 10 -9.535 6.711 -8.132 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.469 6.539 -6.758 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.724 7.150 -8.692 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.567 6.798 -5.961 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.825 7.412 -7.899 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.746 7.237 -6.531 1.00 0.00 C ATOM 0 H PHE A 10 -7.859 8.921 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.858 7.106 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.605 6.606 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.081 5.372 -8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.549 6.199 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.791 7.289 -9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.504 6.657 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.746 7.753 -8.348 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.604 7.443 -5.909 1.00 0.00 H new ATOM 124 N LEU A 11 -5.292 5.750 -9.130 1.00 0.00 N ATOM 125 CA LEU A 11 -4.141 5.242 -9.868 1.00 0.00 C ATOM 126 C LEU A 11 -3.156 6.364 -10.180 1.00 0.00 C ATOM 127 O LEU A 11 -2.554 6.397 -11.254 1.00 0.00 O ATOM 128 CB LEU A 11 -4.597 4.573 -11.166 1.00 0.00 C ATOM 129 CG LEU A 11 -5.304 3.226 -11.015 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.967 2.821 -12.322 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.322 2.156 -10.559 1.00 0.00 C ATOM 0 H LEU A 11 -5.554 5.189 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.637 4.504 -9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.268 5.256 -11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.725 4.433 -11.805 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.079 3.328 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.465 1.860 -12.195 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.701 3.575 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.211 2.737 -13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.843 1.204 -10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.525 2.056 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.894 2.441 -9.598 1.00 0.00 H new ATOM 143 N THR A 12 -2.993 7.282 -9.232 1.00 0.00 N ATOM 144 CA THR A 12 -2.081 8.405 -9.405 1.00 0.00 C ATOM 145 C THR A 12 -1.353 8.727 -8.104 1.00 0.00 C ATOM 146 O THR A 12 -1.964 8.782 -7.037 1.00 0.00 O ATOM 147 CB THR A 12 -2.824 9.664 -9.889 1.00 0.00 C ATOM 148 OG1 THR A 12 -3.946 9.928 -9.040 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.298 9.494 -11.325 1.00 0.00 C ATOM 0 H THR A 12 -3.481 7.269 -8.336 1.00 0.00 H new ATOM 0 HA THR A 12 -1.355 8.108 -10.162 1.00 0.00 H new ATOM 0 HB THR A 12 -2.132 10.505 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.673 9.307 -9.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.820 10.396 -11.645 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.439 9.322 -11.974 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.975 8.642 -11.386 1.00 0.00 H new ATOM 157 N VAL A 13 -0.045 8.941 -8.201 1.00 0.00 N ATOM 158 CA VAL A 13 0.766 9.259 -7.031 1.00 0.00 C ATOM 159 C VAL A 13 0.467 10.665 -6.522 1.00 0.00 C ATOM 160 O VAL A 13 0.773 11.655 -7.186 1.00 0.00 O ATOM 161 CB VAL A 13 2.270 9.148 -7.344 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.098 9.497 -6.117 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.607 7.751 -7.845 1.00 0.00 C ATOM 0 H VAL A 13 0.476 8.900 -9.077 1.00 0.00 H new ATOM 0 HA VAL A 13 0.508 8.533 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 13 2.514 9.861 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.158 9.413 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.876 10.518 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.854 8.810 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.674 7.690 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.349 7.018 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.040 7.543 -8.752 1.00 0.00 H new ATOM 173 N ASN A 14 -0.132 10.744 -5.338 1.00 0.00 N ATOM 174 CA ASN A 14 -0.473 12.030 -4.739 1.00 0.00 C ATOM 175 C ASN A 14 0.705 12.591 -3.949 1.00 0.00 C ATOM 176 O ASN A 14 1.160 11.985 -2.979 1.00 0.00 O ATOM 177 CB ASN A 14 -1.691 11.883 -3.825 1.00 0.00 C ATOM 178 CG ASN A 14 -2.751 10.973 -4.415 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.336 11.276 -5.455 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.002 9.849 -3.752 1.00 0.00 N ATOM 0 H ASN A 14 -0.391 9.934 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.712 12.726 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.372 11.487 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.123 12.866 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.704 9.197 -4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.493 9.639 -2.894 1.00 0.00 H new ATOM 187 N ASP A 15 1.194 13.752 -4.371 1.00 0.00 N ATOM 188 CA ASP A 15 2.318 14.397 -3.702 1.00 0.00 C ATOM 189 C ASP A 15 2.158 14.332 -2.186 1.00 0.00 C ATOM 190 O ASP A 15 3.058 13.884 -1.475 1.00 0.00 O ATOM 191 CB ASP A 15 2.440 15.853 -4.153 1.00 0.00 C ATOM 192 CG ASP A 15 2.821 15.976 -5.615 1.00 0.00 C ATOM 193 OD1 ASP A 15 3.998 15.719 -5.946 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.942 16.328 -6.429 1.00 0.00 O ATOM 0 H ASP A 15 0.830 14.266 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 15 3.228 13.863 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.492 16.364 -3.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.188 16.358 -3.542 1.00 0.00 H new ATOM 199 N ASP A 16 1.008 14.784 -1.698 1.00 0.00 N ATOM 200 CA ASP A 16 0.730 14.778 -0.267 1.00 0.00 C ATOM 201 C ASP A 16 1.282 13.516 0.389 1.00 0.00 C ATOM 202 O ASP A 16 0.702 12.437 0.267 1.00 0.00 O ATOM 203 CB ASP A 16 -0.776 14.880 -0.017 1.00 0.00 C ATOM 204 CG ASP A 16 -1.274 16.311 -0.059 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.014 17.001 -1.068 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.924 16.741 0.916 1.00 0.00 O ATOM 0 H ASP A 16 0.253 15.159 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 16 1.224 15.643 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.306 14.292 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.010 14.445 0.955 1.00 0.00 H new ATOM 211 N ILE A 17 2.406 13.660 1.083 1.00 0.00 N ATOM 212 CA ILE A 17 3.036 12.531 1.758 1.00 0.00 C ATOM 213 C ILE A 17 2.315 12.197 3.059 1.00 0.00 C ATOM 214 O ILE A 17 2.021 13.081 3.864 1.00 0.00 O ATOM 215 CB ILE A 17 4.519 12.815 2.063 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.652 14.056 2.948 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.301 12.993 0.771 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.085 14.422 3.265 1.00 0.00 C ATOM 0 H ILE A 17 2.899 14.546 1.193 1.00 0.00 H new ATOM 0 HA ILE A 17 2.969 11.680 1.080 1.00 0.00 H new ATOM 0 HB ILE A 17 4.933 11.962 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.172 14.899 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.114 13.886 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.347 13.193 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.229 12.084 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.888 13.830 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.103 15.311 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.564 13.595 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.622 14.624 2.338 1.00 0.00 H new ATOM 230 N LEU A 18 2.036 10.914 3.261 1.00 0.00 N ATOM 231 CA LEU A 18 1.351 10.461 4.467 1.00 0.00 C ATOM 232 C LEU A 18 1.795 9.052 4.848 1.00 0.00 C ATOM 233 O LEU A 18 2.008 8.202 3.984 1.00 0.00 O ATOM 234 CB LEU A 18 -0.164 10.491 4.258 1.00 0.00 C ATOM 235 CG LEU A 18 -0.811 11.876 4.232 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.304 11.763 3.968 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.552 12.611 5.539 1.00 0.00 C ATOM 0 H LEU A 18 2.273 10.169 2.606 1.00 0.00 H new ATOM 0 HA LEU A 18 1.613 11.138 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.391 9.988 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.632 9.908 5.052 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.362 12.450 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.747 12.759 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.468 11.279 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.769 11.171 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.020 13.595 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.972 12.040 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.522 12.725 5.685 1.00 0.00 H new ATOM 249 N SER A 19 1.931 8.812 6.149 1.00 0.00 N ATOM 250 CA SER A 19 2.352 7.507 6.645 1.00 0.00 C ATOM 251 C SER A 19 1.399 6.413 6.172 1.00 0.00 C ATOM 252 O SER A 19 0.257 6.686 5.805 1.00 0.00 O ATOM 253 CB SER A 19 2.417 7.516 8.174 1.00 0.00 C ATOM 254 OG SER A 19 1.122 7.626 8.739 1.00 0.00 O ATOM 0 H SER A 19 1.756 9.504 6.878 1.00 0.00 H new ATOM 0 HA SER A 19 3.345 7.297 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.894 6.602 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.036 8.348 8.510 1.00 0.00 H new ATOM 0 HG SER A 19 1.198 7.788 9.703 1.00 0.00 H new ATOM 260 N MET A 20 1.879 5.174 6.184 1.00 0.00 N ATOM 261 CA MET A 20 1.070 4.038 5.757 1.00 0.00 C ATOM 262 C MET A 20 -0.296 4.058 6.435 1.00 0.00 C ATOM 263 O MET A 20 -1.338 3.964 5.787 1.00 0.00 O ATOM 264 CB MET A 20 1.790 2.725 6.073 1.00 0.00 C ATOM 265 CG MET A 20 1.554 1.638 5.036 1.00 0.00 C ATOM 266 SD MET A 20 0.125 0.609 5.423 1.00 0.00 S ATOM 267 CE MET A 20 -0.341 0.048 3.787 1.00 0.00 C ATOM 0 H MET A 20 2.823 4.931 6.484 1.00 0.00 H new ATOM 0 HA MET A 20 0.922 4.113 4.680 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.860 2.916 6.150 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.460 2.364 7.047 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.411 2.098 4.058 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.442 1.009 4.966 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.408 -0.172 3.768 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.118 0.827 3.058 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.220 -0.853 3.538 1.00 0.00 H new ATOM 277 N PRO A 21 -0.293 4.182 7.770 1.00 0.00 N ATOM 278 CA PRO A 21 -1.525 4.218 8.564 1.00 0.00 C ATOM 279 C PRO A 21 -2.318 5.502 8.348 1.00 0.00 C ATOM 280 O PRO A 21 -3.404 5.671 8.900 1.00 0.00 O ATOM 281 CB PRO A 21 -1.019 4.138 10.007 1.00 0.00 C ATOM 282 CG PRO A 21 0.365 4.686 9.954 1.00 0.00 C ATOM 283 CD PRO A 21 0.912 4.299 8.608 1.00 0.00 C ATOM 0 HA PRO A 21 -2.209 3.414 8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.649 4.719 10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.024 3.111 10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.361 5.769 10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.978 4.276 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.598 5.052 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.463 3.359 8.653 1.00 0.00 H new ATOM 291 N GLN A 22 -1.766 6.404 7.542 1.00 0.00 N ATOM 292 CA GLN A 22 -2.423 7.673 7.254 1.00 0.00 C ATOM 293 C GLN A 22 -2.932 7.709 5.817 1.00 0.00 C ATOM 294 O GLN A 22 -3.938 8.352 5.520 1.00 0.00 O ATOM 295 CB GLN A 22 -1.459 8.836 7.494 1.00 0.00 C ATOM 296 CG GLN A 22 -1.295 9.197 8.962 1.00 0.00 C ATOM 297 CD GLN A 22 -2.561 9.772 9.567 1.00 0.00 C ATOM 298 OE1 GLN A 22 -3.419 9.036 10.055 1.00 0.00 O ATOM 299 NE2 GLN A 22 -2.683 11.093 9.538 1.00 0.00 N ATOM 0 H GLN A 22 -0.866 6.279 7.078 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.276 7.772 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.484 8.580 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.816 9.711 6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.002 8.308 9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.486 9.920 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.947 11.664 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.513 11.537 9.930 1.00 0.00 H new ATOM 308 N ALA A 23 -2.231 7.013 4.928 1.00 0.00 N ATOM 309 CA ALA A 23 -2.613 6.964 3.522 1.00 0.00 C ATOM 310 C ALA A 23 -3.840 6.082 3.318 1.00 0.00 C ATOM 311 O ALA A 23 -4.897 6.559 2.903 1.00 0.00 O ATOM 312 CB ALA A 23 -1.452 6.461 2.677 1.00 0.00 C ATOM 0 H ALA A 23 -1.395 6.475 5.157 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.868 7.975 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.751 6.429 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.601 7.133 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.171 5.460 3.004 1.00 0.00 H new ATOM 318 N ARG A 24 -3.693 4.794 3.611 1.00 0.00 N ATOM 319 CA ARG A 24 -4.789 3.845 3.457 1.00 0.00 C ATOM 320 C ARG A 24 -6.047 4.350 4.158 1.00 0.00 C ATOM 321 O ARG A 24 -7.164 4.079 3.719 1.00 0.00 O ATOM 322 CB ARG A 24 -4.392 2.479 4.019 1.00 0.00 C ATOM 323 CG ARG A 24 -4.156 2.484 5.521 1.00 0.00 C ATOM 324 CD ARG A 24 -3.473 1.206 5.981 1.00 0.00 C ATOM 325 NE ARG A 24 -4.347 0.042 5.856 1.00 0.00 N ATOM 326 CZ ARG A 24 -5.255 -0.296 6.764 1.00 0.00 C ATOM 327 NH1 ARG A 24 -5.408 0.436 7.859 1.00 0.00 N ATOM 328 NH2 ARG A 24 -6.013 -1.370 6.579 1.00 0.00 N ATOM 0 H ARG A 24 -2.825 4.384 3.956 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.002 3.744 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.175 1.758 3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.485 2.139 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.542 3.343 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.108 2.596 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.570 1.046 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.161 1.315 7.020 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.255 -0.543 5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.827 1.262 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.106 0.174 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.898 -1.937 5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.710 -1.629 7.277 1.00 0.00 H new ATOM 342 N ASN A 25 -5.856 5.084 5.249 1.00 0.00 N ATOM 343 CA ASN A 25 -6.976 5.625 6.011 1.00 0.00 C ATOM 344 C ASN A 25 -7.660 6.754 5.246 1.00 0.00 C ATOM 345 O ASN A 25 -8.880 6.908 5.304 1.00 0.00 O ATOM 346 CB ASN A 25 -6.494 6.135 7.371 1.00 0.00 C ATOM 347 CG ASN A 25 -6.472 5.043 8.423 1.00 0.00 C ATOM 348 OD1 ASN A 25 -6.918 3.922 8.179 1.00 0.00 O ATOM 349 ND2 ASN A 25 -5.951 5.367 9.601 1.00 0.00 N ATOM 0 H ASN A 25 -4.937 5.318 5.625 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.699 4.824 6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.493 6.554 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.144 6.944 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.909 4.674 10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.593 6.309 9.759 1.00 0.00 H new ATOM 356 N PHE A 26 -6.866 7.541 4.527 1.00 0.00 N ATOM 357 CA PHE A 26 -7.394 8.656 3.750 1.00 0.00 C ATOM 358 C PHE A 26 -8.178 8.153 2.542 1.00 0.00 C ATOM 359 O PHE A 26 -9.362 8.454 2.386 1.00 0.00 O ATOM 360 CB PHE A 26 -6.256 9.569 3.290 1.00 0.00 C ATOM 361 CG PHE A 26 -6.692 10.625 2.315 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.940 10.305 0.990 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.855 11.939 2.724 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.340 11.275 0.092 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.256 12.914 1.830 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.500 12.581 0.512 1.00 0.00 C ATOM 0 H PHE A 26 -5.854 7.427 4.467 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.070 9.224 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.813 10.051 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.476 8.961 2.831 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.819 9.285 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.666 12.204 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.528 11.012 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.378 13.935 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.815 13.340 -0.189 1.00 0.00 H new ATOM 376 N CYS A 27 -7.510 7.385 1.688 1.00 0.00 N ATOM 377 CA CYS A 27 -8.142 6.840 0.492 1.00 0.00 C ATOM 378 C CYS A 27 -9.491 6.212 0.829 1.00 0.00 C ATOM 379 O CYS A 27 -10.480 6.431 0.131 1.00 0.00 O ATOM 380 CB CYS A 27 -7.231 5.799 -0.162 1.00 0.00 C ATOM 381 SG CYS A 27 -5.625 6.458 -0.713 1.00 0.00 S ATOM 0 H CYS A 27 -6.530 7.126 1.802 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.307 7.659 -0.208 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.056 4.989 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.748 5.367 -1.019 1.00 0.00 H new ATOM 386 N ALA A 28 -9.522 5.430 1.903 1.00 0.00 N ATOM 387 CA ALA A 28 -10.750 4.772 2.333 1.00 0.00 C ATOM 388 C ALA A 28 -11.871 5.784 2.542 1.00 0.00 C ATOM 389 O ALA A 28 -13.002 5.571 2.104 1.00 0.00 O ATOM 390 CB ALA A 28 -10.505 3.981 3.610 1.00 0.00 C ATOM 0 H ALA A 28 -8.711 5.237 2.491 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.060 4.084 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.430 3.495 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.741 3.225 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.168 4.656 4.397 1.00 0.00 H new ATOM 396 N SER A 29 -11.551 6.885 3.213 1.00 0.00 N ATOM 397 CA SER A 29 -12.533 7.928 3.484 1.00 0.00 C ATOM 398 C SER A 29 -13.044 8.543 2.185 1.00 0.00 C ATOM 399 O SER A 29 -14.241 8.782 2.028 1.00 0.00 O ATOM 400 CB SER A 29 -11.922 9.016 4.370 1.00 0.00 C ATOM 401 OG SER A 29 -12.736 10.175 4.389 1.00 0.00 O ATOM 0 H SER A 29 -10.619 7.078 3.579 1.00 0.00 H new ATOM 0 HA SER A 29 -13.374 7.473 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.800 8.637 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.928 9.272 4.004 1.00 0.00 H new ATOM 0 HG SER A 29 -12.325 10.854 4.963 1.00 0.00 H new ATOM 407 N ALA A 30 -12.128 8.797 1.257 1.00 0.00 N ATOM 408 CA ALA A 30 -12.485 9.382 -0.030 1.00 0.00 C ATOM 409 C ALA A 30 -13.360 8.432 -0.841 1.00 0.00 C ATOM 410 O ALA A 30 -14.324 8.853 -1.478 1.00 0.00 O ATOM 411 CB ALA A 30 -11.230 9.743 -0.812 1.00 0.00 C ATOM 0 H ALA A 30 -11.133 8.607 1.372 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.057 10.291 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.511 10.179 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.642 10.464 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.636 8.845 -0.982 1.00 0.00 H new ATOM 417 N GLY A 31 -13.017 7.148 -0.812 1.00 0.00 N ATOM 418 CA GLY A 31 -13.782 6.159 -1.549 1.00 0.00 C ATOM 419 C GLY A 31 -12.899 5.223 -2.351 1.00 0.00 C ATOM 420 O GLY A 31 -13.216 4.883 -3.490 1.00 0.00 O ATOM 0 H GLY A 31 -12.223 6.775 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.385 5.577 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.474 6.666 -2.221 1.00 0.00 H new ATOM 424 N GLY A 32 -11.786 4.807 -1.755 1.00 0.00 N ATOM 425 CA GLY A 32 -10.871 3.910 -2.437 1.00 0.00 C ATOM 426 C GLY A 32 -9.933 3.202 -1.480 1.00 0.00 C ATOM 427 O GLY A 32 -10.080 3.307 -0.263 1.00 0.00 O ATOM 0 H GLY A 32 -11.502 5.075 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.442 3.169 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.286 4.475 -3.163 1.00 0.00 H new ATOM 431 N TYR A 33 -8.966 2.476 -2.031 1.00 0.00 N ATOM 432 CA TYR A 33 -8.002 1.743 -1.218 1.00 0.00 C ATOM 433 C TYR A 33 -6.673 1.592 -1.952 1.00 0.00 C ATOM 434 O TYR A 33 -6.638 1.461 -3.176 1.00 0.00 O ATOM 435 CB TYR A 33 -8.556 0.365 -0.853 1.00 0.00 C ATOM 436 CG TYR A 33 -8.990 -0.450 -2.050 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.066 -1.172 -2.795 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.324 -0.499 -2.435 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.459 -1.918 -3.890 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.726 -1.243 -3.527 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.789 -1.950 -4.252 1.00 0.00 C ATOM 442 OH TYR A 33 -10.184 -2.693 -5.341 1.00 0.00 O ATOM 0 H TYR A 33 -8.829 2.379 -3.037 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.828 2.311 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.795 -0.189 -0.303 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.406 0.490 -0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.023 -1.150 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.060 0.054 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.728 -2.473 -4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.767 -1.271 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.153 -2.609 -5.460 1.00 0.00 H new ATOM 452 N LEU A 34 -5.582 1.611 -1.195 1.00 0.00 N ATOM 453 CA LEU A 34 -4.249 1.475 -1.772 1.00 0.00 C ATOM 454 C LEU A 34 -4.264 0.517 -2.959 1.00 0.00 C ATOM 455 O LEU A 34 -4.902 -0.534 -2.912 1.00 0.00 O ATOM 456 CB LEU A 34 -3.262 0.980 -0.714 1.00 0.00 C ATOM 457 CG LEU A 34 -2.741 2.033 0.264 1.00 0.00 C ATOM 458 CD1 LEU A 34 -1.899 1.383 1.351 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.936 3.094 -0.473 1.00 0.00 C ATOM 0 H LEU A 34 -5.594 1.719 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.931 2.456 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.742 0.187 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.409 0.533 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.596 2.516 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.537 2.148 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.506 0.662 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.050 0.872 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.573 3.835 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.088 2.626 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.569 3.582 -1.214 1.00 0.00 H new ATOM 471 N ALA A 35 -3.554 0.886 -4.020 1.00 0.00 N ATOM 472 CA ALA A 35 -3.482 0.058 -5.217 1.00 0.00 C ATOM 473 C ALA A 35 -2.411 -1.019 -5.076 1.00 0.00 C ATOM 474 O ALA A 35 -1.222 -0.715 -4.979 1.00 0.00 O ATOM 475 CB ALA A 35 -3.209 0.920 -6.440 1.00 0.00 C ATOM 0 H ALA A 35 -3.020 1.754 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.444 -0.438 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.158 0.288 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.012 1.648 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.261 1.443 -6.312 1.00 0.00 H new ATOM 481 N ASP A 36 -2.840 -2.276 -5.065 1.00 0.00 N ATOM 482 CA ASP A 36 -1.917 -3.398 -4.936 1.00 0.00 C ATOM 483 C ASP A 36 -1.012 -3.500 -6.160 1.00 0.00 C ATOM 484 O ASP A 36 -1.276 -2.883 -7.192 1.00 0.00 O ATOM 485 CB ASP A 36 -2.691 -4.703 -4.747 1.00 0.00 C ATOM 486 CG ASP A 36 -3.807 -4.573 -3.730 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.512 -4.619 -2.517 1.00 0.00 O ATOM 488 OD2 ASP A 36 -4.975 -4.425 -4.146 1.00 0.00 O ATOM 0 H ASP A 36 -3.821 -2.544 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.293 -3.225 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.110 -5.015 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.003 -5.487 -4.429 1.00 0.00 H new ATOM 493 N ASP A 37 0.054 -4.282 -6.037 1.00 0.00 N ATOM 494 CA ASP A 37 0.999 -4.466 -7.133 1.00 0.00 C ATOM 495 C ASP A 37 1.294 -5.946 -7.353 1.00 0.00 C ATOM 496 O ASP A 37 2.402 -6.415 -7.088 1.00 0.00 O ATOM 497 CB ASP A 37 2.297 -3.710 -6.848 1.00 0.00 C ATOM 498 CG ASP A 37 2.134 -2.209 -6.979 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.220 -1.652 -6.335 1.00 0.00 O ATOM 500 OD2 ASP A 37 2.922 -1.590 -7.724 1.00 0.00 O ATOM 0 H ASP A 37 0.286 -4.799 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 37 0.548 -4.066 -8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.639 -3.949 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.071 -4.050 -7.537 1.00 0.00 H new ATOM 505 N LEU A 38 0.297 -6.678 -7.838 1.00 0.00 N ATOM 506 CA LEU A 38 0.450 -8.106 -8.094 1.00 0.00 C ATOM 507 C LEU A 38 0.172 -8.430 -9.558 1.00 0.00 C ATOM 508 O LEU A 38 -0.974 -8.637 -9.952 1.00 0.00 O ATOM 509 CB LEU A 38 -0.493 -8.908 -7.194 1.00 0.00 C ATOM 510 CG LEU A 38 -1.951 -8.448 -7.170 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.864 -9.591 -6.754 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.120 -7.260 -6.234 1.00 0.00 C ATOM 0 H LEU A 38 -0.626 -6.306 -8.062 1.00 0.00 H new ATOM 0 HA LEU A 38 1.480 -8.382 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.467 -9.950 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.106 -8.876 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.230 -8.135 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.898 -9.245 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.764 -10.413 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.585 -9.935 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.164 -6.946 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.823 -7.546 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.495 -6.435 -6.576 1.00 0.00 H new ATOM 524 N GLY A 39 1.232 -8.475 -10.360 1.00 0.00 N ATOM 525 CA GLY A 39 1.082 -8.777 -11.771 1.00 0.00 C ATOM 526 C GLY A 39 2.154 -8.124 -12.621 1.00 0.00 C ATOM 527 O GLY A 39 2.552 -6.987 -12.366 1.00 0.00 O ATOM 0 H GLY A 39 2.192 -8.308 -10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.117 -9.857 -11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.101 -8.443 -12.109 1.00 0.00 H new ATOM 531 N ASP A 40 2.624 -8.844 -13.634 1.00 0.00 N ATOM 532 CA ASP A 40 3.657 -8.328 -14.524 1.00 0.00 C ATOM 533 C ASP A 40 3.194 -7.047 -15.209 1.00 0.00 C ATOM 534 O ASP A 40 3.986 -6.131 -15.436 1.00 0.00 O ATOM 535 CB ASP A 40 4.027 -9.378 -15.574 1.00 0.00 C ATOM 536 CG ASP A 40 2.891 -9.655 -16.539 1.00 0.00 C ATOM 537 OD1 ASP A 40 1.830 -10.130 -16.086 1.00 0.00 O ATOM 538 OD2 ASP A 40 3.065 -9.397 -17.749 1.00 0.00 O ATOM 0 H ASP A 40 2.306 -9.787 -13.859 1.00 0.00 H new ATOM 0 HA ASP A 40 4.538 -8.100 -13.924 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.900 -9.038 -16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.309 -10.304 -15.074 1.00 0.00 H new ATOM 543 N ASP A 41 1.908 -6.989 -15.537 1.00 0.00 N ATOM 544 CA ASP A 41 1.339 -5.819 -16.197 1.00 0.00 C ATOM 545 C ASP A 41 1.036 -4.719 -15.185 1.00 0.00 C ATOM 546 O ASP A 41 1.188 -3.532 -15.478 1.00 0.00 O ATOM 547 CB ASP A 41 0.065 -6.202 -16.951 1.00 0.00 C ATOM 548 CG ASP A 41 0.337 -7.142 -18.108 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.770 -6.659 -19.175 1.00 0.00 O ATOM 550 OD2 ASP A 41 0.115 -8.361 -17.948 1.00 0.00 O ATOM 0 H ASP A 41 1.240 -7.738 -15.357 1.00 0.00 H new ATOM 0 HA ASP A 41 2.072 -5.440 -16.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.634 -6.673 -16.261 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.417 -5.299 -17.326 1.00 0.00 H new ATOM 555 N LYS A 42 0.604 -5.120 -13.994 1.00 0.00 N ATOM 556 CA LYS A 42 0.279 -4.169 -12.938 1.00 0.00 C ATOM 557 C LYS A 42 1.520 -3.399 -12.498 1.00 0.00 C ATOM 558 O LYS A 42 1.539 -2.169 -12.520 1.00 0.00 O ATOM 559 CB LYS A 42 -0.334 -4.896 -11.740 1.00 0.00 C ATOM 560 CG LYS A 42 -1.181 -4.000 -10.852 1.00 0.00 C ATOM 561 CD LYS A 42 -2.480 -3.605 -11.535 1.00 0.00 C ATOM 562 CE LYS A 42 -3.294 -2.651 -10.675 1.00 0.00 C ATOM 563 NZ LYS A 42 -3.805 -3.313 -9.443 1.00 0.00 N ATOM 0 H LYS A 42 0.471 -6.098 -13.736 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.446 -3.458 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.949 -5.720 -12.102 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.466 -5.333 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.402 -4.516 -9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.617 -3.103 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.260 -3.135 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.068 -4.498 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.678 -1.796 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.133 -2.265 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.658 -2.819 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.038 -4.304 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.076 -3.278 -8.702 1.00 0.00 H new ATOM 577 N ASN A 43 2.555 -4.131 -12.099 1.00 0.00 N ATOM 578 CA ASN A 43 3.801 -3.517 -11.655 1.00 0.00 C ATOM 579 C ASN A 43 4.419 -2.675 -12.767 1.00 0.00 C ATOM 580 O ASN A 43 4.813 -1.530 -12.546 1.00 0.00 O ATOM 581 CB ASN A 43 4.791 -4.591 -11.203 1.00 0.00 C ATOM 582 CG ASN A 43 6.217 -4.077 -11.148 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.773 -3.872 -10.069 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.815 -3.867 -12.315 1.00 0.00 N ATOM 0 H ASN A 43 2.555 -5.151 -12.074 1.00 0.00 H new ATOM 0 HA ASN A 43 3.575 -2.864 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.501 -4.957 -10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.740 -5.439 -11.886 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.774 -3.522 -12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.315 -4.051 -13.185 1.00 0.00 H new ATOM 591 N ASN A 44 4.498 -3.250 -13.962 1.00 0.00 N ATOM 592 CA ASN A 44 5.068 -2.552 -15.110 1.00 0.00 C ATOM 593 C ASN A 44 4.371 -1.214 -15.334 1.00 0.00 C ATOM 594 O ASN A 44 5.019 -0.199 -15.591 1.00 0.00 O ATOM 595 CB ASN A 44 4.954 -3.417 -16.367 1.00 0.00 C ATOM 596 CG ASN A 44 5.930 -4.578 -16.360 1.00 0.00 C ATOM 597 OD1 ASN A 44 6.778 -4.686 -15.474 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.813 -5.454 -17.351 1.00 0.00 N ATOM 0 H ASN A 44 4.175 -4.197 -14.162 1.00 0.00 H new ATOM 0 HA ASN A 44 6.121 -2.362 -14.902 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.937 -3.801 -16.450 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.134 -2.800 -17.247 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.441 -6.256 -17.399 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.095 -5.325 -18.064 1.00 0.00 H new ATOM 605 N PHE A 45 3.045 -1.220 -15.235 1.00 0.00 N ATOM 606 CA PHE A 45 2.259 -0.007 -15.428 1.00 0.00 C ATOM 607 C PHE A 45 2.618 1.046 -14.384 1.00 0.00 C ATOM 608 O PHE A 45 2.658 2.240 -14.679 1.00 0.00 O ATOM 609 CB PHE A 45 0.764 -0.326 -15.354 1.00 0.00 C ATOM 610 CG PHE A 45 -0.082 0.854 -14.970 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.230 1.213 -13.639 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.728 1.604 -15.938 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.009 2.297 -13.283 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.508 2.691 -15.588 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.648 3.038 -14.259 1.00 0.00 C ATOM 0 H PHE A 45 2.493 -2.051 -15.022 1.00 0.00 H new ATOM 0 HA PHE A 45 2.490 0.393 -16.415 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.432 -0.701 -16.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.607 -1.126 -14.631 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.269 0.639 -12.872 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.621 1.337 -16.979 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.119 2.565 -12.243 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.007 3.268 -16.353 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.256 3.887 -13.983 1.00 0.00 H new ATOM 625 N TYR A 46 2.879 0.593 -13.162 1.00 0.00 N ATOM 626 CA TYR A 46 3.233 1.496 -12.073 1.00 0.00 C ATOM 627 C TYR A 46 4.644 2.044 -12.255 1.00 0.00 C ATOM 628 O TYR A 46 4.864 3.254 -12.206 1.00 0.00 O ATOM 629 CB TYR A 46 3.124 0.773 -10.729 1.00 0.00 C ATOM 630 CG TYR A 46 1.701 0.594 -10.251 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.796 1.648 -10.292 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.261 -0.629 -9.759 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.505 1.489 -9.855 1.00 0.00 C ATOM 634 CE2 TYR A 46 -0.039 -0.797 -9.322 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.918 0.265 -9.371 1.00 0.00 C ATOM 636 OH TYR A 46 -2.213 0.102 -8.937 1.00 0.00 O ATOM 0 H TYR A 46 2.852 -0.393 -12.901 1.00 0.00 H new ATOM 0 HA TYR A 46 2.534 2.333 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.596 -0.206 -10.813 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.683 1.332 -9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.115 2.607 -10.672 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.947 -1.462 -9.718 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.195 2.319 -9.892 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.365 -1.755 -8.944 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.823 0.146 -9.703 1.00 0.00 H new ATOM 646 N SER A 47 5.599 1.144 -12.468 1.00 0.00 N ATOM 647 CA SER A 47 6.991 1.535 -12.655 1.00 0.00 C ATOM 648 C SER A 47 7.094 2.763 -13.554 1.00 0.00 C ATOM 649 O SER A 47 7.978 3.602 -13.380 1.00 0.00 O ATOM 650 CB SER A 47 7.791 0.379 -13.259 1.00 0.00 C ATOM 651 OG SER A 47 9.172 0.692 -13.320 1.00 0.00 O ATOM 0 H SER A 47 5.434 0.139 -12.515 1.00 0.00 H new ATOM 0 HA SER A 47 7.407 1.784 -11.679 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.645 -0.520 -12.661 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.420 0.160 -14.260 1.00 0.00 H new ATOM 0 HG SER A 47 9.662 -0.063 -13.708 1.00 0.00 H new ATOM 657 N SER A 48 6.182 2.863 -14.516 1.00 0.00 N ATOM 658 CA SER A 48 6.171 3.986 -15.446 1.00 0.00 C ATOM 659 C SER A 48 5.829 5.286 -14.724 1.00 0.00 C ATOM 660 O SER A 48 6.544 6.281 -14.842 1.00 0.00 O ATOM 661 CB SER A 48 5.165 3.734 -16.571 1.00 0.00 C ATOM 662 OG SER A 48 5.537 4.425 -17.751 1.00 0.00 O ATOM 0 H SER A 48 5.441 2.180 -14.672 1.00 0.00 H new ATOM 0 HA SER A 48 7.169 4.081 -15.875 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.104 2.665 -16.776 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.173 4.056 -16.255 1.00 0.00 H new ATOM 0 HG SER A 48 4.880 4.247 -18.456 1.00 0.00 H new ATOM 668 N ILE A 49 4.730 5.268 -13.977 1.00 0.00 N ATOM 669 CA ILE A 49 4.293 6.444 -13.234 1.00 0.00 C ATOM 670 C ILE A 49 5.102 6.617 -11.953 1.00 0.00 C ATOM 671 O ILE A 49 5.038 7.660 -11.303 1.00 0.00 O ATOM 672 CB ILE A 49 2.797 6.360 -12.877 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.529 5.137 -11.997 1.00 0.00 C ATOM 674 CG2 ILE A 49 1.953 6.305 -14.141 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.318 5.289 -11.103 1.00 0.00 C ATOM 0 H ILE A 49 4.126 4.453 -13.870 1.00 0.00 H new ATOM 0 HA ILE A 49 4.455 7.305 -13.882 1.00 0.00 H new ATOM 0 HB ILE A 49 2.521 7.254 -12.318 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.392 4.264 -12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.406 4.946 -11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.898 6.246 -13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.126 7.203 -14.734 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.228 5.426 -14.724 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.189 4.385 -10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.460 6.142 -10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.431 5.450 -11.716 1.00 0.00 H new ATOM 687 N ALA A 50 5.863 5.588 -11.597 1.00 0.00 N ATOM 688 CA ALA A 50 6.688 5.628 -10.396 1.00 0.00 C ATOM 689 C ALA A 50 8.091 6.136 -10.709 1.00 0.00 C ATOM 690 O ALA A 50 9.041 5.853 -9.980 1.00 0.00 O ATOM 691 CB ALA A 50 6.754 4.249 -9.755 1.00 0.00 C ATOM 0 H ALA A 50 5.925 4.716 -12.123 1.00 0.00 H new ATOM 0 HA ALA A 50 6.228 6.322 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.373 4.293 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.749 3.925 -9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.187 3.540 -10.461 1.00 0.00 H new ATOM 697 N ALA A 51 8.214 6.886 -11.799 1.00 0.00 N ATOM 698 CA ALA A 51 9.501 7.435 -12.208 1.00 0.00 C ATOM 699 C ALA A 51 10.213 8.098 -11.034 1.00 0.00 C ATOM 700 O ALA A 51 9.782 9.141 -10.544 1.00 0.00 O ATOM 701 CB ALA A 51 9.313 8.429 -13.344 1.00 0.00 C ATOM 0 H ALA A 51 7.438 7.127 -12.415 1.00 0.00 H new ATOM 0 HA ALA A 51 10.124 6.613 -12.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.282 8.831 -13.640 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.854 7.926 -14.195 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.668 9.243 -13.012 1.00 0.00 H new ATOM 707 N ASN A 52 11.305 7.485 -10.588 1.00 0.00 N ATOM 708 CA ASN A 52 12.076 8.016 -9.470 1.00 0.00 C ATOM 709 C ASN A 52 11.156 8.466 -8.339 1.00 0.00 C ATOM 710 O ASN A 52 11.434 9.447 -7.650 1.00 0.00 O ATOM 711 CB ASN A 52 12.944 9.189 -9.933 1.00 0.00 C ATOM 712 CG ASN A 52 12.119 10.403 -10.315 1.00 0.00 C ATOM 713 OD1 ASN A 52 11.683 11.167 -9.453 1.00 0.00 O ATOM 714 ND2 ASN A 52 11.901 10.586 -11.612 1.00 0.00 N ATOM 0 H ASN A 52 11.675 6.621 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 52 12.720 7.221 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.638 9.460 -9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.545 8.878 -10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.353 11.385 -11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.282 9.927 -12.291 1.00 0.00 H new ATOM 721 N THR A 53 10.058 7.739 -8.153 1.00 0.00 N ATOM 722 CA THR A 53 9.097 8.062 -7.106 1.00 0.00 C ATOM 723 C THR A 53 8.858 6.867 -6.190 1.00 0.00 C ATOM 724 O THR A 53 8.701 5.739 -6.656 1.00 0.00 O ATOM 725 CB THR A 53 7.750 8.516 -7.701 1.00 0.00 C ATOM 726 OG1 THR A 53 7.967 9.534 -8.684 1.00 0.00 O ATOM 727 CG2 THR A 53 6.827 9.042 -6.612 1.00 0.00 C ATOM 0 H THR A 53 9.813 6.923 -8.714 1.00 0.00 H new ATOM 0 HA THR A 53 9.525 8.880 -6.526 1.00 0.00 H new ATOM 0 HB THR A 53 7.276 7.654 -8.171 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.440 9.151 -9.452 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.883 9.356 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.640 8.255 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.296 9.892 -6.117 1.00 0.00 H new ATOM 735 N GLN A 54 8.832 7.123 -4.886 1.00 0.00 N ATOM 736 CA GLN A 54 8.613 6.067 -3.906 1.00 0.00 C ATOM 737 C GLN A 54 7.295 6.276 -3.166 1.00 0.00 C ATOM 738 O GLN A 54 7.163 7.198 -2.362 1.00 0.00 O ATOM 739 CB GLN A 54 9.770 6.020 -2.907 1.00 0.00 C ATOM 740 CG GLN A 54 11.138 5.933 -3.564 1.00 0.00 C ATOM 741 CD GLN A 54 12.252 6.428 -2.663 1.00 0.00 C ATOM 742 OE1 GLN A 54 12.030 6.727 -1.489 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.459 6.518 -3.208 1.00 0.00 N ATOM 0 H GLN A 54 8.960 8.052 -4.484 1.00 0.00 H new ATOM 0 HA GLN A 54 8.564 5.117 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.734 6.910 -2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.637 5.161 -2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.336 4.899 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.133 6.518 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.598 6.260 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.247 6.845 -2.650 1.00 0.00 H new ATOM 752 N PHE A 55 6.323 5.413 -3.444 1.00 0.00 N ATOM 753 CA PHE A 55 5.015 5.504 -2.806 1.00 0.00 C ATOM 754 C PHE A 55 4.638 4.180 -2.147 1.00 0.00 C ATOM 755 O PHE A 55 5.231 3.141 -2.436 1.00 0.00 O ATOM 756 CB PHE A 55 3.950 5.899 -3.831 1.00 0.00 C ATOM 757 CG PHE A 55 3.781 4.895 -4.936 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.773 4.719 -5.887 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.630 4.128 -5.023 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.620 3.797 -6.905 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.471 3.204 -6.039 1.00 0.00 C ATOM 762 CZ PHE A 55 3.468 3.038 -6.980 1.00 0.00 C ATOM 0 H PHE A 55 6.417 4.643 -4.107 1.00 0.00 H new ATOM 0 HA PHE A 55 5.068 6.272 -2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.996 6.029 -3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.214 6.864 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.676 5.309 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.848 4.254 -4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.400 3.670 -7.641 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.569 2.613 -6.097 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.347 2.316 -7.774 1.00 0.00 H new ATOM 772 N TRP A 56 3.649 4.227 -1.263 1.00 0.00 N ATOM 773 CA TRP A 56 3.192 3.032 -0.563 1.00 0.00 C ATOM 774 C TRP A 56 2.300 2.182 -1.461 1.00 0.00 C ATOM 775 O TRP A 56 1.667 2.694 -2.385 1.00 0.00 O ATOM 776 CB TRP A 56 2.435 3.419 0.709 1.00 0.00 C ATOM 777 CG TRP A 56 3.292 4.120 1.720 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.233 5.439 2.069 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.336 3.540 2.509 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.178 5.714 3.028 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.867 4.565 3.316 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.872 2.254 2.615 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.907 4.342 4.214 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.905 2.034 3.506 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.414 3.073 4.296 1.00 0.00 C ATOM 0 H TRP A 56 3.148 5.080 -1.014 1.00 0.00 H new ATOM 0 HA TRP A 56 4.068 2.443 -0.291 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.598 4.064 0.443 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.014 2.521 1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.545 6.160 1.653 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.340 6.626 3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.486 1.446 2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.300 5.142 4.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.327 1.044 3.595 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.222 2.869 4.983 1.00 0.00 H new ATOM 796 N ILE A 57 2.254 0.884 -1.184 1.00 0.00 N ATOM 797 CA ILE A 57 1.438 -0.036 -1.967 1.00 0.00 C ATOM 798 C ILE A 57 0.479 -0.816 -1.075 1.00 0.00 C ATOM 799 O ILE A 57 0.496 -0.673 0.147 1.00 0.00 O ATOM 800 CB ILE A 57 2.310 -1.030 -2.757 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.358 -1.663 -1.840 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.979 -0.330 -3.931 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.301 -2.603 -2.558 1.00 0.00 C ATOM 0 H ILE A 57 2.772 0.445 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 57 0.866 0.570 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 57 1.670 -1.822 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.938 -0.872 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.851 -2.208 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.592 -1.045 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.216 0.078 -4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.609 0.479 -3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.016 -3.015 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.731 -3.415 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.836 -2.058 -3.336 1.00 0.00 H new ATOM 815 N GLY A 58 -0.357 -1.644 -1.695 1.00 0.00 N ATOM 816 CA GLY A 58 -1.311 -2.436 -0.941 1.00 0.00 C ATOM 817 C GLY A 58 -0.644 -3.526 -0.125 1.00 0.00 C ATOM 818 O GLY A 58 -1.303 -4.231 0.639 1.00 0.00 O ATOM 0 H GLY A 58 -0.390 -1.780 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.876 -1.783 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.027 -2.887 -1.628 1.00 0.00 H new ATOM 822 N LEU A 59 0.668 -3.665 -0.288 1.00 0.00 N ATOM 823 CA LEU A 59 1.425 -4.678 0.439 1.00 0.00 C ATOM 824 C LEU A 59 1.806 -4.180 1.829 1.00 0.00 C ATOM 825 O LEU A 59 2.447 -3.138 1.973 1.00 0.00 O ATOM 826 CB LEU A 59 2.684 -5.059 -0.342 1.00 0.00 C ATOM 827 CG LEU A 59 3.261 -6.445 -0.051 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.327 -7.530 -0.564 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.642 -6.590 -0.673 1.00 0.00 C ATOM 0 H LEU A 59 1.229 -3.089 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 59 0.793 -5.559 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.459 -4.997 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.454 -4.316 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 59 3.358 -6.558 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.754 -8.509 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.359 -7.440 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.198 -7.420 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.037 -7.582 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.571 -6.456 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.309 -5.835 -0.257 1.00 0.00 H new ATOM 841 N PHE A 60 1.409 -4.931 2.851 1.00 0.00 N ATOM 842 CA PHE A 60 1.710 -4.567 4.230 1.00 0.00 C ATOM 843 C PHE A 60 1.845 -5.810 5.104 1.00 0.00 C ATOM 844 O PHE A 60 1.011 -6.714 5.051 1.00 0.00 O ATOM 845 CB PHE A 60 0.617 -3.653 4.789 1.00 0.00 C ATOM 846 CG PHE A 60 -0.678 -4.365 5.060 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.832 -5.141 6.196 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.741 -4.256 4.178 1.00 0.00 C ATOM 849 CE1 PHE A 60 -2.022 -5.798 6.448 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.934 -4.909 4.424 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.075 -5.680 5.561 1.00 0.00 C ATOM 0 H PHE A 60 0.878 -5.796 2.750 1.00 0.00 H new ATOM 0 HA PHE A 60 2.660 -4.033 4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.973 -3.198 5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.436 -2.842 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.013 -5.234 6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.636 -3.654 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.128 -6.402 7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.755 -4.816 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.007 -6.190 5.757 1.00 0.00 H new ATOM 861 N LYS A 61 2.903 -5.849 5.908 1.00 0.00 N ATOM 862 CA LYS A 61 3.149 -6.980 6.795 1.00 0.00 C ATOM 863 C LYS A 61 2.154 -6.992 7.950 1.00 0.00 C ATOM 864 O LYS A 61 1.999 -5.998 8.659 1.00 0.00 O ATOM 865 CB LYS A 61 4.578 -6.925 7.339 1.00 0.00 C ATOM 866 CG LYS A 61 4.883 -8.010 8.358 1.00 0.00 C ATOM 867 CD LYS A 61 6.350 -8.006 8.755 1.00 0.00 C ATOM 868 CE LYS A 61 7.202 -8.763 7.747 1.00 0.00 C ATOM 869 NZ LYS A 61 8.633 -8.809 8.156 1.00 0.00 N ATOM 0 H LYS A 61 3.604 -5.110 5.963 1.00 0.00 H new ATOM 0 HA LYS A 61 3.021 -7.897 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.278 -7.012 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.746 -5.950 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.265 -7.863 9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.620 -8.983 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.704 -6.978 8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.463 -8.458 9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.822 -9.779 7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.118 -8.287 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.181 -9.333 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.003 -7.840 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.716 -9.286 9.076 1.00 0.00 H new ATOM 883 N ASN A 62 1.482 -8.124 8.135 1.00 0.00 N ATOM 884 CA ASN A 62 0.502 -8.265 9.206 1.00 0.00 C ATOM 885 C ASN A 62 1.179 -8.669 10.513 1.00 0.00 C ATOM 886 O ASN A 62 2.385 -8.909 10.551 1.00 0.00 O ATOM 887 CB ASN A 62 -0.555 -9.303 8.824 1.00 0.00 C ATOM 888 CG ASN A 62 -1.898 -9.027 9.474 1.00 0.00 C ATOM 889 OD1 ASN A 62 -2.149 -7.924 9.961 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.768 -10.030 9.483 1.00 0.00 N ATOM 0 H ASN A 62 1.598 -8.957 7.557 1.00 0.00 H new ATOM 0 HA ASN A 62 0.018 -7.299 9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.674 -9.314 7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.209 -10.294 9.117 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.688 -9.904 9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.517 -10.927 9.067 1.00 0.00 H new ATOM 897 N SER A 63 0.392 -8.742 11.582 1.00 0.00 N ATOM 898 CA SER A 63 0.915 -9.113 12.891 1.00 0.00 C ATOM 899 C SER A 63 1.641 -10.454 12.827 1.00 0.00 C ATOM 900 O SER A 63 2.753 -10.595 13.335 1.00 0.00 O ATOM 901 CB SER A 63 -0.219 -9.183 13.916 1.00 0.00 C ATOM 902 OG SER A 63 0.250 -8.876 15.217 1.00 0.00 O ATOM 0 H SER A 63 -0.609 -8.549 11.567 1.00 0.00 H new ATOM 0 HA SER A 63 1.628 -8.348 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.009 -8.486 13.637 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.658 -10.181 13.910 1.00 0.00 H new ATOM 0 HG SER A 63 -0.494 -8.926 15.853 1.00 0.00 H new ATOM 908 N ASP A 64 1.003 -11.434 12.197 1.00 0.00 N ATOM 909 CA ASP A 64 1.586 -12.764 12.064 1.00 0.00 C ATOM 910 C ASP A 64 3.013 -12.680 11.532 1.00 0.00 C ATOM 911 O ASP A 64 3.926 -13.301 12.074 1.00 0.00 O ATOM 912 CB ASP A 64 0.732 -13.629 11.136 1.00 0.00 C ATOM 913 CG ASP A 64 0.102 -12.826 10.014 1.00 0.00 C ATOM 914 OD1 ASP A 64 0.845 -12.374 9.118 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.134 -12.650 10.033 1.00 0.00 O ATOM 0 H ASP A 64 0.082 -11.333 11.770 1.00 0.00 H new ATOM 0 HA ASP A 64 1.612 -13.223 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.350 -14.420 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.052 -14.115 11.716 1.00 0.00 H new ATOM 920 N GLY A 65 3.197 -11.909 10.465 1.00 0.00 N ATOM 921 CA GLY A 65 4.515 -11.759 9.875 1.00 0.00 C ATOM 922 C GLY A 65 4.496 -11.907 8.367 1.00 0.00 C ATOM 923 O GLY A 65 5.529 -11.773 7.712 1.00 0.00 O ATOM 0 H GLY A 65 2.457 -11.385 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.917 -10.780 10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.187 -12.503 10.301 1.00 0.00 H new ATOM 927 N GLN A 66 3.319 -12.186 7.816 1.00 0.00 N ATOM 928 CA GLN A 66 3.171 -12.355 6.375 1.00 0.00 C ATOM 929 C GLN A 66 2.685 -11.065 5.723 1.00 0.00 C ATOM 930 O GLN A 66 2.077 -10.217 6.378 1.00 0.00 O ATOM 931 CB GLN A 66 2.197 -13.494 6.071 1.00 0.00 C ATOM 932 CG GLN A 66 2.521 -14.785 6.806 1.00 0.00 C ATOM 933 CD GLN A 66 2.073 -16.017 6.045 1.00 0.00 C ATOM 934 OE1 GLN A 66 2.431 -16.208 4.882 1.00 0.00 O ATOM 935 NE2 GLN A 66 1.285 -16.863 6.699 1.00 0.00 N ATOM 0 H GLN A 66 2.454 -12.300 8.345 1.00 0.00 H new ATOM 0 HA GLN A 66 4.148 -12.603 5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.188 -13.178 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.199 -13.686 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.596 -14.840 6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.041 -14.772 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.013 -16.666 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.952 -17.710 6.238 1.00 0.00 H new ATOM 944 N PHE A 67 2.955 -10.923 4.430 1.00 0.00 N ATOM 945 CA PHE A 67 2.546 -9.736 3.689 1.00 0.00 C ATOM 946 C PHE A 67 1.180 -9.944 3.040 1.00 0.00 C ATOM 947 O PHE A 67 0.984 -10.884 2.270 1.00 0.00 O ATOM 948 CB PHE A 67 3.585 -9.393 2.619 1.00 0.00 C ATOM 949 CG PHE A 67 4.894 -8.923 3.185 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.043 -7.620 3.632 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.976 -9.784 3.270 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.247 -7.184 4.152 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.183 -9.354 3.789 1.00 0.00 C ATOM 954 CZ PHE A 67 7.318 -8.053 4.232 1.00 0.00 C ATOM 0 H PHE A 67 3.456 -11.616 3.873 1.00 0.00 H new ATOM 0 HA PHE A 67 2.472 -8.907 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.761 -10.272 1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.181 -8.619 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.208 -6.937 3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.875 -10.803 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.350 -6.165 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.019 -10.035 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.259 -7.715 4.640 1.00 0.00 H new ATOM 964 N TYR A 68 0.241 -9.060 3.357 1.00 0.00 N ATOM 965 CA TYR A 68 -1.107 -9.147 2.808 1.00 0.00 C ATOM 966 C TYR A 68 -1.369 -8.011 1.824 1.00 0.00 C ATOM 967 O TYR A 68 -0.503 -7.169 1.587 1.00 0.00 O ATOM 968 CB TYR A 68 -2.142 -9.111 3.933 1.00 0.00 C ATOM 969 CG TYR A 68 -2.045 -10.284 4.883 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.925 -10.463 5.685 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.075 -11.212 4.979 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.832 -11.533 6.553 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.992 -12.284 5.846 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.868 -12.441 6.630 1.00 0.00 C ATOM 975 OH TYR A 68 -1.780 -13.508 7.495 1.00 0.00 O ATOM 0 H TYR A 68 0.388 -8.275 3.991 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.194 -10.093 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.021 -8.186 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.140 -9.090 3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.113 -9.753 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.956 -11.093 4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.047 -11.658 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.802 -12.995 5.910 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.708 -13.178 8.415 1.00 0.00 H new ATOM 985 N TRP A 69 -2.569 -7.995 1.255 1.00 0.00 N ATOM 986 CA TRP A 69 -2.947 -6.962 0.297 1.00 0.00 C ATOM 987 C TRP A 69 -4.103 -6.123 0.829 1.00 0.00 C ATOM 988 O TRP A 69 -5.092 -6.659 1.329 1.00 0.00 O ATOM 989 CB TRP A 69 -3.333 -7.596 -1.041 1.00 0.00 C ATOM 990 CG TRP A 69 -2.160 -8.129 -1.806 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.908 -9.435 -2.114 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.080 -7.368 -2.359 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.736 -9.533 -2.825 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.209 -8.279 -2.989 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.765 -6.007 -2.384 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.954 -7.870 -3.634 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.390 -5.603 -3.025 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.238 -6.531 -3.644 1.00 0.00 C ATOM 0 H TRP A 69 -3.297 -8.685 1.440 1.00 0.00 H new ATOM 0 HA TRP A 69 -2.088 -6.308 0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.039 -8.407 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.849 -6.854 -1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.537 -10.269 -1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.325 -10.399 -3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.413 -5.284 -1.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.610 -8.584 -4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.644 -4.554 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.133 -6.183 -4.138 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.973 -4.806 0.718 1.00 0.00 N ATOM 1010 CA ASP A 70 -5.008 -3.892 1.187 1.00 0.00 C ATOM 1011 C ASP A 70 -6.264 -4.009 0.330 1.00 0.00 C ATOM 1012 O ASP A 70 -6.245 -3.702 -0.863 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.494 -2.452 1.168 1.00 0.00 C ATOM 1014 CG ASP A 70 -3.534 -2.165 2.306 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -3.831 -2.570 3.450 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -2.486 -1.535 2.053 1.00 0.00 O ATOM 0 H ASP A 70 -3.160 -4.347 0.307 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.262 -4.164 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.995 -2.260 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.339 -1.767 1.228 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.355 -4.455 0.944 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.620 -4.614 0.237 1.00 0.00 C ATOM 1023 C ARG A 71 -9.654 -3.611 0.740 1.00 0.00 C ATOM 1024 O ARG A 71 -10.857 -3.813 0.582 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.149 -6.039 0.409 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.378 -7.076 -0.391 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.711 -6.996 -1.873 1.00 0.00 C ATOM 1028 NE ARG A 71 -8.195 -8.145 -2.612 1.00 0.00 N ATOM 1029 CZ ARG A 71 -8.219 -8.238 -3.937 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.731 -7.255 -4.664 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.730 -9.316 -4.537 1.00 0.00 N ATOM 0 H ARG A 71 -7.388 -4.713 1.930 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.442 -4.425 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.112 -6.306 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.197 -6.067 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.308 -6.925 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.612 -8.073 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.792 -6.940 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.293 -6.080 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.794 -8.919 -2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.108 -6.425 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.748 -7.329 -5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.335 -10.074 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.749 -9.386 -5.554 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.176 -2.529 1.347 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.072 -1.511 1.864 1.00 0.00 C ATOM 1047 C GLY A 72 -10.076 -1.459 3.379 1.00 0.00 C ATOM 1048 O GLY A 72 -9.231 -2.072 4.029 1.00 0.00 O ATOM 0 H GLY A 72 -8.184 -2.339 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.777 -0.538 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.083 -1.706 1.507 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.029 -0.723 3.941 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.138 -0.591 5.389 1.00 0.00 C ATOM 1054 C GLN A 73 -12.075 -1.648 5.964 1.00 0.00 C ATOM 1055 O GLN A 73 -13.228 -1.761 5.550 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.639 0.806 5.759 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.831 1.008 7.254 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.924 2.009 7.572 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -14.011 1.963 6.994 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.642 2.921 8.495 1.00 0.00 N ATOM 0 H GLN A 73 -11.737 -0.209 3.416 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.146 -0.739 5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.930 1.547 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.586 0.989 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.073 0.052 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.893 1.347 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.728 2.922 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.339 3.620 8.751 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.571 -2.423 6.920 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.376 -3.461 7.535 1.00 0.00 C ATOM 1071 C GLY A 74 -12.410 -4.733 6.711 1.00 0.00 C ATOM 1072 O GLY A 74 -12.361 -5.836 7.257 1.00 0.00 O ATOM 0 H GLY A 74 -10.619 -2.350 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.980 -3.684 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.393 -3.094 7.673 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.495 -4.581 5.394 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.536 -5.727 4.494 1.00 0.00 C ATOM 1078 C ILE A 75 -11.408 -6.707 4.800 1.00 0.00 C ATOM 1079 O ILE A 75 -10.342 -6.314 5.272 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.434 -5.290 3.021 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.541 -4.288 2.686 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.513 -6.500 2.102 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.925 -4.897 2.673 1.00 0.00 C ATOM 0 H ILE A 75 -12.537 -3.676 4.926 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.496 -6.219 4.653 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.470 -4.804 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.517 -3.476 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.338 -3.848 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.439 -6.174 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.693 -7.182 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.463 -7.012 2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.658 -4.129 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.967 -5.690 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.149 -5.312 3.656 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.652 -7.985 4.528 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.656 -9.022 4.773 1.00 0.00 C ATOM 1097 C ASN A 76 -9.503 -8.915 3.780 1.00 0.00 C ATOM 1098 O ASN A 76 -9.700 -8.837 2.568 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.299 -10.407 4.678 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.520 -10.541 5.567 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.414 -10.922 6.733 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -13.688 -10.227 5.019 1.00 0.00 N ATOM 0 H ASN A 76 -12.530 -8.327 4.138 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.260 -8.880 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.583 -10.602 3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.566 -11.164 4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.544 -10.297 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.729 -9.916 4.049 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.269 -8.911 4.306 1.00 0.00 N ATOM 1110 CA PRO A 77 -7.059 -8.815 3.484 1.00 0.00 C ATOM 1111 C PRO A 77 -6.813 -10.078 2.664 1.00 0.00 C ATOM 1112 O PRO A 77 -7.510 -11.079 2.826 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.944 -8.621 4.514 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.474 -9.233 5.765 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.959 -9.002 5.742 1.00 0.00 C ATOM 0 HA PRO A 77 -7.127 -8.010 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.022 -9.107 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.715 -7.565 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.245 -10.298 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.022 -8.776 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.500 -9.819 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.232 -8.088 6.270 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.817 -10.023 1.786 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.478 -11.163 0.943 1.00 0.00 C ATOM 1125 C ASP A 78 -4.027 -11.582 1.153 1.00 0.00 C ATOM 1126 O ASP A 78 -3.107 -10.781 0.981 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.716 -10.824 -0.529 1.00 0.00 C ATOM 1128 CG ASP A 78 -6.061 -12.047 -1.357 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -5.129 -12.779 -1.750 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.263 -12.272 -1.611 1.00 0.00 O ATOM 0 H ASP A 78 -5.231 -9.201 1.640 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.122 -11.996 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.525 -10.097 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.823 -10.351 -0.939 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.828 -12.841 1.527 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.488 -13.367 1.762 1.00 0.00 C ATOM 1137 C LEU A 79 -1.698 -13.447 0.460 1.00 0.00 C ATOM 1138 O LEU A 79 -2.134 -14.076 -0.506 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.567 -14.751 2.410 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.289 -15.252 3.083 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.193 -15.472 2.052 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.830 -14.270 4.151 1.00 0.00 C ATOM 0 H LEU A 79 -4.578 -13.517 1.674 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.971 -12.686 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.364 -14.737 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.858 -15.472 1.646 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.504 -16.207 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.709 -15.828 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.522 -16.213 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.021 -14.532 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.081 -14.642 4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.633 -13.301 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.609 -14.163 4.906 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.533 -12.809 0.440 1.00 0.00 N ATOM 1155 CA LEU A 80 0.320 -12.810 -0.744 1.00 0.00 C ATOM 1156 C LEU A 80 0.667 -14.235 -1.163 1.00 0.00 C ATOM 1157 O LEU A 80 1.597 -14.840 -0.631 1.00 0.00 O ATOM 1158 CB LEU A 80 1.601 -12.019 -0.474 1.00 0.00 C ATOM 1159 CG LEU A 80 2.712 -12.165 -1.514 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.517 -11.168 -2.646 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.076 -11.980 -0.867 1.00 0.00 C ATOM 0 H LEU A 80 -0.157 -12.284 1.230 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.228 -12.335 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.342 -10.963 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.995 -12.325 0.495 1.00 0.00 H new ATOM 0 HG LEU A 80 2.664 -13.171 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.317 -11.286 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.556 -11.348 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.538 -10.154 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.855 -12.087 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.136 -10.987 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.216 -12.733 -0.092 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.084 -14.763 -2.123 1.00 0.00 N ATOM 1174 CA ASN A 81 0.146 -16.117 -2.616 1.00 0.00 C ATOM 1175 C ASN A 81 0.484 -16.103 -4.104 1.00 0.00 C ATOM 1176 O ASN A 81 0.280 -17.094 -4.805 1.00 0.00 O ATOM 1177 CB ASN A 81 -1.088 -16.988 -2.370 1.00 0.00 C ATOM 1178 CG ASN A 81 -2.236 -16.640 -3.299 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -2.565 -15.469 -3.485 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -2.850 -17.660 -3.887 1.00 0.00 N ATOM 0 H ASN A 81 -0.857 -14.275 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 81 0.993 -16.537 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.822 -18.037 -2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.412 -16.870 -1.336 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.629 -17.488 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.543 -18.615 -3.703 1.00 0.00 H new ATOM 1187 N GLN A 82 1.003 -14.975 -4.577 1.00 0.00 N ATOM 1188 CA GLN A 82 1.369 -14.833 -5.981 1.00 0.00 C ATOM 1189 C GLN A 82 2.738 -15.450 -6.251 1.00 0.00 C ATOM 1190 O GLN A 82 3.669 -15.327 -5.455 1.00 0.00 O ATOM 1191 CB GLN A 82 1.374 -13.357 -6.383 1.00 0.00 C ATOM 1192 CG GLN A 82 2.354 -12.513 -5.585 1.00 0.00 C ATOM 1193 CD GLN A 82 2.078 -11.027 -5.707 1.00 0.00 C ATOM 1194 OE1 GLN A 82 1.003 -10.551 -5.342 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.051 -10.285 -6.223 1.00 0.00 N ATOM 0 H GLN A 82 1.179 -14.146 -4.009 1.00 0.00 H new ATOM 0 HA GLN A 82 0.627 -15.362 -6.579 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.618 -13.278 -7.442 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.370 -12.951 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.306 -12.803 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.368 -12.720 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.926 -10.721 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.923 -9.279 -6.330 1.00 0.00 H new ATOM 1204 N PRO A 83 2.865 -16.130 -7.400 1.00 0.00 N ATOM 1205 CA PRO A 83 4.116 -16.780 -7.802 1.00 0.00 C ATOM 1206 C PRO A 83 5.202 -15.772 -8.165 1.00 0.00 C ATOM 1207 O PRO A 83 6.392 -16.041 -7.998 1.00 0.00 O ATOM 1208 CB PRO A 83 3.713 -17.597 -9.031 1.00 0.00 C ATOM 1209 CG PRO A 83 2.522 -16.891 -9.582 1.00 0.00 C ATOM 1210 CD PRO A 83 1.797 -16.317 -8.396 1.00 0.00 C ATOM 0 HA PRO A 83 4.541 -17.379 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.521 -17.639 -9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.474 -18.626 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.820 -16.105 -10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.882 -17.578 -10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.308 -15.375 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.023 -16.993 -8.033 1.00 0.00 H new ATOM 1218 N ILE A 84 4.784 -14.612 -8.661 1.00 0.00 N ATOM 1219 CA ILE A 84 5.722 -13.565 -9.045 1.00 0.00 C ATOM 1220 C ILE A 84 5.873 -12.528 -7.937 1.00 0.00 C ATOM 1221 O ILE A 84 4.884 -12.022 -7.405 1.00 0.00 O ATOM 1222 CB ILE A 84 5.275 -12.856 -10.338 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.127 -13.868 -11.475 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.268 -11.768 -10.716 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.554 -13.273 -12.743 1.00 0.00 C ATOM 0 H ILE A 84 3.803 -14.374 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 84 6.683 -14.050 -9.219 1.00 0.00 H new ATOM 0 HB ILE A 84 4.305 -12.390 -10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.103 -14.300 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.484 -14.684 -11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.938 -11.277 -11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.328 -11.035 -9.912 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.251 -12.212 -10.876 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.477 -14.048 -13.506 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.564 -12.866 -12.539 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.208 -12.477 -13.099 1.00 0.00 H new ATOM 1237 N THR A 85 7.118 -12.215 -7.593 1.00 0.00 N ATOM 1238 CA THR A 85 7.400 -11.238 -6.549 1.00 0.00 C ATOM 1239 C THR A 85 8.429 -10.215 -7.016 1.00 0.00 C ATOM 1240 O THR A 85 9.176 -10.459 -7.964 1.00 0.00 O ATOM 1241 CB THR A 85 7.916 -11.919 -5.267 1.00 0.00 C ATOM 1242 OG1 THR A 85 9.007 -12.792 -5.582 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.807 -12.710 -4.590 1.00 0.00 C ATOM 0 H THR A 85 7.948 -12.624 -8.023 1.00 0.00 H new ATOM 0 HA THR A 85 6.461 -10.730 -6.330 1.00 0.00 H new ATOM 0 HB THR A 85 8.257 -11.143 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.331 -13.220 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.195 -13.182 -3.687 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.990 -12.038 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.440 -13.478 -5.271 1.00 0.00 H new ATOM 1251 N TYR A 86 8.463 -9.069 -6.345 1.00 0.00 N ATOM 1252 CA TYR A 86 9.399 -8.007 -6.693 1.00 0.00 C ATOM 1253 C TYR A 86 10.302 -7.668 -5.511 1.00 0.00 C ATOM 1254 O TYR A 86 10.938 -6.614 -5.484 1.00 0.00 O ATOM 1255 CB TYR A 86 8.641 -6.757 -7.145 1.00 0.00 C ATOM 1256 CG TYR A 86 7.598 -7.032 -8.205 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.967 -7.438 -9.482 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.244 -6.886 -7.929 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.017 -7.689 -10.453 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.288 -7.137 -8.894 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.679 -7.538 -10.154 1.00 0.00 C ATOM 1262 OH TYR A 86 4.730 -7.788 -11.118 1.00 0.00 O ATOM 0 H TYR A 86 7.853 -8.852 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 86 10.022 -8.362 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.157 -6.303 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.355 -6.029 -7.530 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.014 -7.559 -9.719 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.934 -6.571 -6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.320 -8.002 -11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.240 -7.020 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 86 3.963 -7.193 -10.984 1.00 0.00 H new ATOM 1272 N TRP A 87 10.353 -8.568 -4.537 1.00 0.00 N ATOM 1273 CA TRP A 87 11.178 -8.366 -3.351 1.00 0.00 C ATOM 1274 C TRP A 87 12.597 -7.965 -3.738 1.00 0.00 C ATOM 1275 O TRP A 87 13.224 -8.604 -4.582 1.00 0.00 O ATOM 1276 CB TRP A 87 11.207 -9.638 -2.502 1.00 0.00 C ATOM 1277 CG TRP A 87 9.884 -9.967 -1.880 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.136 -11.090 -2.092 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.152 -9.165 -0.947 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.983 -11.034 -1.346 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.970 -9.864 -0.635 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.382 -7.926 -0.343 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.021 -9.363 0.253 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.439 -7.430 0.538 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.272 -8.147 0.830 1.00 0.00 C ATOM 0 H TRP A 87 9.833 -9.445 -4.544 1.00 0.00 H new ATOM 0 HA TRP A 87 10.739 -7.558 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.526 -10.474 -3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.952 -9.524 -1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.410 -11.902 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.255 -11.748 -1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.280 -7.366 -0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.120 -9.914 0.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.605 -6.473 1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.556 -7.733 1.524 1.00 0.00 H new ATOM 1296 N ALA A 88 13.098 -6.904 -3.115 1.00 0.00 N ATOM 1297 CA ALA A 88 14.445 -6.420 -3.393 1.00 0.00 C ATOM 1298 C ALA A 88 15.495 -7.424 -2.931 1.00 0.00 C ATOM 1299 O ALA A 88 15.180 -8.394 -2.243 1.00 0.00 O ATOM 1300 CB ALA A 88 14.670 -5.072 -2.724 1.00 0.00 C ATOM 0 H ALA A 88 12.592 -6.363 -2.414 1.00 0.00 H new ATOM 0 HA ALA A 88 14.546 -6.299 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.680 -4.723 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.947 -4.351 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.545 -5.175 -1.646 1.00 0.00 H new ATOM 1306 N ASN A 89 16.745 -7.184 -3.314 1.00 0.00 N ATOM 1307 CA ASN A 89 17.843 -8.069 -2.939 1.00 0.00 C ATOM 1308 C ASN A 89 17.841 -8.332 -1.436 1.00 0.00 C ATOM 1309 O ASN A 89 18.154 -7.448 -0.640 1.00 0.00 O ATOM 1310 CB ASN A 89 19.182 -7.461 -3.360 1.00 0.00 C ATOM 1311 CG ASN A 89 19.615 -6.330 -2.448 1.00 0.00 C ATOM 1312 OD1 ASN A 89 20.379 -6.535 -1.505 1.00 0.00 O ATOM 1313 ND2 ASN A 89 19.128 -5.126 -2.727 1.00 0.00 N ATOM 0 H ASN A 89 17.023 -6.385 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 89 17.704 -9.018 -3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.947 -8.238 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.104 -7.091 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.385 -4.326 -2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.497 -5.002 -3.519 1.00 0.00 H new ATOM 1320 N GLY A 90 17.486 -9.556 -1.056 1.00 0.00 N ATOM 1321 CA GLY A 90 17.450 -9.914 0.350 1.00 0.00 C ATOM 1322 C GLY A 90 16.063 -9.783 0.947 1.00 0.00 C ATOM 1323 O GLY A 90 15.753 -10.415 1.956 1.00 0.00 O ATOM 0 H GLY A 90 17.223 -10.305 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.798 -10.940 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.141 -9.277 0.902 1.00 0.00 H new ATOM 1327 N GLU A 91 15.227 -8.960 0.322 1.00 0.00 N ATOM 1328 CA GLU A 91 13.866 -8.747 0.800 1.00 0.00 C ATOM 1329 C GLU A 91 13.028 -10.011 0.637 1.00 0.00 C ATOM 1330 O GLU A 91 13.303 -10.865 -0.206 1.00 0.00 O ATOM 1331 CB GLU A 91 13.212 -7.587 0.045 1.00 0.00 C ATOM 1332 CG GLU A 91 13.718 -6.220 0.472 1.00 0.00 C ATOM 1333 CD GLU A 91 13.683 -6.029 1.976 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.630 -6.314 2.585 1.00 0.00 O ATOM 1335 OE2 GLU A 91 14.706 -5.594 2.544 1.00 0.00 O ATOM 0 H GLU A 91 15.468 -8.430 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 91 13.915 -8.499 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.390 -7.714 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.133 -7.629 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.740 -6.087 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.113 -5.448 -0.003 1.00 0.00 H new ATOM 1342 N PRO A 92 11.979 -10.136 1.464 1.00 0.00 N ATOM 1343 CA PRO A 92 11.641 -9.127 2.472 1.00 0.00 C ATOM 1344 C PRO A 92 12.656 -9.080 3.609 1.00 0.00 C ATOM 1345 O PRO A 92 13.445 -10.008 3.788 1.00 0.00 O ATOM 1346 CB PRO A 92 10.277 -9.587 2.992 1.00 0.00 C ATOM 1347 CG PRO A 92 10.251 -11.055 2.739 1.00 0.00 C ATOM 1348 CD PRO A 92 11.042 -11.272 1.479 1.00 0.00 C ATOM 0 HA PRO A 92 11.636 -8.120 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.163 -9.366 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.464 -9.081 2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.689 -11.603 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.228 -11.413 2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.568 -12.227 1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.401 -11.276 0.598 1.00 0.00 H new ATOM 1356 N SER A 93 12.630 -7.994 4.375 1.00 0.00 N ATOM 1357 CA SER A 93 13.551 -7.826 5.493 1.00 0.00 C ATOM 1358 C SER A 93 12.916 -8.301 6.796 1.00 0.00 C ATOM 1359 O SER A 93 11.746 -8.031 7.064 1.00 0.00 O ATOM 1360 CB SER A 93 13.969 -6.359 5.621 1.00 0.00 C ATOM 1361 OG SER A 93 15.259 -6.245 6.195 1.00 0.00 O ATOM 0 H SER A 93 11.982 -7.218 4.242 1.00 0.00 H new ATOM 0 HA SER A 93 14.435 -8.433 5.298 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.962 -5.888 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.245 -5.824 6.236 1.00 0.00 H new ATOM 0 HG SER A 93 15.188 -6.293 7.171 1.00 0.00 H new ATOM 1367 N ASN A 94 13.698 -9.010 7.604 1.00 0.00 N ATOM 1368 CA ASN A 94 13.213 -9.524 8.880 1.00 0.00 C ATOM 1369 C ASN A 94 13.426 -8.503 9.994 1.00 0.00 C ATOM 1370 O ASN A 94 13.842 -8.852 11.098 1.00 0.00 O ATOM 1371 CB ASN A 94 13.924 -10.833 9.230 1.00 0.00 C ATOM 1372 CG ASN A 94 13.368 -12.016 8.461 1.00 0.00 C ATOM 1373 OD1 ASN A 94 12.429 -11.875 7.677 1.00 0.00 O ATOM 1374 ND2 ASN A 94 13.946 -13.191 8.684 1.00 0.00 N ATOM 0 H ASN A 94 14.670 -9.242 7.398 1.00 0.00 H new ATOM 0 HA ASN A 94 12.144 -9.713 8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.989 -10.733 9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.828 -11.021 10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.614 -14.023 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.722 -13.261 9.343 1.00 0.00 H new ATOM 1381 N ASP A 95 13.136 -7.242 9.696 1.00 0.00 N ATOM 1382 CA ASP A 95 13.293 -6.170 10.672 1.00 0.00 C ATOM 1383 C ASP A 95 11.990 -5.925 11.426 1.00 0.00 C ATOM 1384 O ASP A 95 10.908 -5.863 10.841 1.00 0.00 O ATOM 1385 CB ASP A 95 13.746 -4.883 9.980 1.00 0.00 C ATOM 1386 CG ASP A 95 15.169 -4.972 9.465 1.00 0.00 C ATOM 1387 OD1 ASP A 95 15.652 -6.104 9.249 1.00 0.00 O ATOM 1388 OD2 ASP A 95 15.799 -3.911 9.276 1.00 0.00 O ATOM 0 H ASP A 95 12.791 -6.937 8.786 1.00 0.00 H new ATOM 0 HA ASP A 95 14.055 -6.475 11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.075 -4.665 9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.667 -4.051 10.680 1.00 0.00 H new ATOM 1393 N PRO A 96 12.092 -5.784 12.755 1.00 0.00 N ATOM 1394 CA PRO A 96 10.931 -5.545 13.618 1.00 0.00 C ATOM 1395 C PRO A 96 10.337 -4.155 13.418 1.00 0.00 C ATOM 1396 O PRO A 96 9.139 -3.946 13.612 1.00 0.00 O ATOM 1397 CB PRO A 96 11.505 -5.683 15.031 1.00 0.00 C ATOM 1398 CG PRO A 96 12.952 -5.360 14.886 1.00 0.00 C ATOM 1399 CD PRO A 96 13.350 -5.847 13.520 1.00 0.00 C ATOM 0 HA PRO A 96 10.115 -6.236 13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.015 -5.001 15.726 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.362 -6.691 15.420 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.124 -4.288 14.984 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.541 -5.850 15.662 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.121 -5.217 13.078 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.749 -6.861 13.555 1.00 0.00 H new ATOM 1407 N THR A 97 11.182 -3.205 13.028 1.00 0.00 N ATOM 1408 CA THR A 97 10.741 -1.835 12.802 1.00 0.00 C ATOM 1409 C THR A 97 10.060 -1.693 11.445 1.00 0.00 C ATOM 1410 O THR A 97 9.024 -1.039 11.326 1.00 0.00 O ATOM 1411 CB THR A 97 11.919 -0.846 12.878 1.00 0.00 C ATOM 1412 OG1 THR A 97 12.898 -1.173 11.886 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.559 -0.871 14.258 1.00 0.00 C ATOM 0 H THR A 97 12.176 -3.360 12.862 1.00 0.00 H new ATOM 0 HA THR A 97 10.026 -1.599 13.591 1.00 0.00 H new ATOM 0 HB THR A 97 11.535 0.157 12.692 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.643 -0.538 11.940 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.388 -0.164 14.287 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.818 -0.592 15.008 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.929 -1.874 14.469 1.00 0.00 H new ATOM 1421 N ARG A 98 10.647 -2.311 10.426 1.00 0.00 N ATOM 1422 CA ARG A 98 10.097 -2.253 9.077 1.00 0.00 C ATOM 1423 C ARG A 98 9.084 -3.372 8.855 1.00 0.00 C ATOM 1424 O ARG A 98 9.429 -4.552 8.900 1.00 0.00 O ATOM 1425 CB ARG A 98 11.218 -2.352 8.041 1.00 0.00 C ATOM 1426 CG ARG A 98 12.455 -1.546 8.403 1.00 0.00 C ATOM 1427 CD ARG A 98 13.695 -2.086 7.707 1.00 0.00 C ATOM 1428 NE ARG A 98 13.795 -1.618 6.327 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.886 -1.759 5.582 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.962 -2.351 6.080 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.900 -1.307 4.334 1.00 0.00 N ATOM 0 H ARG A 98 11.504 -2.858 10.509 1.00 0.00 H new ATOM 0 HA ARG A 98 9.588 -1.296 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.499 -3.398 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.841 -2.010 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.305 -0.503 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.603 -1.570 9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.583 -1.779 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.672 -3.176 7.720 1.00 0.00 H new ATOM 0 HE ARG A 98 12.984 -1.158 5.913 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.954 -2.700 7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.798 -2.457 5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.073 -0.852 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.737 -1.415 3.762 1.00 0.00 H new ATOM 1445 N GLN A 99 7.833 -2.991 8.616 1.00 0.00 N ATOM 1446 CA GLN A 99 6.769 -3.963 8.388 1.00 0.00 C ATOM 1447 C GLN A 99 6.046 -3.681 7.076 1.00 0.00 C ATOM 1448 O GLN A 99 5.669 -4.603 6.352 1.00 0.00 O ATOM 1449 CB GLN A 99 5.773 -3.941 9.548 1.00 0.00 C ATOM 1450 CG GLN A 99 6.430 -3.810 10.913 1.00 0.00 C ATOM 1451 CD GLN A 99 5.627 -4.476 12.013 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.750 -5.299 11.747 1.00 0.00 O ATOM 1453 NE2 GLN A 99 5.923 -4.122 13.259 1.00 0.00 N ATOM 0 H GLN A 99 7.531 -2.017 8.575 1.00 0.00 H new ATOM 0 HA GLN A 99 7.222 -4.952 8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.081 -3.111 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.181 -4.856 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.426 -4.252 10.877 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.558 -2.754 11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.657 -3.436 13.433 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.416 -4.536 14.041 1.00 0.00 H new ATOM 1462 N CYS A 100 5.855 -2.401 6.774 1.00 0.00 N ATOM 1463 CA CYS A 100 5.177 -1.996 5.549 1.00 0.00 C ATOM 1464 C CYS A 100 6.133 -2.030 4.361 1.00 0.00 C ATOM 1465 O CYS A 100 7.351 -1.961 4.528 1.00 0.00 O ATOM 1466 CB CYS A 100 4.591 -0.592 5.706 1.00 0.00 C ATOM 1467 SG CYS A 100 3.274 -0.471 6.960 1.00 0.00 S ATOM 0 H CYS A 100 6.161 -1.626 7.362 1.00 0.00 H new ATOM 0 HA CYS A 100 4.368 -2.702 5.361 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.393 0.097 5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.194 -0.266 4.745 1.00 0.00 H new ATOM 1472 N VAL A 101 5.573 -2.136 3.160 1.00 0.00 N ATOM 1473 CA VAL A 101 6.375 -2.178 1.943 1.00 0.00 C ATOM 1474 C VAL A 101 5.982 -1.057 0.987 1.00 0.00 C ATOM 1475 O VAL A 101 4.802 -0.740 0.837 1.00 0.00 O ATOM 1476 CB VAL A 101 6.228 -3.530 1.220 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.082 -3.558 -0.039 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.597 -4.675 2.151 1.00 0.00 C ATOM 0 H VAL A 101 4.567 -2.194 3.004 1.00 0.00 H new ATOM 0 HA VAL A 101 7.414 -2.047 2.244 1.00 0.00 H new ATOM 0 HB VAL A 101 5.186 -3.654 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.965 -4.521 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.765 -2.761 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.129 -3.412 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.487 -5.623 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.630 -4.559 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.938 -4.665 3.019 1.00 0.00 H new ATOM 1488 N TYR A 102 6.979 -0.461 0.343 1.00 0.00 N ATOM 1489 CA TYR A 102 6.738 0.627 -0.598 1.00 0.00 C ATOM 1490 C TYR A 102 7.463 0.377 -1.917 1.00 0.00 C ATOM 1491 O TYR A 102 8.508 -0.273 -1.951 1.00 0.00 O ATOM 1492 CB TYR A 102 7.192 1.958 0.002 1.00 0.00 C ATOM 1493 CG TYR A 102 8.693 2.142 0.003 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.473 1.650 1.042 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.331 2.807 -1.037 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.844 1.817 1.046 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.702 2.977 -1.042 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.454 2.480 0.003 1.00 0.00 C ATOM 1499 OH TYR A 102 12.820 2.647 0.003 1.00 0.00 O ATOM 0 H TYR A 102 7.961 -0.712 0.455 1.00 0.00 H new ATOM 0 HA TYR A 102 5.667 0.672 -0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.735 2.774 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.825 2.029 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.999 1.128 1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.745 3.198 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.435 1.430 1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.182 3.496 -1.859 1.00 0.00 H new ATOM 0 HH TYR A 102 13.090 3.134 -0.804 1.00 0.00 H new ATOM 1509 N PHE A 103 6.901 0.900 -3.002 1.00 0.00 N ATOM 1510 CA PHE A 103 7.493 0.735 -4.324 1.00 0.00 C ATOM 1511 C PHE A 103 8.666 1.691 -4.519 1.00 0.00 C ATOM 1512 O PHE A 103 8.488 2.909 -4.561 1.00 0.00 O ATOM 1513 CB PHE A 103 6.441 0.972 -5.410 1.00 0.00 C ATOM 1514 CG PHE A 103 6.866 0.498 -6.770 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.962 1.061 -7.404 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.170 -0.512 -7.415 1.00 0.00 C ATOM 1517 CE1 PHE A 103 8.356 0.626 -8.656 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.559 -0.951 -8.667 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.653 -0.380 -9.288 1.00 0.00 C ATOM 0 H PHE A 103 6.037 1.441 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 103 7.864 -0.287 -4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.519 0.463 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.215 2.037 -5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.515 1.849 -6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.314 -0.961 -6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 103 9.213 1.073 -9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.008 -1.739 -9.159 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.958 -0.720 -10.267 1.00 0.00 H new ATOM 1529 N ASP A 104 9.865 1.131 -4.637 1.00 0.00 N ATOM 1530 CA ASP A 104 11.068 1.932 -4.827 1.00 0.00 C ATOM 1531 C ASP A 104 11.305 2.213 -6.308 1.00 0.00 C ATOM 1532 O ASP A 104 12.013 1.470 -6.986 1.00 0.00 O ATOM 1533 CB ASP A 104 12.282 1.219 -4.230 1.00 0.00 C ATOM 1534 CG ASP A 104 13.376 2.184 -3.817 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.255 3.387 -4.130 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.352 1.736 -3.180 1.00 0.00 O ATOM 0 H ASP A 104 10.029 0.125 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 104 10.926 2.883 -4.313 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.968 0.638 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.680 0.514 -4.959 1.00 0.00 H new ATOM 1541 N GLY A 105 10.706 3.292 -6.804 1.00 0.00 N ATOM 1542 CA GLY A 105 10.863 3.651 -8.201 1.00 0.00 C ATOM 1543 C GLY A 105 12.315 3.843 -8.591 1.00 0.00 C ATOM 1544 O GLY A 105 12.757 3.348 -9.628 1.00 0.00 O ATOM 0 H GLY A 105 10.115 3.923 -6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.422 2.873 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.312 4.570 -8.401 1.00 0.00 H new ATOM 1602 N LYS A 110 13.424 -3.299 -11.662 1.00 0.00 N ATOM 1603 CA LYS A 110 11.993 -3.371 -11.395 1.00 0.00 C ATOM 1604 C LYS A 110 11.657 -4.599 -10.554 1.00 0.00 C ATOM 1605 O LYS A 110 10.710 -4.584 -9.768 1.00 0.00 O ATOM 1606 CB LYS A 110 11.210 -3.411 -12.709 1.00 0.00 C ATOM 1607 CG LYS A 110 11.568 -4.591 -13.596 1.00 0.00 C ATOM 1608 CD LYS A 110 10.439 -4.933 -14.553 1.00 0.00 C ATOM 1609 CE LYS A 110 9.431 -5.875 -13.913 1.00 0.00 C ATOM 1610 NZ LYS A 110 9.790 -7.304 -14.132 1.00 0.00 N ATOM 0 HA LYS A 110 11.708 -2.480 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.144 -3.446 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.391 -2.487 -13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.470 -4.360 -14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.795 -5.458 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.936 -4.018 -14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.849 -5.394 -15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.375 -5.675 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.441 -5.682 -14.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.079 -7.914 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.819 -7.502 -15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.724 -7.495 -13.716 1.00 0.00 H new ATOM 1624 N SER A 111 12.441 -5.659 -10.723 1.00 0.00 N ATOM 1625 CA SER A 111 12.225 -6.895 -9.981 1.00 0.00 C ATOM 1626 C SER A 111 12.708 -6.755 -8.540 1.00 0.00 C ATOM 1627 O SER A 111 12.562 -7.672 -7.732 1.00 0.00 O ATOM 1628 CB SER A 111 12.950 -8.057 -10.663 1.00 0.00 C ATOM 1629 OG SER A 111 14.355 -7.879 -10.617 1.00 0.00 O ATOM 0 H SER A 111 13.231 -5.686 -11.367 1.00 0.00 H new ATOM 0 HA SER A 111 11.155 -7.100 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.683 -8.994 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.624 -8.135 -11.700 1.00 0.00 H new ATOM 0 HG SER A 111 14.795 -8.636 -11.058 1.00 0.00 H new ATOM 1635 N LYS A 112 13.284 -5.600 -8.226 1.00 0.00 N ATOM 1636 CA LYS A 112 13.788 -5.336 -6.883 1.00 0.00 C ATOM 1637 C LYS A 112 13.321 -3.972 -6.385 1.00 0.00 C ATOM 1638 O LYS A 112 14.072 -3.247 -5.733 1.00 0.00 O ATOM 1639 CB LYS A 112 15.317 -5.400 -6.868 1.00 0.00 C ATOM 1640 CG LYS A 112 15.869 -6.796 -7.100 1.00 0.00 C ATOM 1641 CD LYS A 112 17.367 -6.851 -6.850 1.00 0.00 C ATOM 1642 CE LYS A 112 18.150 -6.300 -8.032 1.00 0.00 C ATOM 1643 NZ LYS A 112 19.567 -6.015 -7.674 1.00 0.00 N ATOM 0 H LYS A 112 13.414 -4.831 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 112 13.392 -6.102 -6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.708 -4.732 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.679 -5.030 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.363 -7.502 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.658 -7.106 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.609 -6.279 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.668 -7.882 -6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.120 -7.016 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.675 -5.386 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 20.067 -5.641 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.597 -5.313 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 20.028 -6.892 -7.358 1.00 0.00 H new ATOM 1657 N VAL A 113 12.074 -3.629 -6.694 1.00 0.00 N ATOM 1658 CA VAL A 113 11.506 -2.353 -6.276 1.00 0.00 C ATOM 1659 C VAL A 113 10.890 -2.456 -4.885 1.00 0.00 C ATOM 1660 O VAL A 113 10.850 -1.478 -4.139 1.00 0.00 O ATOM 1661 CB VAL A 113 10.432 -1.865 -7.266 1.00 0.00 C ATOM 1662 CG1 VAL A 113 11.048 -1.596 -8.631 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.304 -2.879 -7.371 1.00 0.00 C ATOM 0 H VAL A 113 11.438 -4.217 -7.232 1.00 0.00 H new ATOM 0 HA VAL A 113 12.324 -1.633 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 113 10.015 -0.930 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.275 -1.252 -9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.818 -0.830 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.494 -2.513 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.554 -2.518 -8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.702 -3.831 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.846 -3.016 -6.392 1.00 0.00 H new ATOM 1673 N TRP A 114 10.411 -3.647 -4.543 1.00 0.00 N ATOM 1674 CA TRP A 114 9.796 -3.878 -3.241 1.00 0.00 C ATOM 1675 C TRP A 114 10.814 -3.701 -2.119 1.00 0.00 C ATOM 1676 O TRP A 114 11.864 -4.345 -2.112 1.00 0.00 O ATOM 1677 CB TRP A 114 9.192 -5.282 -3.181 1.00 0.00 C ATOM 1678 CG TRP A 114 7.845 -5.377 -3.831 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.213 -4.404 -4.553 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.965 -6.505 -3.817 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.992 -4.861 -4.988 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.817 -6.147 -4.551 1.00 0.00 C ATOM 1683 CE3 TRP A 114 7.035 -7.784 -3.259 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.750 -7.022 -4.738 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.975 -8.652 -3.445 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.845 -8.268 -4.180 1.00 0.00 C ATOM 0 H TRP A 114 10.437 -4.467 -5.149 1.00 0.00 H new ATOM 0 HA TRP A 114 9.003 -3.143 -3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.872 -5.983 -3.665 1.00 0.00 H new ATOM 0 HB3 TRP A 114 9.107 -5.589 -2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.614 -3.421 -4.752 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.324 -4.329 -5.546 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.902 -8.089 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.878 -6.728 -5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 6.018 -9.643 -3.017 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.034 -8.969 -4.308 1.00 0.00 H new ATOM 1697 N THR A 115 10.498 -2.824 -1.171 1.00 0.00 N ATOM 1698 CA THR A 115 11.386 -2.563 -0.045 1.00 0.00 C ATOM 1699 C THR A 115 10.595 -2.342 1.239 1.00 0.00 C ATOM 1700 O THR A 115 9.625 -1.583 1.261 1.00 0.00 O ATOM 1701 CB THR A 115 12.275 -1.332 -0.305 1.00 0.00 C ATOM 1702 OG1 THR A 115 13.045 -1.526 -1.496 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.205 -1.078 0.871 1.00 0.00 C ATOM 0 H THR A 115 9.634 -2.283 -1.161 1.00 0.00 H new ATOM 0 HA THR A 115 12.020 -3.443 0.069 1.00 0.00 H new ATOM 0 HB THR A 115 11.628 -0.464 -0.430 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.606 -0.738 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.823 -0.204 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.615 -0.901 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.845 -1.947 1.023 1.00 0.00 H new ATOM 1711 N THR A 116 11.014 -3.010 2.309 1.00 0.00 N ATOM 1712 CA THR A 116 10.345 -2.888 3.598 1.00 0.00 C ATOM 1713 C THR A 116 10.836 -1.661 4.358 1.00 0.00 C ATOM 1714 O THR A 116 11.994 -1.262 4.231 1.00 0.00 O ATOM 1715 CB THR A 116 10.566 -4.139 4.467 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.962 -4.457 4.522 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.792 -5.326 3.915 1.00 0.00 C ATOM 0 H THR A 116 11.815 -3.642 2.308 1.00 0.00 H new ATOM 0 HA THR A 116 9.280 -2.782 3.392 1.00 0.00 H new ATOM 0 HB THR A 116 10.202 -3.925 5.472 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.184 -5.080 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.964 -6.198 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.727 -5.092 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.129 -5.540 2.901 1.00 0.00 H new ATOM 1725 N ASP A 117 9.949 -1.067 5.149 1.00 0.00 N ATOM 1726 CA ASP A 117 10.293 0.114 5.932 1.00 0.00 C ATOM 1727 C ASP A 117 9.222 0.404 6.979 1.00 0.00 C ATOM 1728 O ASP A 117 8.146 -0.196 6.964 1.00 0.00 O ATOM 1729 CB ASP A 117 10.469 1.326 5.016 1.00 0.00 C ATOM 1730 CG ASP A 117 11.910 1.522 4.585 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.791 0.818 5.121 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.156 2.380 3.711 1.00 0.00 O ATOM 0 H ASP A 117 8.986 -1.384 5.265 1.00 0.00 H new ATOM 0 HA ASP A 117 11.234 -0.083 6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.842 1.204 4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.122 2.221 5.532 1.00 0.00 H new ATOM 1737 N THR A 118 9.524 1.325 7.888 1.00 0.00 N ATOM 1738 CA THR A 118 8.588 1.693 8.943 1.00 0.00 C ATOM 1739 C THR A 118 7.310 2.287 8.363 1.00 0.00 C ATOM 1740 O THR A 118 7.331 2.918 7.305 1.00 0.00 O ATOM 1741 CB THR A 118 9.214 2.705 9.921 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.300 2.986 10.987 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.577 3.997 9.204 1.00 0.00 C ATOM 0 H THR A 118 10.410 1.830 7.915 1.00 0.00 H new ATOM 0 HA THR A 118 8.346 0.778 9.484 1.00 0.00 H new ATOM 0 HB THR A 118 10.124 2.266 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.706 3.629 11.605 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.017 4.696 9.915 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.295 3.784 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.679 4.437 8.771 1.00 0.00 H new ATOM 1751 N CYS A 119 6.198 2.083 9.061 1.00 0.00 N ATOM 1752 CA CYS A 119 4.909 2.599 8.616 1.00 0.00 C ATOM 1753 C CYS A 119 4.655 3.992 9.184 1.00 0.00 C ATOM 1754 O CYS A 119 3.509 4.392 9.386 1.00 0.00 O ATOM 1755 CB CYS A 119 3.784 1.652 9.036 1.00 0.00 C ATOM 1756 SG CYS A 119 4.142 -0.109 8.733 1.00 0.00 S ATOM 0 H CYS A 119 6.164 1.563 9.938 1.00 0.00 H new ATOM 0 HA CYS A 119 4.930 2.668 7.528 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.582 1.793 10.098 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.875 1.924 8.500 1.00 0.00 H new ATOM 1761 N ALA A 120 5.733 4.727 9.440 1.00 0.00 N ATOM 1762 CA ALA A 120 5.627 6.075 9.982 1.00 0.00 C ATOM 1763 C ALA A 120 6.173 7.107 9.000 1.00 0.00 C ATOM 1764 O ALA A 120 5.770 8.270 9.017 1.00 0.00 O ATOM 1765 CB ALA A 120 6.362 6.169 11.311 1.00 0.00 C ATOM 0 H ALA A 120 6.689 4.411 9.280 1.00 0.00 H new ATOM 0 HA ALA A 120 4.571 6.291 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.274 7.182 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.924 5.465 12.019 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.414 5.927 11.163 1.00 0.00 H new ATOM 1771 N THR A 121 7.094 6.673 8.145 1.00 0.00 N ATOM 1772 CA THR A 121 7.696 7.559 7.157 1.00 0.00 C ATOM 1773 C THR A 121 6.644 8.118 6.205 1.00 0.00 C ATOM 1774 O THR A 121 5.950 7.380 5.506 1.00 0.00 O ATOM 1775 CB THR A 121 8.779 6.833 6.337 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.882 6.486 7.181 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.266 7.705 5.190 1.00 0.00 C ATOM 0 H THR A 121 7.439 5.714 8.117 1.00 0.00 H new ATOM 0 HA THR A 121 8.156 8.379 7.708 1.00 0.00 H new ATOM 0 HB THR A 121 8.341 5.926 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.565 6.023 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.030 7.171 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.429 7.943 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.688 8.628 5.588 1.00 0.00 H new ATOM 1785 N PRO A 122 6.521 9.453 6.176 1.00 0.00 N ATOM 1786 CA PRO A 122 5.556 10.141 5.313 1.00 0.00 C ATOM 1787 C PRO A 122 5.927 10.044 3.837 1.00 0.00 C ATOM 1788 O PRO A 122 6.889 10.668 3.387 1.00 0.00 O ATOM 1789 CB PRO A 122 5.627 11.594 5.788 1.00 0.00 C ATOM 1790 CG PRO A 122 6.988 11.733 6.380 1.00 0.00 C ATOM 1791 CD PRO A 122 7.315 10.395 6.983 1.00 0.00 C ATOM 0 HA PRO A 122 4.560 9.703 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.482 12.289 4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 122 4.852 11.808 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.719 12.007 5.619 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.006 12.517 7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.381 10.177 6.922 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.041 10.351 8.037 1.00 0.00 H new ATOM 1799 N ARG A 123 5.159 9.260 3.088 1.00 0.00 N ATOM 1800 CA ARG A 123 5.408 9.082 1.663 1.00 0.00 C ATOM 1801 C ARG A 123 4.098 9.062 0.880 1.00 0.00 C ATOM 1802 O ARG A 123 3.020 8.838 1.432 1.00 0.00 O ATOM 1803 CB ARG A 123 6.181 7.786 1.416 1.00 0.00 C ATOM 1804 CG ARG A 123 7.690 7.960 1.457 1.00 0.00 C ATOM 1805 CD ARG A 123 8.405 6.774 0.828 1.00 0.00 C ATOM 1806 NE ARG A 123 9.745 6.587 1.379 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.748 7.433 1.175 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.564 8.519 0.436 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.938 7.194 1.710 1.00 0.00 N ATOM 0 H ARG A 123 4.359 8.738 3.445 1.00 0.00 H new ATOM 0 HA ARG A 123 6.006 9.925 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.888 7.050 2.165 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.896 7.383 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.966 8.874 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.016 8.076 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.818 5.870 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.474 6.922 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 123 9.920 5.761 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.650 8.706 0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.336 9.167 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.083 6.360 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.708 7.844 1.553 1.00 0.00 H new ATOM 1823 N PRO A 124 4.191 9.303 -0.436 1.00 0.00 N ATOM 1824 CA PRO A 124 3.023 9.318 -1.322 1.00 0.00 C ATOM 1825 C PRO A 124 2.427 7.929 -1.519 1.00 0.00 C ATOM 1826 O PRO A 124 3.100 6.919 -1.315 1.00 0.00 O ATOM 1827 CB PRO A 124 3.587 9.850 -2.642 1.00 0.00 C ATOM 1828 CG PRO A 124 5.034 9.498 -2.605 1.00 0.00 C ATOM 1829 CD PRO A 124 5.443 9.578 -1.160 1.00 0.00 C ATOM 0 HA PRO A 124 2.211 9.920 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.090 9.393 -3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.444 10.927 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.203 8.498 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.619 10.187 -3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.215 8.847 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.845 10.560 -0.910 1.00 0.00 H new ATOM 1837 N PHE A 125 1.159 7.885 -1.917 1.00 0.00 N ATOM 1838 CA PHE A 125 0.472 6.619 -2.141 1.00 0.00 C ATOM 1839 C PHE A 125 -0.479 6.719 -3.330 1.00 0.00 C ATOM 1840 O PHE A 125 -0.588 7.769 -3.964 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.302 6.206 -0.888 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.059 7.336 -0.250 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.384 8.408 0.312 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.444 7.327 -0.214 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.078 9.449 0.899 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.143 8.366 0.371 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.458 9.429 0.928 1.00 0.00 C ATOM 0 H PHE A 125 0.587 8.712 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 125 1.223 5.861 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.002 5.412 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.395 5.790 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.696 8.430 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.984 6.498 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.541 10.278 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.223 8.347 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.001 10.243 1.385 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.164 5.620 -3.626 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.106 5.584 -4.738 1.00 0.00 C ATOM 1859 C ILE A 126 -3.394 4.868 -4.345 1.00 0.00 C ATOM 1860 O ILE A 126 -3.371 3.706 -3.936 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.498 4.884 -5.968 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.264 5.645 -6.457 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.532 4.772 -7.079 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.405 5.006 -7.654 1.00 0.00 C ATOM 0 H ILE A 126 -1.085 4.743 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.332 6.619 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.192 3.878 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.554 6.664 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.457 5.714 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.087 4.275 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.384 4.192 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.866 5.769 -7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.272 5.599 -7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.726 3.997 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.300 4.961 -8.484 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.516 5.567 -4.473 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.815 4.999 -4.133 1.00 0.00 C ATOM 1878 C CYS A 127 -6.455 4.337 -5.350 1.00 0.00 C ATOM 1879 O CYS A 127 -6.337 4.832 -6.471 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.742 6.085 -3.583 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.907 7.306 -2.520 1.00 0.00 S ATOM 0 H CYS A 127 -4.552 6.529 -4.810 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.662 4.239 -3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.210 6.606 -4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.542 5.611 -3.015 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.132 3.217 -5.120 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.790 2.488 -6.197 1.00 0.00 C ATOM 1888 C GLN A 128 -9.273 2.294 -5.897 1.00 0.00 C ATOM 1889 O GLN A 128 -9.669 2.147 -4.741 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.118 1.130 -6.407 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.820 0.256 -7.434 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.314 -1.173 -7.428 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -6.107 -1.416 -7.450 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -8.237 -2.128 -7.399 1.00 0.00 N ATOM 0 H GLN A 128 -7.239 2.795 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.697 3.077 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.087 1.289 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -7.083 0.600 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.892 0.259 -7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.678 0.683 -8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.226 -1.881 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.956 -3.109 -7.394 1.00 0.00 H new