USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= -6.02! C(o=-13!,f=-20!) USER MOD Set 1.2: A 57 HIS : no HE2:sc= -6.87! C(o=-13!,f=-15!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.324 X(o=0.32,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0435 X(o=-0.044,f=-0.34) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -69:sc= 1.33 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.0312 (180deg=-0.18) USER MOD Single : A 36 ASN : amide:sc= -0.368 K(o=-0.37,f=-2.1) USER MOD Single : A 37 TYR OH : rot 2:sc= 0.0229 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.519 F(o=-1.8,f=-0.52) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.792 K(o=0.79,f=-0.084) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.0368 (180deg=-0.327) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.75 F(o=-2.7!,f=-1.8) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.866 16.825 2.217 1.00 0.00 N ATOM 84 CA VAL A 2 -2.601 16.047 3.207 1.00 0.00 C ATOM 85 C VAL A 2 -2.067 14.622 3.293 1.00 0.00 C ATOM 86 O VAL A 2 -2.047 13.893 2.300 1.00 0.00 O ATOM 87 CB VAL A 2 -4.106 16.002 2.880 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.848 15.153 3.900 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.681 17.409 2.823 1.00 0.00 C ATOM 0 HA VAL A 2 -2.460 16.542 4.168 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.234 15.543 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.909 15.133 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.452 14.137 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.715 15.579 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.745 17.358 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.543 17.898 3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.168 17.981 2.050 1.00 0.00 H new ATOM 99 N LYS A 3 -1.636 14.229 4.486 1.00 0.00 N ATOM 100 CA LYS A 3 -1.103 12.889 4.705 1.00 0.00 C ATOM 101 C LYS A 3 -2.226 11.858 4.751 1.00 0.00 C ATOM 102 O LYS A 3 -3.376 12.190 5.042 1.00 0.00 O ATOM 103 CB LYS A 3 -0.300 12.843 6.007 1.00 0.00 C ATOM 104 CG LYS A 3 0.358 11.499 6.269 1.00 0.00 C ATOM 105 CD LYS A 3 1.579 11.641 7.162 1.00 0.00 C ATOM 106 CE LYS A 3 1.188 11.747 8.628 1.00 0.00 C ATOM 107 NZ LYS A 3 2.260 12.380 9.444 1.00 0.00 N ATOM 0 H LYS A 3 -1.645 14.820 5.318 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.444 12.646 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.469 13.615 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.961 13.083 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.360 10.826 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.649 11.045 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.236 10.783 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.144 12.526 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.271 12.330 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.973 10.753 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.955 12.434 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.128 11.811 9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.448 13.339 9.087 1.00 0.00 H new ATOM 121 N LEU A 4 -1.886 10.606 4.464 1.00 0.00 N ATOM 122 CA LEU A 4 -2.865 9.525 4.475 1.00 0.00 C ATOM 123 C LEU A 4 -2.274 8.260 5.089 1.00 0.00 C ATOM 124 O LEU A 4 -1.267 7.738 4.612 1.00 0.00 O ATOM 125 CB LEU A 4 -3.351 9.236 3.053 1.00 0.00 C ATOM 126 CG LEU A 4 -4.100 10.373 2.356 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.128 10.149 0.852 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.513 10.496 2.906 1.00 0.00 C ATOM 0 H LEU A 4 -0.939 10.315 4.221 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.711 9.841 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.488 8.968 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.003 8.363 3.084 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.573 11.306 2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.665 10.967 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.108 10.111 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.632 9.207 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.031 11.310 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.051 9.563 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.470 10.704 3.975 1.00 0.00 H new ATOM 140 N PHE A 5 -2.908 7.772 6.150 1.00 0.00 N ATOM 141 CA PHE A 5 -2.446 6.567 6.829 1.00 0.00 C ATOM 142 C PHE A 5 -2.956 5.315 6.123 1.00 0.00 C ATOM 143 O PHE A 5 -4.145 5.200 5.824 1.00 0.00 O ATOM 144 CB PHE A 5 -2.909 6.569 8.288 1.00 0.00 C ATOM 145 CG PHE A 5 -2.908 5.206 8.919 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.715 4.573 9.229 1.00 0.00 C ATOM 147 CD2 PHE A 5 -4.099 4.558 9.201 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.711 3.318 9.810 1.00 0.00 C ATOM 149 CE2 PHE A 5 -4.101 3.304 9.782 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.905 2.683 10.086 1.00 0.00 C ATOM 0 H PHE A 5 -3.743 8.192 6.558 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.356 6.559 6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.261 7.228 8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.915 6.984 8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.778 5.065 9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.037 5.038 8.964 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.775 2.835 10.048 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.037 2.810 9.998 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.904 1.702 10.539 1.00 0.00 H new ATOM 160 N ILE A 6 -2.050 4.380 5.861 1.00 0.00 N ATOM 161 CA ILE A 6 -2.408 3.136 5.191 1.00 0.00 C ATOM 162 C ILE A 6 -1.897 1.927 5.967 1.00 0.00 C ATOM 163 O ILE A 6 -0.716 1.590 5.905 1.00 0.00 O ATOM 164 CB ILE A 6 -1.846 3.086 3.757 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.228 4.355 2.992 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.355 1.850 3.031 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.858 4.312 1.526 1.00 0.00 C ATOM 0 H ILE A 6 -1.062 4.460 6.102 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.497 3.104 5.147 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.759 3.030 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.302 4.514 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.739 5.211 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.949 1.829 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.037 0.956 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.444 1.878 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.159 5.244 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.780 4.184 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.368 3.477 1.046 1.00 0.00 H new ATOM 179 N GLY A 7 -2.798 1.275 6.697 1.00 0.00 N ATOM 180 CA GLY A 7 -2.420 0.109 7.473 1.00 0.00 C ATOM 181 C GLY A 7 -2.826 -1.189 6.805 1.00 0.00 C ATOM 182 O GLY A 7 -3.640 -1.192 5.883 1.00 0.00 O ATOM 0 H GLY A 7 -3.782 1.534 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.341 0.113 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.882 0.167 8.458 1.00 0.00 H new ATOM 186 N ASN A 8 -2.255 -2.296 7.269 1.00 0.00 N ATOM 187 CA ASN A 8 -2.560 -3.607 6.708 1.00 0.00 C ATOM 188 C ASN A 8 -2.027 -3.726 5.283 1.00 0.00 C ATOM 189 O ASN A 8 -2.773 -4.036 4.353 1.00 0.00 O ATOM 190 CB ASN A 8 -4.070 -3.851 6.721 1.00 0.00 C ATOM 191 CG ASN A 8 -4.417 -5.322 6.854 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.027 -5.740 7.838 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.028 -6.113 5.861 1.00 0.00 N ATOM 0 H ASN A 8 -1.578 -2.311 8.032 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.071 -4.361 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.517 -3.299 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.507 -3.459 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.233 -7.112 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.525 -5.722 5.065 1.00 0.00 H new ATOM 200 N LEU A 9 -0.732 -3.479 5.120 1.00 0.00 N ATOM 201 CA LEU A 9 -0.098 -3.559 3.808 1.00 0.00 C ATOM 202 C LEU A 9 0.531 -4.932 3.591 1.00 0.00 C ATOM 203 O LEU A 9 1.104 -5.531 4.501 1.00 0.00 O ATOM 204 CB LEU A 9 0.968 -2.470 3.668 1.00 0.00 C ATOM 205 CG LEU A 9 0.450 -1.054 3.413 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.560 -0.035 3.619 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.126 -0.941 2.008 1.00 0.00 C ATOM 0 H LEU A 9 -0.101 -3.222 5.879 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.866 -3.407 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.568 -2.458 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.634 -2.745 2.850 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.346 -0.845 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.173 0.967 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.926 -0.098 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.377 -0.242 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.490 0.073 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.649 -1.171 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.951 -1.645 1.895 1.00 0.00 H new ATOM 219 N PRO A 10 0.423 -5.443 2.355 1.00 0.00 N ATOM 220 CA PRO A 10 0.977 -6.750 1.988 1.00 0.00 C ATOM 221 C PRO A 10 2.484 -6.698 1.764 1.00 0.00 C ATOM 222 O PRO A 10 3.078 -5.620 1.718 1.00 0.00 O ATOM 223 CB PRO A 10 0.253 -7.087 0.682 1.00 0.00 C ATOM 224 CG PRO A 10 -0.081 -5.766 0.082 1.00 0.00 C ATOM 225 CD PRO A 10 -0.247 -4.784 1.221 1.00 0.00 C ATOM 0 HA PRO A 10 0.832 -7.490 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.887 -7.674 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.645 -7.676 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.709 -5.440 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.997 -5.831 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.211 -3.822 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.299 -4.593 1.434 1.00 0.00 H new ATOM 233 N ARG A 11 3.098 -7.869 1.624 1.00 0.00 N ATOM 234 CA ARG A 11 4.536 -7.956 1.405 1.00 0.00 C ATOM 235 C ARG A 11 4.896 -7.537 -0.018 1.00 0.00 C ATOM 236 O ARG A 11 5.982 -7.014 -0.265 1.00 0.00 O ATOM 237 CB ARG A 11 5.028 -9.380 1.668 1.00 0.00 C ATOM 238 CG ARG A 11 6.498 -9.457 2.047 1.00 0.00 C ATOM 239 CD ARG A 11 7.048 -10.863 1.867 1.00 0.00 C ATOM 240 NE ARG A 11 6.568 -11.775 2.903 1.00 0.00 N ATOM 241 CZ ARG A 11 6.794 -13.084 2.892 1.00 0.00 C ATOM 242 NH1 ARG A 11 7.488 -13.632 1.904 1.00 0.00 N ATOM 243 NH2 ARG A 11 6.325 -13.847 3.871 1.00 0.00 N ATOM 0 H ARG A 11 2.621 -8.770 1.658 1.00 0.00 H new ATOM 0 HA ARG A 11 5.026 -7.275 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.432 -9.819 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.859 -9.984 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.070 -8.760 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.624 -9.146 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.759 -11.243 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.137 -10.832 1.888 1.00 0.00 H new ATOM 0 HE ARG A 11 6.030 -11.385 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.850 -13.048 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.660 -14.637 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.791 -13.428 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.499 -14.852 3.862 1.00 0.00 H new ATOM 257 N GLU A 12 3.977 -7.772 -0.949 1.00 0.00 N ATOM 258 CA GLU A 12 4.199 -7.421 -2.347 1.00 0.00 C ATOM 259 C GLU A 12 4.017 -5.921 -2.566 1.00 0.00 C ATOM 260 O GLU A 12 4.541 -5.356 -3.525 1.00 0.00 O ATOM 261 CB GLU A 12 3.240 -8.199 -3.250 1.00 0.00 C ATOM 262 CG GLU A 12 3.369 -9.707 -3.118 1.00 0.00 C ATOM 263 CD GLU A 12 4.802 -10.185 -3.253 1.00 0.00 C ATOM 264 OE1 GLU A 12 5.542 -9.611 -4.080 1.00 0.00 O ATOM 265 OE2 GLU A 12 5.183 -11.132 -2.535 1.00 0.00 O ATOM 0 H GLU A 12 3.072 -8.204 -0.761 1.00 0.00 H new ATOM 0 HA GLU A 12 5.224 -7.687 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.216 -7.908 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.421 -7.917 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.976 -10.018 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.756 -10.188 -3.880 1.00 0.00 H new ATOM 272 N ALA A 13 3.271 -5.284 -1.669 1.00 0.00 N ATOM 273 CA ALA A 13 3.021 -3.852 -1.763 1.00 0.00 C ATOM 274 C ALA A 13 4.326 -3.074 -1.891 1.00 0.00 C ATOM 275 O ALA A 13 5.319 -3.392 -1.234 1.00 0.00 O ATOM 276 CB ALA A 13 2.236 -3.372 -0.551 1.00 0.00 C ATOM 0 H ALA A 13 2.830 -5.738 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 13 2.430 -3.670 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.057 -2.300 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.282 -3.897 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.806 -3.574 0.355 1.00 0.00 H new ATOM 282 N THR A 14 4.320 -2.052 -2.741 1.00 0.00 N ATOM 283 CA THR A 14 5.504 -1.230 -2.957 1.00 0.00 C ATOM 284 C THR A 14 5.154 0.254 -2.938 1.00 0.00 C ATOM 285 O THR A 14 3.989 0.627 -3.069 1.00 0.00 O ATOM 286 CB THR A 14 6.187 -1.567 -4.296 1.00 0.00 C ATOM 287 OG1 THR A 14 5.253 -1.423 -5.372 1.00 0.00 O ATOM 288 CG2 THR A 14 6.736 -2.986 -4.281 1.00 0.00 C ATOM 0 H THR A 14 3.508 -1.774 -3.291 1.00 0.00 H new ATOM 0 HA THR A 14 6.193 -1.449 -2.141 1.00 0.00 H new ATOM 0 HB THR A 14 7.016 -0.875 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.695 -1.637 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.214 -3.201 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.468 -3.085 -3.479 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.920 -3.690 -4.116 1.00 0.00 H new ATOM 296 N GLU A 15 6.171 1.095 -2.775 1.00 0.00 N ATOM 297 CA GLU A 15 5.968 2.539 -2.739 1.00 0.00 C ATOM 298 C GLU A 15 5.247 3.018 -3.996 1.00 0.00 C ATOM 299 O GLU A 15 4.291 3.790 -3.918 1.00 0.00 O ATOM 300 CB GLU A 15 7.310 3.261 -2.602 1.00 0.00 C ATOM 301 CG GLU A 15 8.009 3.000 -1.278 1.00 0.00 C ATOM 302 CD GLU A 15 7.576 3.963 -0.190 1.00 0.00 C ATOM 303 OE1 GLU A 15 6.388 4.349 -0.176 1.00 0.00 O ATOM 304 OE2 GLU A 15 8.425 4.331 0.649 1.00 0.00 O ATOM 0 H GLU A 15 7.142 0.802 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 15 5.348 2.772 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.965 2.951 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.149 4.333 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.802 1.979 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.087 3.078 -1.419 1.00 0.00 H new ATOM 311 N GLN A 16 5.713 2.556 -5.151 1.00 0.00 N ATOM 312 CA GLN A 16 5.113 2.939 -6.424 1.00 0.00 C ATOM 313 C GLN A 16 3.632 2.574 -6.460 1.00 0.00 C ATOM 314 O GLN A 16 2.769 3.451 -6.469 1.00 0.00 O ATOM 315 CB GLN A 16 5.845 2.259 -7.582 1.00 0.00 C ATOM 316 CG GLN A 16 5.793 3.046 -8.881 1.00 0.00 C ATOM 317 CD GLN A 16 6.981 2.768 -9.781 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.130 2.800 -9.339 1.00 0.00 O ATOM 319 NE2 GLN A 16 6.711 2.493 -11.051 1.00 0.00 N ATOM 0 H GLN A 16 6.503 1.916 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 16 5.205 4.020 -6.529 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.887 2.105 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.410 1.273 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.874 2.801 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.755 4.112 -8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.744 2.477 -11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.471 2.298 -11.703 1.00 0.00 H new ATOM 328 N GLU A 17 3.348 1.276 -6.479 1.00 0.00 N ATOM 329 CA GLU A 17 1.971 0.797 -6.515 1.00 0.00 C ATOM 330 C GLU A 17 1.053 1.720 -5.719 1.00 0.00 C ATOM 331 O GLU A 17 0.012 2.156 -6.213 1.00 0.00 O ATOM 332 CB GLU A 17 1.888 -0.626 -5.959 1.00 0.00 C ATOM 333 CG GLU A 17 2.278 -1.696 -6.965 1.00 0.00 C ATOM 334 CD GLU A 17 1.560 -1.541 -8.291 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.314 -1.449 -8.284 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.243 -1.511 -9.336 1.00 0.00 O ATOM 0 H GLU A 17 4.052 0.538 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 17 1.642 0.793 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.537 -0.705 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.870 -0.815 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.354 -1.657 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.056 -2.679 -6.549 1.00 0.00 H new ATOM 343 N ILE A 18 1.445 2.014 -4.484 1.00 0.00 N ATOM 344 CA ILE A 18 0.659 2.885 -3.620 1.00 0.00 C ATOM 345 C ILE A 18 0.525 4.280 -4.220 1.00 0.00 C ATOM 346 O ILE A 18 -0.558 4.684 -4.643 1.00 0.00 O ATOM 347 CB ILE A 18 1.284 3.000 -2.217 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.369 1.621 -1.558 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.476 3.957 -1.353 1.00 0.00 C ATOM 350 CD1 ILE A 18 0.032 1.092 -1.090 1.00 0.00 C ATOM 0 H ILE A 18 2.303 1.661 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.329 2.433 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 18 2.294 3.397 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.802 0.915 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.047 1.675 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.931 4.027 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.463 4.943 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.545 3.587 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.168 0.112 -0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.394 1.777 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.643 1.005 -1.941 1.00 0.00 H new ATOM 362 N ARG A 19 1.634 5.012 -4.256 1.00 0.00 N ATOM 363 CA ARG A 19 1.642 6.362 -4.806 1.00 0.00 C ATOM 364 C ARG A 19 0.755 6.449 -6.044 1.00 0.00 C ATOM 365 O ARG A 19 -0.070 7.355 -6.167 1.00 0.00 O ATOM 366 CB ARG A 19 3.069 6.785 -5.156 1.00 0.00 C ATOM 367 CG ARG A 19 3.137 7.946 -6.134 1.00 0.00 C ATOM 368 CD ARG A 19 3.170 7.460 -7.575 1.00 0.00 C ATOM 369 NE ARG A 19 3.619 8.502 -8.494 1.00 0.00 N ATOM 370 CZ ARG A 19 4.060 8.258 -9.723 1.00 0.00 C ATOM 371 NH1 ARG A 19 4.111 7.014 -10.178 1.00 0.00 N ATOM 372 NH2 ARG A 19 4.452 9.260 -10.500 1.00 0.00 N ATOM 0 H ARG A 19 2.539 4.692 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 19 1.246 7.039 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.592 7.061 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.598 5.932 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.275 8.597 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.026 8.543 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.833 6.599 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.175 7.123 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 19 3.593 9.470 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.811 6.241 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.450 6.830 -11.122 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.415 10.219 -10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.790 9.071 -11.444 1.00 0.00 H new ATOM 386 N SER A 20 0.932 5.502 -6.960 1.00 0.00 N ATOM 387 CA SER A 20 0.151 5.475 -8.192 1.00 0.00 C ATOM 388 C SER A 20 -1.344 5.490 -7.888 1.00 0.00 C ATOM 389 O SER A 20 -2.065 6.398 -8.304 1.00 0.00 O ATOM 390 CB SER A 20 0.503 4.235 -9.016 1.00 0.00 C ATOM 391 OG SER A 20 0.331 4.477 -10.401 1.00 0.00 O ATOM 0 H SER A 20 1.609 4.744 -6.873 1.00 0.00 H new ATOM 0 HA SER A 20 0.396 6.367 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.535 3.945 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.126 3.400 -8.709 1.00 0.00 H new ATOM 0 HG SER A 20 0.564 3.670 -10.906 1.00 0.00 H new ATOM 397 N LEU A 21 -1.803 4.479 -7.159 1.00 0.00 N ATOM 398 CA LEU A 21 -3.212 4.374 -6.798 1.00 0.00 C ATOM 399 C LEU A 21 -3.795 5.746 -6.473 1.00 0.00 C ATOM 400 O LEU A 21 -4.947 6.035 -6.796 1.00 0.00 O ATOM 401 CB LEU A 21 -3.384 3.438 -5.600 1.00 0.00 C ATOM 402 CG LEU A 21 -3.347 1.941 -5.907 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.127 1.140 -4.634 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.631 1.506 -6.598 1.00 0.00 C ATOM 0 H LEU A 21 -1.220 3.720 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.750 3.964 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.600 3.659 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.335 3.667 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.512 1.749 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.104 0.077 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.180 1.431 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.940 1.337 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.587 0.438 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.482 1.713 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.746 2.056 -7.532 1.00 0.00 H new ATOM 416 N PHE A 22 -2.990 6.589 -5.835 1.00 0.00 N ATOM 417 CA PHE A 22 -3.425 7.932 -5.468 1.00 0.00 C ATOM 418 C PHE A 22 -3.336 8.877 -6.662 1.00 0.00 C ATOM 419 O PHE A 22 -4.195 9.739 -6.848 1.00 0.00 O ATOM 420 CB PHE A 22 -2.575 8.468 -4.314 1.00 0.00 C ATOM 421 CG PHE A 22 -2.891 7.832 -2.991 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.953 8.285 -2.225 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.125 6.781 -2.512 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.245 7.702 -1.007 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.413 6.194 -1.294 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.475 6.654 -0.541 1.00 0.00 C ATOM 0 H PHE A 22 -2.033 6.366 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.466 7.876 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.522 8.306 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.722 9.545 -4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.559 9.103 -2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.294 6.416 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.075 8.065 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.808 5.376 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.703 6.196 0.410 1.00 0.00 H new ATOM 436 N GLU A 23 -2.292 8.709 -7.467 1.00 0.00 N ATOM 437 CA GLU A 23 -2.091 9.548 -8.642 1.00 0.00 C ATOM 438 C GLU A 23 -3.372 9.648 -9.465 1.00 0.00 C ATOM 439 O GLU A 23 -3.672 10.694 -10.040 1.00 0.00 O ATOM 440 CB GLU A 23 -0.958 8.991 -9.507 1.00 0.00 C ATOM 441 CG GLU A 23 0.428 9.292 -8.962 1.00 0.00 C ATOM 442 CD GLU A 23 1.470 9.417 -10.057 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.687 8.427 -10.786 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.068 10.506 -10.184 1.00 0.00 O ATOM 0 H GLU A 23 -1.573 8.000 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.820 10.547 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.078 7.911 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.042 9.405 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.396 10.218 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.723 8.501 -8.273 1.00 0.00 H new ATOM 451 N GLN A 24 -4.122 8.552 -9.517 1.00 0.00 N ATOM 452 CA GLN A 24 -5.370 8.516 -10.270 1.00 0.00 C ATOM 453 C GLN A 24 -6.356 9.552 -9.739 1.00 0.00 C ATOM 454 O GLN A 24 -7.170 10.091 -10.490 1.00 0.00 O ATOM 455 CB GLN A 24 -5.991 7.120 -10.201 1.00 0.00 C ATOM 456 CG GLN A 24 -5.177 6.056 -10.919 1.00 0.00 C ATOM 457 CD GLN A 24 -5.817 4.684 -10.847 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.983 4.009 -11.863 1.00 0.00 O ATOM 459 NE2 GLN A 24 -6.181 4.263 -9.641 1.00 0.00 N ATOM 0 H GLN A 24 -3.887 7.678 -9.047 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.146 8.755 -11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.106 6.834 -9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.991 7.154 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.055 6.341 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.179 6.011 -10.482 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.025 4.855 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.617 3.347 -9.530 1.00 0.00 H new ATOM 468 N TYR A 25 -6.279 9.824 -8.442 1.00 0.00 N ATOM 469 CA TYR A 25 -7.167 10.793 -7.810 1.00 0.00 C ATOM 470 C TYR A 25 -6.377 11.975 -7.255 1.00 0.00 C ATOM 471 O TYR A 25 -6.775 12.594 -6.269 1.00 0.00 O ATOM 472 CB TYR A 25 -7.967 10.128 -6.689 1.00 0.00 C ATOM 473 CG TYR A 25 -8.379 8.707 -7.000 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.485 7.654 -6.849 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.663 8.417 -7.445 1.00 0.00 C ATOM 476 CE1 TYR A 25 -7.858 6.355 -7.133 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.045 7.120 -7.731 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.138 6.093 -7.573 1.00 0.00 C ATOM 479 OH TYR A 25 -9.513 4.799 -7.856 1.00 0.00 O ATOM 0 H TYR A 25 -5.611 9.387 -7.807 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.857 11.164 -8.568 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.371 10.133 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.860 10.721 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.482 7.855 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.375 9.219 -7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.150 5.548 -7.011 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.047 6.912 -8.076 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.447 4.787 -8.153 1.00 0.00 H new ATOM 489 N GLY A 26 -5.254 12.282 -7.897 1.00 0.00 N ATOM 490 CA GLY A 26 -4.426 13.388 -7.454 1.00 0.00 C ATOM 491 C GLY A 26 -2.970 12.997 -7.301 1.00 0.00 C ATOM 492 O GLY A 26 -2.658 11.930 -6.772 1.00 0.00 O ATOM 0 H GLY A 26 -4.903 11.785 -8.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.506 14.207 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.801 13.760 -6.501 1.00 0.00 H new ATOM 496 N LYS A 27 -2.074 13.861 -7.766 1.00 0.00 N ATOM 497 CA LYS A 27 -0.642 13.601 -7.679 1.00 0.00 C ATOM 498 C LYS A 27 -0.234 13.278 -6.245 1.00 0.00 C ATOM 499 O LYS A 27 -0.963 13.576 -5.300 1.00 0.00 O ATOM 500 CB LYS A 27 0.148 14.810 -8.186 1.00 0.00 C ATOM 501 CG LYS A 27 1.647 14.572 -8.254 1.00 0.00 C ATOM 502 CD LYS A 27 2.393 15.830 -8.665 1.00 0.00 C ATOM 503 CE LYS A 27 3.874 15.734 -8.330 1.00 0.00 C ATOM 504 NZ LYS A 27 4.588 14.792 -9.237 1.00 0.00 N ATOM 0 H LYS A 27 -2.315 14.748 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.415 12.738 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.214 15.080 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.047 15.661 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.007 14.235 -7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.858 13.774 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.271 15.993 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.960 16.693 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.328 16.722 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.992 15.404 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.594 14.755 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.172 13.843 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.497 15.120 -10.220 1.00 0.00 H new ATOM 518 N VAL A 28 0.937 12.668 -6.091 1.00 0.00 N ATOM 519 CA VAL A 28 1.444 12.308 -4.773 1.00 0.00 C ATOM 520 C VAL A 28 2.767 13.007 -4.482 1.00 0.00 C ATOM 521 O VAL A 28 3.694 12.967 -5.292 1.00 0.00 O ATOM 522 CB VAL A 28 1.641 10.785 -4.644 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.184 10.431 -3.269 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.334 10.055 -4.915 1.00 0.00 C ATOM 0 H VAL A 28 1.552 12.413 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 28 0.698 12.633 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 28 2.370 10.466 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.316 9.351 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.144 10.925 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.482 10.762 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.491 8.981 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.419 10.377 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.008 10.284 -5.924 1.00 0.00 H new ATOM 534 N LEU A 29 2.848 13.647 -3.321 1.00 0.00 N ATOM 535 CA LEU A 29 4.059 14.355 -2.921 1.00 0.00 C ATOM 536 C LEU A 29 5.081 13.393 -2.324 1.00 0.00 C ATOM 537 O LEU A 29 6.160 13.194 -2.881 1.00 0.00 O ATOM 538 CB LEU A 29 3.722 15.452 -1.909 1.00 0.00 C ATOM 539 CG LEU A 29 2.594 16.406 -2.305 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.238 17.321 -1.144 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.989 17.221 -3.528 1.00 0.00 C ATOM 0 H LEU A 29 2.090 13.690 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 29 4.494 14.811 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.455 14.978 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.622 16.040 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 29 1.714 15.814 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.434 17.993 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.912 16.721 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.113 17.906 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.174 17.894 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.883 17.804 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.193 16.550 -4.362 1.00 0.00 H new ATOM 553 N GLU A 30 4.732 12.799 -1.187 1.00 0.00 N ATOM 554 CA GLU A 30 5.619 11.856 -0.515 1.00 0.00 C ATOM 555 C GLU A 30 4.938 10.503 -0.332 1.00 0.00 C ATOM 556 O GLU A 30 3.710 10.411 -0.328 1.00 0.00 O ATOM 557 CB GLU A 30 6.053 12.410 0.844 1.00 0.00 C ATOM 558 CG GLU A 30 7.308 13.263 0.781 1.00 0.00 C ATOM 559 CD GLU A 30 8.577 12.448 0.940 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.676 11.692 1.929 1.00 0.00 O ATOM 561 OE2 GLU A 30 9.470 12.567 0.076 1.00 0.00 O ATOM 0 H GLU A 30 3.843 12.954 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 30 6.501 11.717 -1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.240 13.005 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.223 11.579 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.337 13.790 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.267 14.021 1.563 1.00 0.00 H new ATOM 568 N CYS A 31 5.743 9.458 -0.181 1.00 0.00 N ATOM 569 CA CYS A 31 5.218 8.109 0.001 1.00 0.00 C ATOM 570 C CYS A 31 6.210 7.239 0.766 1.00 0.00 C ATOM 571 O CYS A 31 7.293 6.929 0.268 1.00 0.00 O ATOM 572 CB CYS A 31 4.904 7.474 -1.354 1.00 0.00 C ATOM 573 SG CYS A 31 4.137 5.840 -1.244 1.00 0.00 S ATOM 0 H CYS A 31 6.761 9.518 -0.181 1.00 0.00 H new ATOM 0 HA CYS A 31 4.299 8.179 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.241 8.138 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.827 7.392 -1.928 1.00 0.00 H new ATOM 0 HG CYS A 31 5.005 4.983 -0.794 1.00 0.00 H new ATOM 579 N ASP A 32 5.834 6.849 1.979 1.00 0.00 N ATOM 580 CA ASP A 32 6.691 6.014 2.814 1.00 0.00 C ATOM 581 C ASP A 32 5.964 4.742 3.238 1.00 0.00 C ATOM 582 O ASP A 32 4.734 4.680 3.212 1.00 0.00 O ATOM 583 CB ASP A 32 7.148 6.791 4.049 1.00 0.00 C ATOM 584 CG ASP A 32 8.496 6.324 4.562 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.204 5.620 3.811 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.843 6.660 5.713 1.00 0.00 O ATOM 0 H ASP A 32 4.942 7.097 2.406 1.00 0.00 H new ATOM 0 HA ASP A 32 7.565 5.732 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.203 7.852 3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.405 6.682 4.839 1.00 0.00 H new ATOM 591 N ILE A 33 6.732 3.730 3.626 1.00 0.00 N ATOM 592 CA ILE A 33 6.160 2.459 4.056 1.00 0.00 C ATOM 593 C ILE A 33 6.974 1.846 5.190 1.00 0.00 C ATOM 594 O ILE A 33 8.062 1.312 4.969 1.00 0.00 O ATOM 595 CB ILE A 33 6.084 1.454 2.891 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.259 2.034 1.741 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.488 0.137 3.366 1.00 0.00 C ATOM 598 CD1 ILE A 33 5.107 1.090 0.570 1.00 0.00 C ATOM 0 H ILE A 33 7.751 3.765 3.652 1.00 0.00 H new ATOM 0 HA ILE A 33 5.151 2.670 4.410 1.00 0.00 H new ATOM 0 HB ILE A 33 7.094 1.264 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.270 2.301 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.729 2.955 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.441 -0.563 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.112 -0.281 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.483 0.310 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.511 1.568 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.091 0.843 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.609 0.178 0.900 1.00 0.00 H new ATOM 610 N ILE A 34 6.439 1.924 6.404 1.00 0.00 N ATOM 611 CA ILE A 34 7.115 1.373 7.572 1.00 0.00 C ATOM 612 C ILE A 34 6.111 0.817 8.576 1.00 0.00 C ATOM 613 O ILE A 34 4.937 1.187 8.568 1.00 0.00 O ATOM 614 CB ILE A 34 7.987 2.434 8.270 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.694 3.307 7.232 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.001 1.766 9.186 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.211 4.614 7.792 1.00 0.00 C ATOM 0 H ILE A 34 5.540 2.363 6.604 1.00 0.00 H new ATOM 0 HA ILE A 34 7.755 0.566 7.215 1.00 0.00 H new ATOM 0 HB ILE A 34 7.343 3.071 8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.528 2.748 6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.003 3.519 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.610 2.528 9.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.478 1.182 9.943 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.643 1.108 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.700 5.181 7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.379 5.193 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.927 4.411 8.588 1.00 0.00 H new ATOM 629 N LYS A 35 6.581 -0.074 9.442 1.00 0.00 N ATOM 630 CA LYS A 35 5.727 -0.681 10.456 1.00 0.00 C ATOM 631 C LYS A 35 4.409 -1.150 9.848 1.00 0.00 C ATOM 632 O LYS A 35 3.333 -0.797 10.327 1.00 0.00 O ATOM 633 CB LYS A 35 5.454 0.315 11.585 1.00 0.00 C ATOM 634 CG LYS A 35 6.684 0.653 12.409 1.00 0.00 C ATOM 635 CD LYS A 35 6.800 -0.242 13.631 1.00 0.00 C ATOM 636 CE LYS A 35 7.994 0.143 14.492 1.00 0.00 C ATOM 637 NZ LYS A 35 9.278 0.012 13.750 1.00 0.00 N ATOM 0 H LYS A 35 7.550 -0.392 9.462 1.00 0.00 H new ATOM 0 HA LYS A 35 6.248 -1.548 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.049 1.233 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.688 -0.095 12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.577 0.546 11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.637 1.696 12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.887 -0.173 14.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.898 -1.281 13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.877 1.170 14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.021 -0.490 15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.073 0.101 14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.317 -0.917 13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.342 0.761 13.032 1.00 0.00 H new ATOM 651 N ASN A 36 4.502 -1.949 8.789 1.00 0.00 N ATOM 652 CA ASN A 36 3.317 -2.467 8.116 1.00 0.00 C ATOM 653 C ASN A 36 2.314 -1.349 7.843 1.00 0.00 C ATOM 654 O ASN A 36 1.104 -1.544 7.961 1.00 0.00 O ATOM 655 CB ASN A 36 2.661 -3.560 8.962 1.00 0.00 C ATOM 656 CG ASN A 36 3.670 -4.342 9.780 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.122 -3.886 10.830 1.00 0.00 O ATOM 658 ND2 ASN A 36 4.029 -5.527 9.300 1.00 0.00 N ATOM 0 H ASN A 36 5.386 -2.251 8.379 1.00 0.00 H new ATOM 0 HA ASN A 36 3.629 -2.893 7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.928 -3.108 9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.118 -4.244 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.705 -6.099 9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.628 -5.866 8.425 1.00 0.00 H new ATOM 665 N TYR A 37 2.826 -0.179 7.477 1.00 0.00 N ATOM 666 CA TYR A 37 1.977 0.970 7.189 1.00 0.00 C ATOM 667 C TYR A 37 2.662 1.923 6.214 1.00 0.00 C ATOM 668 O TYR A 37 3.888 1.943 6.105 1.00 0.00 O ATOM 669 CB TYR A 37 1.627 1.709 8.481 1.00 0.00 C ATOM 670 CG TYR A 37 2.694 2.680 8.932 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.006 3.802 8.174 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.393 2.475 10.116 1.00 0.00 C ATOM 673 CE1 TYR A 37 3.981 4.691 8.581 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.369 3.360 10.532 1.00 0.00 C ATOM 675 CZ TYR A 37 4.659 4.467 9.761 1.00 0.00 C ATOM 676 OH TYR A 37 5.631 5.350 10.171 1.00 0.00 O ATOM 0 H TYR A 37 3.825 -0.002 7.373 1.00 0.00 H new ATOM 0 HA TYR A 37 1.059 0.605 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.692 2.251 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.455 0.979 9.272 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.476 3.982 7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.169 1.609 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.211 5.557 7.979 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.902 3.186 11.455 1.00 0.00 H new ATOM 0 HH TYR A 37 5.692 6.090 9.531 1.00 0.00 H new ATOM 686 N GLY A 38 1.861 2.715 5.508 1.00 0.00 N ATOM 687 CA GLY A 38 2.406 3.661 4.552 1.00 0.00 C ATOM 688 C GLY A 38 1.702 5.002 4.597 1.00 0.00 C ATOM 689 O GLY A 38 0.477 5.065 4.703 1.00 0.00 O ATOM 0 H GLY A 38 0.844 2.718 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.468 3.805 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.325 3.245 3.548 1.00 0.00 H new ATOM 693 N PHE A 39 2.477 6.079 4.518 1.00 0.00 N ATOM 694 CA PHE A 39 1.920 7.426 4.553 1.00 0.00 C ATOM 695 C PHE A 39 1.946 8.061 3.166 1.00 0.00 C ATOM 696 O PHE A 39 2.994 8.137 2.525 1.00 0.00 O ATOM 697 CB PHE A 39 2.699 8.297 5.540 1.00 0.00 C ATOM 698 CG PHE A 39 2.541 7.870 6.971 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.300 7.499 7.464 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.633 7.839 7.823 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.151 7.105 8.781 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.490 7.445 9.140 1.00 0.00 C ATOM 703 CZ PHE A 39 2.248 7.079 9.620 1.00 0.00 C ATOM 0 H PHE A 39 3.493 6.045 4.429 1.00 0.00 H new ATOM 0 HA PHE A 39 0.883 7.355 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.756 8.273 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.369 9.331 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.439 7.518 6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.607 8.126 7.454 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.179 6.818 9.153 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.349 7.423 9.794 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.135 6.773 10.650 1.00 0.00 H new ATOM 713 N VAL A 40 0.784 8.516 2.708 1.00 0.00 N ATOM 714 CA VAL A 40 0.672 9.145 1.397 1.00 0.00 C ATOM 715 C VAL A 40 0.240 10.602 1.522 1.00 0.00 C ATOM 716 O VAL A 40 -0.789 10.906 2.128 1.00 0.00 O ATOM 717 CB VAL A 40 -0.333 8.399 0.500 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.686 9.237 -0.719 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.227 7.047 0.084 1.00 0.00 C ATOM 0 H VAL A 40 -0.093 8.461 3.225 1.00 0.00 H new ATOM 0 HA VAL A 40 1.660 9.099 0.939 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.246 8.229 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.397 8.693 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.131 10.178 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.217 9.441 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.496 6.533 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.155 7.192 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.424 6.446 0.972 1.00 0.00 H new ATOM 729 N HIS A 41 1.032 11.500 0.945 1.00 0.00 N ATOM 730 CA HIS A 41 0.731 12.927 0.991 1.00 0.00 C ATOM 731 C HIS A 41 0.204 13.414 -0.355 1.00 0.00 C ATOM 732 O HIS A 41 0.979 13.726 -1.260 1.00 0.00 O ATOM 733 CB HIS A 41 1.978 13.720 1.381 1.00 0.00 C ATOM 734 CG HIS A 41 2.742 13.115 2.519 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.301 11.890 2.657 1.00 0.00 N flip ATOM 736 CD2 HIS A 41 3.002 13.789 3.693 1.00 0.00 C flip ATOM 737 CE1 HIS A 41 3.884 11.847 3.900 1.00 0.00 C flip ATOM 738 NE2 HIS A 41 3.690 13.005 4.505 1.00 0.00 N flip ATOM 0 H HIS A 41 1.887 11.265 0.440 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.042 13.087 1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.634 13.798 0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.684 14.734 1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.692 14.800 3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.415 11.003 4.315 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.016 13.252 5.440 1.00 0.00 H new ATOM 746 N ILE A 42 -1.117 13.476 -0.480 1.00 0.00 N ATOM 747 CA ILE A 42 -1.747 13.925 -1.716 1.00 0.00 C ATOM 748 C ILE A 42 -1.578 15.429 -1.903 1.00 0.00 C ATOM 749 O ILE A 42 -1.170 16.137 -0.983 1.00 0.00 O ATOM 750 CB ILE A 42 -3.248 13.582 -1.740 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.801 13.716 -3.160 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.013 14.481 -0.781 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.093 12.960 -3.379 1.00 0.00 C ATOM 0 H ILE A 42 -1.772 13.221 0.259 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.250 13.401 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.374 12.549 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.965 14.771 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.054 13.356 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.072 14.226 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.633 14.340 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.882 15.522 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.427 13.100 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.930 11.899 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.855 13.336 -2.696 1.00 0.00 H new ATOM 765 N GLU A 43 -1.896 15.910 -3.101 1.00 0.00 N ATOM 766 CA GLU A 43 -1.781 17.331 -3.408 1.00 0.00 C ATOM 767 C GLU A 43 -2.856 18.134 -2.682 1.00 0.00 C ATOM 768 O GLU A 43 -2.577 18.817 -1.696 1.00 0.00 O ATOM 769 CB GLU A 43 -1.890 17.560 -4.917 1.00 0.00 C ATOM 770 CG GLU A 43 -2.035 19.022 -5.302 1.00 0.00 C ATOM 771 CD GLU A 43 -0.700 19.734 -5.407 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.114 19.738 -6.510 1.00 0.00 O ATOM 773 OE2 GLU A 43 -0.242 20.287 -4.385 1.00 0.00 O ATOM 0 H GLU A 43 -2.235 15.337 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.804 17.672 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.004 17.151 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.747 17.006 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.556 19.092 -6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.655 19.529 -4.563 1.00 0.00 H new ATOM 780 N ASP A 44 -4.086 18.047 -3.177 1.00 0.00 N ATOM 781 CA ASP A 44 -5.204 18.765 -2.576 1.00 0.00 C ATOM 782 C ASP A 44 -6.012 17.847 -1.664 1.00 0.00 C ATOM 783 O ASP A 44 -6.116 16.644 -1.910 1.00 0.00 O ATOM 784 CB ASP A 44 -6.108 19.347 -3.664 1.00 0.00 C ATOM 785 CG ASP A 44 -5.387 20.357 -4.536 1.00 0.00 C ATOM 786 OD1 ASP A 44 -5.376 21.552 -4.174 1.00 0.00 O ATOM 787 OD2 ASP A 44 -4.835 19.952 -5.581 1.00 0.00 O ATOM 0 H ASP A 44 -4.334 17.487 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.800 19.580 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.488 18.538 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.971 19.823 -3.199 1.00 0.00 H new ATOM 792 N LYS A 45 -6.582 18.420 -0.610 1.00 0.00 N ATOM 793 CA LYS A 45 -7.381 17.655 0.339 1.00 0.00 C ATOM 794 C LYS A 45 -8.504 16.908 -0.373 1.00 0.00 C ATOM 795 O LYS A 45 -8.576 15.679 -0.323 1.00 0.00 O ATOM 796 CB LYS A 45 -7.968 18.581 1.407 1.00 0.00 C ATOM 797 CG LYS A 45 -8.533 17.844 2.608 1.00 0.00 C ATOM 798 CD LYS A 45 -9.149 18.803 3.613 1.00 0.00 C ATOM 799 CE LYS A 45 -8.113 19.311 4.605 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.588 20.522 5.331 1.00 0.00 N ATOM 0 H LYS A 45 -6.505 19.413 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.729 16.925 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.193 19.269 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.757 19.185 0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.287 17.130 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.741 17.271 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.595 19.647 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.954 18.301 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.881 18.524 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.188 19.543 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.854 20.837 5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.785 21.281 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.457 20.294 5.855 1.00 0.00 H new ATOM 814 N THR A 46 -9.380 17.656 -1.037 1.00 0.00 N ATOM 815 CA THR A 46 -10.499 17.065 -1.759 1.00 0.00 C ATOM 816 C THR A 46 -10.052 15.851 -2.566 1.00 0.00 C ATOM 817 O THR A 46 -10.789 14.874 -2.694 1.00 0.00 O ATOM 818 CB THR A 46 -11.156 18.084 -2.708 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.650 19.201 -1.961 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.297 17.443 -3.485 1.00 0.00 C ATOM 0 H THR A 46 -9.335 18.674 -1.089 1.00 0.00 H new ATOM 0 HA THR A 46 -11.229 16.753 -1.012 1.00 0.00 H new ATOM 0 HB THR A 46 -10.402 18.426 -3.417 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.065 19.845 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.746 18.182 -4.149 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.913 16.611 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.051 17.076 -2.788 1.00 0.00 H new ATOM 828 N ALA A 47 -8.841 15.919 -3.107 1.00 0.00 N ATOM 829 CA ALA A 47 -8.295 14.824 -3.899 1.00 0.00 C ATOM 830 C ALA A 47 -8.207 13.543 -3.077 1.00 0.00 C ATOM 831 O ALA A 47 -8.445 12.449 -3.588 1.00 0.00 O ATOM 832 CB ALA A 47 -6.925 15.198 -4.445 1.00 0.00 C ATOM 0 H ALA A 47 -8.219 16.721 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.970 14.643 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.530 14.371 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.014 16.083 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.249 15.409 -3.617 1.00 0.00 H new ATOM 838 N ALA A 48 -7.863 13.686 -1.801 1.00 0.00 N ATOM 839 CA ALA A 48 -7.745 12.540 -0.909 1.00 0.00 C ATOM 840 C ALA A 48 -9.071 11.796 -0.791 1.00 0.00 C ATOM 841 O ALA A 48 -9.187 10.646 -1.212 1.00 0.00 O ATOM 842 CB ALA A 48 -7.266 12.988 0.464 1.00 0.00 C ATOM 0 H ALA A 48 -7.661 14.585 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.011 11.855 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.182 12.122 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.292 13.468 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.980 13.695 0.886 1.00 0.00 H new ATOM 848 N GLU A 49 -10.069 12.462 -0.217 1.00 0.00 N ATOM 849 CA GLU A 49 -11.386 11.861 -0.044 1.00 0.00 C ATOM 850 C GLU A 49 -11.764 11.018 -1.258 1.00 0.00 C ATOM 851 O GLU A 49 -12.145 9.855 -1.125 1.00 0.00 O ATOM 852 CB GLU A 49 -12.440 12.947 0.184 1.00 0.00 C ATOM 853 CG GLU A 49 -12.383 13.569 1.570 1.00 0.00 C ATOM 854 CD GLU A 49 -13.715 14.149 2.003 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.350 14.851 1.188 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.123 13.903 3.158 1.00 0.00 O ATOM 0 H GLU A 49 -9.990 13.416 0.135 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.348 11.211 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.310 13.731 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.430 12.519 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.068 12.814 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.628 14.355 1.581 1.00 0.00 H new ATOM 863 N ASP A 50 -11.656 11.613 -2.441 1.00 0.00 N ATOM 864 CA ASP A 50 -11.985 10.918 -3.680 1.00 0.00 C ATOM 865 C ASP A 50 -11.355 9.529 -3.707 1.00 0.00 C ATOM 866 O ASP A 50 -12.038 8.530 -3.931 1.00 0.00 O ATOM 867 CB ASP A 50 -11.514 11.730 -4.886 1.00 0.00 C ATOM 868 CG ASP A 50 -12.570 12.698 -5.381 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.739 13.764 -4.752 1.00 0.00 O ATOM 870 OD2 ASP A 50 -13.228 12.391 -6.398 1.00 0.00 O ATOM 0 H ASP A 50 -11.343 12.575 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.068 10.807 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.614 12.284 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.241 11.051 -5.693 1.00 0.00 H new ATOM 875 N ALA A 51 -10.046 9.474 -3.480 1.00 0.00 N ATOM 876 CA ALA A 51 -9.324 8.208 -3.478 1.00 0.00 C ATOM 877 C ALA A 51 -9.647 7.394 -2.230 1.00 0.00 C ATOM 878 O ALA A 51 -10.160 6.278 -2.322 1.00 0.00 O ATOM 879 CB ALA A 51 -7.826 8.456 -3.576 1.00 0.00 C ATOM 0 H ALA A 51 -9.465 10.292 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.644 7.633 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.298 7.502 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.605 8.990 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.500 9.053 -2.725 1.00 0.00 H new ATOM 885 N ILE A 52 -9.342 7.957 -1.066 1.00 0.00 N ATOM 886 CA ILE A 52 -9.600 7.283 0.200 1.00 0.00 C ATOM 887 C ILE A 52 -10.870 6.441 0.125 1.00 0.00 C ATOM 888 O ILE A 52 -10.835 5.228 0.329 1.00 0.00 O ATOM 889 CB ILE A 52 -9.733 8.289 1.358 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.452 9.116 1.492 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.040 7.563 2.658 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.529 10.179 2.566 1.00 0.00 C ATOM 0 H ILE A 52 -8.916 8.879 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.746 6.634 0.391 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.559 8.966 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.619 8.448 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.235 9.592 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.131 8.288 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.976 7.014 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.233 6.866 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.587 10.726 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.340 10.870 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.715 9.708 3.531 1.00 0.00 H new ATOM 904 N ARG A 53 -11.989 7.094 -0.170 1.00 0.00 N ATOM 905 CA ARG A 53 -13.270 6.406 -0.273 1.00 0.00 C ATOM 906 C ARG A 53 -13.115 5.073 -0.999 1.00 0.00 C ATOM 907 O ARG A 53 -13.568 4.036 -0.516 1.00 0.00 O ATOM 908 CB ARG A 53 -14.287 7.282 -1.007 1.00 0.00 C ATOM 909 CG ARG A 53 -15.659 6.642 -1.141 1.00 0.00 C ATOM 910 CD ARG A 53 -16.597 7.504 -1.972 1.00 0.00 C ATOM 911 NE ARG A 53 -17.326 8.467 -1.152 1.00 0.00 N ATOM 912 CZ ARG A 53 -16.841 9.655 -0.807 1.00 0.00 C ATOM 913 NH1 ARG A 53 -15.633 10.024 -1.210 1.00 0.00 N ATOM 914 NH2 ARG A 53 -17.566 10.477 -0.058 1.00 0.00 N ATOM 0 H ARG A 53 -12.034 8.098 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.630 6.211 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.388 8.229 -0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.904 7.513 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.560 5.660 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.087 6.486 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.024 8.035 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.307 6.865 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.259 8.214 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.074 9.395 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.263 10.937 -0.944 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.496 10.197 0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.193 11.389 0.206 1.00 0.00 H new ATOM 928 N ASN A 54 -12.472 5.109 -2.161 1.00 0.00 N ATOM 929 CA ASN A 54 -12.257 3.904 -2.954 1.00 0.00 C ATOM 930 C ASN A 54 -11.147 3.048 -2.353 1.00 0.00 C ATOM 931 O ASN A 54 -11.405 1.985 -1.787 1.00 0.00 O ATOM 932 CB ASN A 54 -11.907 4.273 -4.397 1.00 0.00 C ATOM 933 CG ASN A 54 -13.053 4.963 -5.112 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.829 4.326 -5.824 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.165 6.273 -4.924 1.00 0.00 N ATOM 0 H ASN A 54 -12.090 5.960 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.181 3.326 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.034 4.926 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.632 3.371 -4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.917 6.791 -5.378 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.499 6.761 -4.325 1.00 0.00 H new ATOM 942 N LEU A 55 -9.911 3.517 -2.480 1.00 0.00 N ATOM 943 CA LEU A 55 -8.760 2.795 -1.949 1.00 0.00 C ATOM 944 C LEU A 55 -9.131 2.039 -0.677 1.00 0.00 C ATOM 945 O LEU A 55 -8.857 0.845 -0.550 1.00 0.00 O ATOM 946 CB LEU A 55 -7.612 3.765 -1.663 1.00 0.00 C ATOM 947 CG LEU A 55 -6.805 4.227 -2.876 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.834 5.330 -2.484 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.059 3.055 -3.498 1.00 0.00 C ATOM 0 H LEU A 55 -9.680 4.394 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.438 2.072 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.022 4.645 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.930 3.291 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.497 4.627 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.269 5.646 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.389 6.179 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.147 4.957 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.490 3.402 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.378 2.626 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.774 2.297 -3.817 1.00 0.00 H new ATOM 961 N HIS A 56 -9.758 2.741 0.261 1.00 0.00 N ATOM 962 CA HIS A 56 -10.169 2.135 1.522 1.00 0.00 C ATOM 963 C HIS A 56 -10.730 0.735 1.295 1.00 0.00 C ATOM 964 O HIS A 56 -11.756 0.566 0.635 1.00 0.00 O ATOM 965 CB HIS A 56 -11.215 3.010 2.215 1.00 0.00 C ATOM 966 CG HIS A 56 -11.437 2.652 3.653 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.415 2.296 4.507 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.574 2.597 4.386 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.913 2.037 5.702 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.222 2.213 5.656 1.00 0.00 N ATOM 0 H HIS A 56 -9.993 3.730 0.172 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.290 2.055 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.904 4.053 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.160 2.927 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.572 2.815 4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.347 1.733 6.570 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.866 2.084 6.437 1.00 0.00 H new ATOM 978 N HIS A 57 -10.051 -0.266 1.845 1.00 0.00 N ATOM 979 CA HIS A 57 -10.482 -1.653 1.701 1.00 0.00 C ATOM 980 C HIS A 57 -10.336 -2.120 0.256 1.00 0.00 C ATOM 981 O HIS A 57 -11.097 -2.966 -0.213 1.00 0.00 O ATOM 982 CB HIS A 57 -11.933 -1.807 2.155 1.00 0.00 C ATOM 983 CG HIS A 57 -12.209 -1.203 3.498 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.440 -0.696 3.857 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.403 -1.027 4.571 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.380 -0.233 5.092 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.155 -0.422 5.549 1.00 0.00 N ATOM 0 H HIS A 57 -9.200 -0.144 2.394 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.844 -2.273 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.587 -1.344 1.416 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.185 -2.867 2.184 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -14.268 -0.681 3.261 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.363 -1.309 4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.194 0.223 5.636 1.00 0.00 H new ATOM 995 N TYR A 58 -9.354 -1.563 -0.444 1.00 0.00 N ATOM 996 CA TYR A 58 -9.110 -1.921 -1.837 1.00 0.00 C ATOM 997 C TYR A 58 -8.337 -3.232 -1.935 1.00 0.00 C ATOM 998 O TYR A 58 -7.173 -3.312 -1.540 1.00 0.00 O ATOM 999 CB TYR A 58 -8.338 -0.805 -2.544 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.904 -1.165 -3.947 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.731 -1.875 -4.172 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.668 -0.796 -5.047 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.331 -2.205 -5.452 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -8.276 -1.123 -6.331 1.00 0.00 C ATOM 1005 CZ TYR A 58 -7.106 -1.827 -6.528 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.711 -2.155 -7.805 1.00 0.00 O ATOM 0 H TYR A 58 -8.714 -0.862 -0.070 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.075 -2.053 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.961 0.088 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.457 -0.553 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.122 -2.174 -3.332 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.584 -0.244 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.416 -2.756 -5.609 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.882 -0.829 -7.175 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.368 -1.816 -8.448 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.992 -4.259 -2.466 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.367 -5.568 -2.620 1.00 0.00 C ATOM 1018 C LYS A 59 -7.050 -5.456 -3.380 1.00 0.00 C ATOM 1019 O LYS A 59 -7.036 -5.367 -4.609 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.312 -6.523 -3.352 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.022 -7.990 -3.084 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.248 -8.854 -3.326 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.902 -10.335 -3.287 1.00 0.00 C ATOM 1024 NZ LYS A 59 -9.010 -10.726 -4.414 1.00 0.00 N ATOM 0 H LYS A 59 -9.956 -4.210 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.159 -5.964 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.338 -6.304 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.244 -6.338 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.208 -8.324 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.686 -8.113 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.003 -8.636 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.684 -8.606 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.415 -10.569 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.819 -10.923 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.040 -11.758 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.331 -10.262 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.035 -10.431 -4.203 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.944 -5.463 -2.644 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.621 -5.365 -3.249 1.00 0.00 C ATOM 1040 C LEU A 60 -3.797 -6.616 -2.964 1.00 0.00 C ATOM 1041 O LEU A 60 -3.108 -6.700 -1.947 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.889 -4.128 -2.724 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.492 -3.882 -3.295 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.572 -3.536 -4.773 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.788 -2.776 -2.523 1.00 0.00 C ATOM 0 H LEU A 60 -5.938 -5.536 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.748 -5.275 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.504 -3.252 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.807 -4.212 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.911 -4.798 -3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.568 -3.364 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.035 -4.361 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.171 -2.634 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.795 -2.614 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.367 -1.856 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.696 -3.065 -1.476 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.871 -7.586 -3.870 1.00 0.00 N ATOM 1058 CA HIS A 61 -3.130 -8.833 -3.718 1.00 0.00 C ATOM 1059 C HIS A 61 -3.748 -9.703 -2.627 1.00 0.00 C ATOM 1060 O HIS A 61 -3.065 -10.129 -1.697 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.666 -8.543 -3.386 1.00 0.00 C ATOM 1062 CG HIS A 61 -1.071 -7.444 -4.212 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.296 -6.392 -3.859 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -1.252 -7.345 -5.575 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 -0.025 -5.684 -5.004 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 -0.612 -6.280 -6.025 1.00 0.00 N flip ATOM 0 H HIS A 61 -4.437 -7.532 -4.717 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.181 -9.375 -4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.587 -8.278 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.082 -9.452 -3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.827 -8.030 -6.180 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.572 -4.785 -5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -0.577 -5.971 -6.996 1.00 0.00 H new ATOM 1074 N GLY A 62 -5.047 -9.962 -2.748 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.735 -10.779 -1.766 1.00 0.00 C ATOM 1076 C GLY A 62 -5.644 -10.203 -0.367 1.00 0.00 C ATOM 1077 O GLY A 62 -5.647 -10.941 0.618 1.00 0.00 O ATOM 0 H GLY A 62 -5.635 -9.620 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.783 -10.876 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.310 -11.783 -1.771 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.562 -8.879 -0.278 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.469 -8.203 1.011 1.00 0.00 C ATOM 1083 C VAL A 63 -6.549 -7.136 1.150 1.00 0.00 C ATOM 1084 O VAL A 63 -7.270 -6.839 0.199 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.088 -7.550 1.204 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -4.012 -6.229 0.452 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -3.797 -7.348 2.683 1.00 0.00 C ATOM 0 H VAL A 63 -5.558 -8.253 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.613 -8.963 1.779 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.329 -8.217 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.029 -5.782 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.174 -6.406 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.779 -5.552 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.817 -6.886 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.558 -6.701 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.807 -8.312 3.191 1.00 0.00 H new ATOM 1097 N ASN A 64 -6.654 -6.561 2.344 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.646 -5.525 2.609 1.00 0.00 C ATOM 1099 C ASN A 64 -7.004 -4.317 3.285 1.00 0.00 C ATOM 1100 O ASN A 64 -7.095 -4.154 4.502 1.00 0.00 O ATOM 1101 CB ASN A 64 -8.769 -6.079 3.488 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.506 -7.228 2.829 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.188 -8.396 3.056 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.497 -6.902 2.007 1.00 0.00 N ATOM 0 H ASN A 64 -6.065 -6.795 3.143 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.065 -5.205 1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.351 -6.416 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.476 -5.281 3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.029 -7.633 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.726 -5.921 1.848 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.356 -3.475 2.488 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.701 -2.281 3.009 1.00 0.00 C ATOM 1113 C ILE A 65 -6.709 -1.342 3.663 1.00 0.00 C ATOM 1114 O ILE A 65 -7.853 -1.239 3.223 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.953 -1.520 1.899 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.946 -0.928 0.897 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.968 -2.442 1.195 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.358 0.170 0.039 1.00 0.00 C ATOM 0 H ILE A 65 -6.270 -3.597 1.479 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.982 -2.616 3.757 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.394 -0.702 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.316 -1.724 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.805 -0.533 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.447 -1.889 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.243 -2.819 1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.507 -3.279 0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.119 0.542 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.014 0.985 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.517 -0.225 -0.531 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.274 -0.659 4.717 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.138 0.274 5.432 1.00 0.00 C ATOM 1132 C ASN A 66 -6.641 1.707 5.273 1.00 0.00 C ATOM 1133 O ASN A 66 -5.583 2.069 5.788 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.203 -0.094 6.916 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.211 -1.192 7.196 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.334 -0.925 7.623 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.813 -2.436 6.956 1.00 0.00 N ATOM 0 H ASN A 66 -5.329 -0.734 5.095 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.138 0.206 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.217 -0.416 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.464 0.791 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.448 -3.216 7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.873 -2.611 6.602 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.412 2.520 4.558 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.052 3.914 4.332 1.00 0.00 C ATOM 1146 C VAL A 67 -7.818 4.839 5.272 1.00 0.00 C ATOM 1147 O VAL A 67 -9.020 4.674 5.476 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.327 4.337 2.877 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.922 5.786 2.656 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.598 3.418 1.909 1.00 0.00 C ATOM 0 H VAL A 67 -8.291 2.236 4.125 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.984 4.001 4.532 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.397 4.251 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.124 6.067 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.493 6.430 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.858 5.902 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.803 3.731 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.525 3.470 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.942 2.394 2.051 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.113 5.812 5.841 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.727 6.762 6.760 1.00 0.00 C ATOM 1162 C GLU A 68 -6.889 8.033 6.869 1.00 0.00 C ATOM 1163 O GLU A 68 -5.660 7.984 6.825 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.899 6.131 8.143 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.360 7.112 9.207 1.00 0.00 C ATOM 1166 CD GLU A 68 -9.041 6.428 10.376 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -10.190 5.969 10.207 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -8.426 6.351 11.460 1.00 0.00 O ATOM 0 H GLU A 68 -6.117 5.963 5.682 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.708 7.027 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.621 5.317 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.951 5.691 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.502 7.677 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.048 7.830 8.760 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.563 9.169 7.012 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.882 10.452 7.129 1.00 0.00 C ATOM 1177 C ALA A 69 -6.014 10.501 8.383 1.00 0.00 C ATOM 1178 O ALA A 69 -6.525 10.576 9.500 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.894 11.588 7.141 1.00 0.00 C ATOM 0 H ALA A 69 -8.581 9.227 7.050 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.231 10.569 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.371 12.540 7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.468 11.574 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.569 11.465 7.988 1.00 0.00 H new