USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1000 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 122 LYS NZ :NH3+ -143:sc=-0.00473 (180deg=0) USER MOD Set 1.2: A 126 LYS NZ :NH3+ -158:sc= -0.379 (180deg=-0.824) USER MOD Set 2.1: A 112 THR OG1 : rot 180:sc= 0.00838 USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -118:sc= -0.267 (180deg=-1.96) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.409 (180deg=-0.743) USER MOD Single : A 15 SER OG : rot 180:sc= -1.15! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.056) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0332 F(o=-1.9!,f=-0.033) USER MOD Single : A 32 ASN : amide:sc= -1.02 K(o=-1,f=-5!) USER MOD Single : A 44 ASN : amide:sc= -0.0866 K(o=-0.087,f=-0.71) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.836 (180deg=-1.31!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 90:sc= -1.22 USER MOD Single : A 56 SER OG : rot 107:sc= 0.163 USER MOD Single : A 59 ASN :FLIP amide:sc= -1.38 F(o=-2.2,f=-1.4) USER MOD Single : A 60 MET CE :methyl 152:sc= -0.285 (180deg=-1.51!) USER MOD Single : A 62 ASN :FLIP amide:sc= -3.57! C(o=-5.3!,f=-3.6!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.145 (180deg=-0.86) USER MOD Single : A 71 THR OG1 : rot -90:sc= -0.746 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -49:sc= 0.564 USER MOD Single : A 85 MET CE :methyl 143:sc= -0.957 (180deg=-2.93!) USER MOD Single : A 87 THR OG1 : rot 63:sc= -0.245 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -114:sc= -0.138 (180deg=-0.735) USER MOD Single : A 94 ASN : amide:sc= -0.0109 K(o=-0.011,f=-3.1!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -160:sc= -4.26! USER MOD Single : A 106 TYR OH : rot 180:sc= -1.55 USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 0.00476 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -110:sc= 0.0944 (180deg=-0.109) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 129 MET CE :methyl 165:sc= -0.142 (180deg=-0.523) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.014 0.490 9.369 1.00 0.00 N ATOM 2 CA ALA A 2 -12.892 1.466 9.486 1.00 0.00 C ATOM 3 C ALA A 2 -13.352 2.818 8.939 1.00 0.00 C ATOM 4 O ALA A 2 -14.367 2.913 8.278 1.00 0.00 O ATOM 5 CB ALA A 2 -11.683 0.962 8.688 1.00 0.00 C ATOM 0 HA ALA A 2 -12.603 1.574 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.865 1.677 8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.364 -0.003 9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.959 0.853 7.639 1.00 0.00 H new ATOM 11 N ASP A 3 -12.619 3.864 9.218 1.00 0.00 N ATOM 12 CA ASP A 3 -13.017 5.214 8.722 1.00 0.00 C ATOM 13 C ASP A 3 -13.464 5.118 7.263 1.00 0.00 C ATOM 14 O ASP A 3 -12.954 4.329 6.500 1.00 0.00 O ATOM 15 CB ASP A 3 -11.822 6.166 8.826 1.00 0.00 C ATOM 16 CG ASP A 3 -12.286 7.601 8.571 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.182 8.047 9.269 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.735 8.230 7.682 1.00 0.00 O ATOM 0 H ASP A 3 -11.761 3.841 9.769 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.841 5.592 9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.368 6.090 9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.057 5.886 8.102 1.00 0.00 H new ATOM 23 N LYS A 4 -14.412 5.920 6.867 1.00 0.00 N ATOM 24 CA LYS A 4 -14.878 5.871 5.455 1.00 0.00 C ATOM 25 C LYS A 4 -14.043 6.846 4.631 1.00 0.00 C ATOM 26 O LYS A 4 -14.376 7.179 3.513 1.00 0.00 O ATOM 27 CB LYS A 4 -16.358 6.263 5.382 1.00 0.00 C ATOM 28 CG LYS A 4 -17.209 5.213 6.103 1.00 0.00 C ATOM 29 CD LYS A 4 -18.305 4.698 5.162 1.00 0.00 C ATOM 30 CE LYS A 4 -17.675 3.951 3.982 1.00 0.00 C ATOM 31 NZ LYS A 4 -17.873 4.740 2.734 1.00 0.00 N ATOM 0 H LYS A 4 -14.883 6.605 7.458 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.764 4.861 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.507 7.241 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.671 6.346 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.580 4.385 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.658 5.647 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.979 4.035 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.904 5.532 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.611 3.795 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.128 2.965 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.446 4.190 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.362 5.629 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.949 4.952 2.307 1.00 0.00 H new ATOM 45 N GLU A 5 -12.952 7.299 5.186 1.00 0.00 N ATOM 46 CA GLU A 5 -12.066 8.248 4.458 1.00 0.00 C ATOM 47 C GLU A 5 -10.616 7.989 4.876 1.00 0.00 C ATOM 48 O GLU A 5 -9.906 8.902 5.247 1.00 0.00 O ATOM 49 CB GLU A 5 -12.423 9.696 4.829 1.00 0.00 C ATOM 50 CG GLU A 5 -13.930 9.936 4.696 1.00 0.00 C ATOM 51 CD GLU A 5 -14.657 9.356 5.911 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.991 8.796 6.766 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.868 9.486 5.968 1.00 0.00 O ATOM 0 H GLU A 5 -12.635 7.049 6.122 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.194 8.103 3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.106 9.903 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.882 10.386 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.132 11.004 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.302 9.472 3.783 1.00 0.00 H new ATOM 60 N LEU A 6 -10.159 6.763 4.836 1.00 0.00 N ATOM 61 CA LEU A 6 -8.758 6.507 5.255 1.00 0.00 C ATOM 62 C LEU A 6 -7.818 6.905 4.111 1.00 0.00 C ATOM 63 O LEU A 6 -7.898 6.380 3.027 1.00 0.00 O ATOM 64 CB LEU A 6 -8.594 5.022 5.620 1.00 0.00 C ATOM 65 CG LEU A 6 -7.159 4.721 6.082 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.738 5.683 7.197 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.084 3.293 6.622 1.00 0.00 C ATOM 0 H LEU A 6 -10.689 5.944 4.536 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.509 7.100 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.297 4.759 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.839 4.403 4.757 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.492 4.842 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.719 5.454 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.782 6.708 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.412 5.573 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.066 3.081 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.766 3.187 7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.366 2.592 5.837 1.00 0.00 H new ATOM 79 N LYS A 7 -6.951 7.857 4.339 1.00 0.00 N ATOM 80 CA LYS A 7 -6.032 8.320 3.251 1.00 0.00 C ATOM 81 C LYS A 7 -5.242 7.152 2.651 1.00 0.00 C ATOM 82 O LYS A 7 -4.463 6.501 3.325 1.00 0.00 O ATOM 83 CB LYS A 7 -5.051 9.349 3.812 1.00 0.00 C ATOM 84 CG LYS A 7 -5.559 10.758 3.505 1.00 0.00 C ATOM 85 CD LYS A 7 -4.763 11.777 4.322 1.00 0.00 C ATOM 86 CE LYS A 7 -5.629 12.301 5.469 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.181 11.152 6.240 1.00 0.00 N ATOM 0 H LYS A 7 -6.838 8.336 5.232 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.641 8.766 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.944 9.216 4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.064 9.203 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.456 10.969 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.620 10.834 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.858 11.315 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.447 12.603 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.037 12.941 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.441 12.912 5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.596 11.498 7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.915 10.676 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.418 10.479 6.454 1.00 0.00 H new ATOM 101 N PHE A 8 -5.424 6.909 1.372 1.00 0.00 N ATOM 102 CA PHE A 8 -4.684 5.814 0.691 1.00 0.00 C ATOM 103 C PHE A 8 -3.725 6.413 -0.329 1.00 0.00 C ATOM 104 O PHE A 8 -3.979 7.459 -0.889 1.00 0.00 O ATOM 105 CB PHE A 8 -5.661 4.923 -0.082 1.00 0.00 C ATOM 106 CG PHE A 8 -6.414 4.015 0.848 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.866 2.792 1.239 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.661 4.407 1.324 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.573 1.956 2.114 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.366 3.579 2.196 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.825 2.351 2.595 1.00 0.00 C ATOM 0 H PHE A 8 -6.062 7.432 0.772 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.151 5.236 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.364 5.544 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.115 4.328 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.898 2.490 0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.083 5.353 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.152 1.009 2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.333 3.886 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.372 1.711 3.272 1.00 0.00 H new ATOM 121 N LEU A 9 -2.643 5.739 -0.599 1.00 0.00 N ATOM 122 CA LEU A 9 -1.684 6.243 -1.622 1.00 0.00 C ATOM 123 C LEU A 9 -1.374 5.107 -2.599 1.00 0.00 C ATOM 124 O LEU A 9 -0.618 4.204 -2.298 1.00 0.00 O ATOM 125 CB LEU A 9 -0.395 6.719 -0.946 1.00 0.00 C ATOM 126 CG LEU A 9 0.618 7.161 -2.009 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.018 8.262 -2.883 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.868 7.698 -1.319 1.00 0.00 C ATOM 0 H LEU A 9 -2.380 4.859 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.122 7.085 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.612 7.547 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.026 5.917 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 9 0.873 6.306 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.746 8.568 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.878 7.886 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.243 9.118 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.591 8.014 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.601 8.549 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.306 6.915 -0.700 1.00 0.00 H new ATOM 140 N VAL A 10 -1.958 5.141 -3.767 1.00 0.00 N ATOM 141 CA VAL A 10 -1.702 4.061 -4.759 1.00 0.00 C ATOM 142 C VAL A 10 -0.513 4.454 -5.637 1.00 0.00 C ATOM 143 O VAL A 10 -0.561 5.438 -6.348 1.00 0.00 O ATOM 144 CB VAL A 10 -2.945 3.871 -5.629 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.943 2.970 -4.902 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.599 5.229 -5.896 1.00 0.00 C ATOM 0 H VAL A 10 -2.601 5.870 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.477 3.129 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.655 3.413 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.829 2.834 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.484 2.001 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.229 3.432 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.485 5.091 -6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.887 5.687 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.892 5.878 -6.413 1.00 0.00 H new ATOM 156 N VAL A 11 0.556 3.700 -5.583 1.00 0.00 N ATOM 157 CA VAL A 11 1.752 4.036 -6.401 1.00 0.00 C ATOM 158 C VAL A 11 1.968 2.981 -7.486 1.00 0.00 C ATOM 159 O VAL A 11 1.991 1.795 -7.225 1.00 0.00 O ATOM 160 CB VAL A 11 2.980 4.118 -5.492 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.204 4.550 -6.304 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.715 5.150 -4.398 1.00 0.00 C ATOM 0 H VAL A 11 0.648 2.865 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 11 1.596 4.999 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 11 3.171 3.140 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.074 4.606 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.391 3.823 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.020 5.529 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.584 5.217 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.527 6.123 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.845 4.848 -3.816 1.00 0.00 H new ATOM 172 N ASP A 12 2.130 3.416 -8.706 1.00 0.00 N ATOM 173 CA ASP A 12 2.348 2.460 -9.828 1.00 0.00 C ATOM 174 C ASP A 12 2.862 3.236 -11.045 1.00 0.00 C ATOM 175 O ASP A 12 3.241 4.385 -10.940 1.00 0.00 O ATOM 176 CB ASP A 12 1.025 1.768 -10.168 1.00 0.00 C ATOM 177 CG ASP A 12 -0.138 2.710 -9.856 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.058 3.911 -9.946 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.206 2.216 -9.533 1.00 0.00 O ATOM 0 H ASP A 12 2.121 4.400 -8.975 1.00 0.00 H new ATOM 0 HA ASP A 12 3.080 1.705 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.008 1.489 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.926 0.847 -9.593 1.00 0.00 H new ATOM 184 N ASP A 13 2.887 2.623 -12.197 1.00 0.00 N ATOM 185 CA ASP A 13 3.383 3.340 -13.408 1.00 0.00 C ATOM 186 C ASP A 13 2.649 2.826 -14.650 1.00 0.00 C ATOM 187 O ASP A 13 3.053 3.077 -15.768 1.00 0.00 O ATOM 188 CB ASP A 13 4.884 3.089 -13.565 1.00 0.00 C ATOM 189 CG ASP A 13 5.489 4.151 -14.485 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.169 4.139 -15.663 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.261 4.960 -13.997 1.00 0.00 O ATOM 0 H ASP A 13 2.587 1.661 -12.353 1.00 0.00 H new ATOM 0 HA ASP A 13 3.198 4.408 -13.297 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.371 3.117 -12.590 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.055 2.095 -13.978 1.00 0.00 H new ATOM 196 N PHE A 14 1.577 2.108 -14.463 1.00 0.00 N ATOM 197 CA PHE A 14 0.823 1.577 -15.635 1.00 0.00 C ATOM 198 C PHE A 14 0.032 2.707 -16.297 1.00 0.00 C ATOM 199 O PHE A 14 -0.382 2.602 -17.434 1.00 0.00 O ATOM 200 CB PHE A 14 -0.142 0.485 -15.168 1.00 0.00 C ATOM 201 CG PHE A 14 0.192 -0.813 -15.862 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.230 -1.617 -15.376 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.534 -1.212 -16.989 1.00 0.00 C ATOM 204 CE1 PHE A 14 1.542 -2.821 -16.019 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.222 -2.417 -17.632 1.00 0.00 C ATOM 206 CZ PHE A 14 0.816 -3.221 -17.147 1.00 0.00 C ATOM 0 H PHE A 14 1.190 1.866 -13.551 1.00 0.00 H new ATOM 0 HA PHE A 14 1.526 1.160 -16.356 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.071 0.360 -14.087 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.169 0.774 -15.389 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.790 -1.309 -14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.335 -0.591 -17.363 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.343 -3.441 -15.645 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.783 -2.726 -18.502 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.057 -4.150 -17.643 1.00 0.00 H new ATOM 216 N SER A 15 -0.186 3.786 -15.596 1.00 0.00 N ATOM 217 CA SER A 15 -0.955 4.917 -16.188 1.00 0.00 C ATOM 218 C SER A 15 -2.435 4.536 -16.268 1.00 0.00 C ATOM 219 O SER A 15 -3.253 5.284 -16.765 1.00 0.00 O ATOM 220 CB SER A 15 -0.429 5.218 -17.593 1.00 0.00 C ATOM 221 OG SER A 15 0.909 4.754 -17.703 1.00 0.00 O ATOM 0 H SER A 15 0.135 3.933 -14.639 1.00 0.00 H new ATOM 0 HA SER A 15 -0.838 5.802 -15.563 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.057 4.733 -18.340 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.472 6.290 -17.788 1.00 0.00 H new ATOM 0 HG SER A 15 1.248 4.944 -18.603 1.00 0.00 H new ATOM 227 N THR A 16 -2.784 3.377 -15.780 1.00 0.00 N ATOM 228 CA THR A 16 -4.210 2.946 -15.823 1.00 0.00 C ATOM 229 C THR A 16 -4.493 2.017 -14.641 1.00 0.00 C ATOM 230 O THR A 16 -5.622 1.851 -14.224 1.00 0.00 O ATOM 231 CB THR A 16 -4.481 2.204 -17.136 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.769 1.607 -17.081 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.422 1.121 -17.347 1.00 0.00 C ATOM 0 H THR A 16 -2.142 2.709 -15.353 1.00 0.00 H new ATOM 0 HA THR A 16 -4.858 3.820 -15.763 1.00 0.00 H new ATOM 0 HB THR A 16 -4.440 2.910 -17.966 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.946 1.133 -17.920 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.619 0.596 -18.282 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.435 1.581 -17.390 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.456 0.413 -16.519 1.00 0.00 H new ATOM 241 N MET A 17 -3.473 1.410 -14.096 1.00 0.00 N ATOM 242 CA MET A 17 -3.680 0.493 -12.941 1.00 0.00 C ATOM 243 C MET A 17 -4.126 1.304 -11.722 1.00 0.00 C ATOM 244 O MET A 17 -4.802 0.806 -10.845 1.00 0.00 O ATOM 245 CB MET A 17 -2.370 -0.228 -12.622 1.00 0.00 C ATOM 246 CG MET A 17 -2.597 -1.218 -11.477 1.00 0.00 C ATOM 247 SD MET A 17 -2.121 -2.879 -12.014 1.00 0.00 S ATOM 248 CE MET A 17 -3.649 -3.279 -12.897 1.00 0.00 C ATOM 0 H MET A 17 -2.505 1.510 -14.402 1.00 0.00 H new ATOM 0 HA MET A 17 -4.447 -0.241 -13.191 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.008 -0.754 -13.505 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.603 0.495 -12.345 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.011 -0.924 -10.606 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.644 -1.208 -11.175 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.574 -4.281 -13.318 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.490 -3.238 -12.205 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.804 -2.559 -13.700 1.00 0.00 H new ATOM 258 N ARG A 18 -3.754 2.552 -11.661 1.00 0.00 N ATOM 259 CA ARG A 18 -4.162 3.389 -10.497 1.00 0.00 C ATOM 260 C ARG A 18 -5.679 3.531 -10.479 1.00 0.00 C ATOM 261 O ARG A 18 -6.307 3.493 -9.440 1.00 0.00 O ATOM 262 CB ARG A 18 -3.548 4.786 -10.607 1.00 0.00 C ATOM 263 CG ARG A 18 -2.478 4.809 -11.704 1.00 0.00 C ATOM 264 CD ARG A 18 -1.782 6.174 -11.724 1.00 0.00 C ATOM 265 NE ARG A 18 -0.306 5.978 -11.721 1.00 0.00 N ATOM 266 CZ ARG A 18 0.484 6.978 -12.005 1.00 0.00 C ATOM 267 NH1 ARG A 18 0.799 7.842 -11.078 1.00 0.00 N ATOM 268 NH2 ARG A 18 0.956 7.114 -13.213 1.00 0.00 N ATOM 0 H ARG A 18 -3.187 3.028 -12.363 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.814 2.906 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.325 5.516 -10.832 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.107 5.074 -9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.746 4.020 -11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.934 4.609 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.083 6.735 -12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.084 6.761 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 18 0.087 5.064 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.428 7.735 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.416 8.624 -11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.708 6.439 -13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.573 7.895 -13.434 1.00 0.00 H new ATOM 282 N ARG A 19 -6.274 3.715 -11.623 1.00 0.00 N ATOM 283 CA ARG A 19 -7.748 3.883 -11.670 1.00 0.00 C ATOM 284 C ARG A 19 -8.438 2.600 -11.196 1.00 0.00 C ATOM 285 O ARG A 19 -9.566 2.622 -10.746 1.00 0.00 O ATOM 286 CB ARG A 19 -8.180 4.197 -13.103 1.00 0.00 C ATOM 287 CG ARG A 19 -9.564 4.847 -13.088 1.00 0.00 C ATOM 288 CD ARG A 19 -10.066 5.011 -14.525 1.00 0.00 C ATOM 289 NE ARG A 19 -10.600 6.389 -14.710 1.00 0.00 N ATOM 290 CZ ARG A 19 -10.884 6.824 -15.907 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.682 6.136 -16.678 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.371 7.945 -16.333 1.00 0.00 N ATOM 0 H ARG A 19 -5.802 3.756 -12.526 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.035 4.704 -11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.458 4.865 -13.574 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.202 3.283 -13.696 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.260 4.233 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.516 5.818 -12.595 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.254 4.827 -15.228 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.843 4.277 -14.736 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.744 6.993 -13.901 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.083 5.259 -16.344 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.905 6.475 -17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.747 8.482 -15.730 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.593 8.285 -17.269 1.00 0.00 H new ATOM 306 N ILE A 20 -7.772 1.481 -11.294 1.00 0.00 N ATOM 307 CA ILE A 20 -8.398 0.203 -10.850 1.00 0.00 C ATOM 308 C ILE A 20 -8.487 0.181 -9.322 1.00 0.00 C ATOM 309 O ILE A 20 -9.535 -0.061 -8.757 1.00 0.00 O ATOM 310 CB ILE A 20 -7.548 -0.979 -11.342 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.083 -1.454 -12.694 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.608 -2.139 -10.340 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.120 -0.277 -13.670 1.00 0.00 C ATOM 0 H ILE A 20 -6.824 1.397 -11.661 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.402 0.122 -11.267 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.513 -0.652 -11.440 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.449 -2.248 -13.089 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.082 -1.873 -12.575 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.000 -2.967 -10.705 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.226 -1.806 -9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.641 -2.469 -10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.501 -0.615 -14.634 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.772 0.503 -13.275 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.114 0.122 -13.798 1.00 0.00 H new ATOM 325 N VAL A 21 -7.395 0.417 -8.650 1.00 0.00 N ATOM 326 CA VAL A 21 -7.424 0.391 -7.162 1.00 0.00 C ATOM 327 C VAL A 21 -8.292 1.538 -6.636 1.00 0.00 C ATOM 328 O VAL A 21 -8.975 1.403 -5.640 1.00 0.00 O ATOM 329 CB VAL A 21 -6.004 0.530 -6.611 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.607 -0.763 -5.899 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.028 0.792 -7.757 1.00 0.00 C ATOM 0 H VAL A 21 -6.487 0.626 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.846 -0.559 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.971 1.363 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.595 -0.666 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.299 -0.954 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.644 -1.593 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.018 0.890 -7.359 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.062 -0.040 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.307 1.713 -8.270 1.00 0.00 H new ATOM 341 N ARG A 22 -8.276 2.665 -7.295 1.00 0.00 N ATOM 342 CA ARG A 22 -9.106 3.814 -6.827 1.00 0.00 C ATOM 343 C ARG A 22 -10.544 3.346 -6.609 1.00 0.00 C ATOM 344 O ARG A 22 -11.098 3.473 -5.534 1.00 0.00 O ATOM 345 CB ARG A 22 -9.098 4.910 -7.893 1.00 0.00 C ATOM 346 CG ARG A 22 -8.140 6.028 -7.481 1.00 0.00 C ATOM 347 CD ARG A 22 -7.981 7.014 -8.639 1.00 0.00 C ATOM 348 NE ARG A 22 -8.255 8.397 -8.155 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.786 9.276 -8.960 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.475 9.273 -10.228 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.627 10.161 -8.499 1.00 0.00 N ATOM 0 H ARG A 22 -7.726 2.840 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.697 4.200 -5.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.794 4.494 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.103 5.310 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.523 6.543 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.171 5.610 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.972 6.953 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.667 6.757 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.028 8.656 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.817 8.583 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.891 9.960 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.870 10.166 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.041 10.848 -9.129 1.00 0.00 H new ATOM 365 N ASN A 23 -11.147 2.798 -7.625 1.00 0.00 N ATOM 366 CA ASN A 23 -12.534 2.308 -7.512 1.00 0.00 C ATOM 367 C ASN A 23 -12.594 1.233 -6.441 1.00 0.00 C ATOM 368 O ASN A 23 -13.345 1.314 -5.491 1.00 0.00 O ATOM 369 CB ASN A 23 -12.893 1.684 -8.845 1.00 0.00 C ATOM 370 CG ASN A 23 -14.294 2.121 -9.275 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.558 2.288 -10.448 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.211 2.313 -8.366 1.00 0.00 N ATOM 0 H ASN A 23 -10.723 2.670 -8.544 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.216 3.118 -7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.165 1.979 -9.600 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.851 0.597 -8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.149 2.603 -8.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.989 2.173 -7.380 1.00 0.00 H new ATOM 379 N LEU A 24 -11.795 0.222 -6.619 1.00 0.00 N ATOM 380 CA LEU A 24 -11.747 -0.914 -5.655 1.00 0.00 C ATOM 381 C LEU A 24 -11.901 -0.394 -4.221 1.00 0.00 C ATOM 382 O LEU A 24 -12.731 -0.866 -3.469 1.00 0.00 O ATOM 383 CB LEU A 24 -10.393 -1.611 -5.816 1.00 0.00 C ATOM 384 CG LEU A 24 -10.370 -2.969 -5.078 1.00 0.00 C ATOM 385 CD1 LEU A 24 -9.769 -4.035 -5.999 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.517 -2.893 -3.798 1.00 0.00 C ATOM 0 H LEU A 24 -11.158 0.131 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.560 -1.613 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.185 -1.766 -6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.603 -0.969 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.394 -3.224 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.751 -4.994 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.375 -4.120 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.753 -3.750 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.520 -3.863 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.494 -2.622 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.933 -2.141 -3.128 1.00 0.00 H new ATOM 398 N LEU A 25 -11.121 0.582 -3.835 1.00 0.00 N ATOM 399 CA LEU A 25 -11.252 1.127 -2.453 1.00 0.00 C ATOM 400 C LEU A 25 -12.680 1.638 -2.264 1.00 0.00 C ATOM 401 O LEU A 25 -13.359 1.282 -1.322 1.00 0.00 O ATOM 402 CB LEU A 25 -10.269 2.286 -2.246 1.00 0.00 C ATOM 403 CG LEU A 25 -8.865 1.746 -1.942 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.878 2.913 -1.906 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.847 1.030 -0.585 1.00 0.00 C ATOM 0 H LEU A 25 -10.404 1.022 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.029 0.343 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.240 2.911 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.609 2.918 -1.425 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.583 1.036 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.878 2.537 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.876 3.417 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.176 3.618 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.844 0.653 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.134 1.730 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.550 0.197 -0.604 1.00 0.00 H new ATOM 417 N LYS A 26 -13.140 2.472 -3.157 1.00 0.00 N ATOM 418 CA LYS A 26 -14.520 3.005 -3.035 1.00 0.00 C ATOM 419 C LYS A 26 -15.501 1.843 -2.878 1.00 0.00 C ATOM 420 O LYS A 26 -16.376 1.864 -2.035 1.00 0.00 O ATOM 421 CB LYS A 26 -14.873 3.811 -4.288 1.00 0.00 C ATOM 422 CG LYS A 26 -13.877 4.960 -4.457 1.00 0.00 C ATOM 423 CD LYS A 26 -14.592 6.174 -5.052 1.00 0.00 C ATOM 424 CE LYS A 26 -13.565 7.095 -5.714 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.209 8.392 -6.064 1.00 0.00 N ATOM 0 H LYS A 26 -12.616 2.806 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.583 3.654 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.851 3.165 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.886 4.204 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.439 5.219 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.058 4.652 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.332 5.851 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.129 6.712 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.726 7.265 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.163 6.623 -6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.510 9.017 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.996 8.222 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.572 8.844 -5.200 1.00 0.00 H new ATOM 439 N GLU A 27 -15.364 0.827 -3.686 1.00 0.00 N ATOM 440 CA GLU A 27 -16.284 -0.335 -3.583 1.00 0.00 C ATOM 441 C GLU A 27 -16.287 -0.840 -2.141 1.00 0.00 C ATOM 442 O GLU A 27 -17.240 -1.434 -1.679 1.00 0.00 O ATOM 443 CB GLU A 27 -15.807 -1.450 -4.518 1.00 0.00 C ATOM 444 CG GLU A 27 -16.742 -2.655 -4.397 1.00 0.00 C ATOM 445 CD GLU A 27 -16.622 -3.521 -5.652 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.214 -3.160 -6.656 1.00 0.00 O ATOM 447 OE2 GLU A 27 -15.940 -4.531 -5.588 1.00 0.00 O ATOM 0 H GLU A 27 -14.653 0.754 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.292 -0.035 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.789 -1.093 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.788 -1.741 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.487 -3.239 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.771 -2.319 -4.271 1.00 0.00 H new ATOM 454 N LEU A 28 -15.223 -0.598 -1.428 1.00 0.00 N ATOM 455 CA LEU A 28 -15.147 -1.050 -0.011 1.00 0.00 C ATOM 456 C LEU A 28 -15.845 -0.024 0.880 1.00 0.00 C ATOM 457 O LEU A 28 -16.847 -0.303 1.507 1.00 0.00 O ATOM 458 CB LEU A 28 -13.677 -1.164 0.397 1.00 0.00 C ATOM 459 CG LEU A 28 -13.447 -2.466 1.169 1.00 0.00 C ATOM 460 CD1 LEU A 28 -11.971 -2.574 1.557 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.306 -2.472 2.438 1.00 0.00 C ATOM 0 H LEU A 28 -14.398 -0.104 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.634 -2.019 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.042 -1.140 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.395 -0.311 1.014 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.724 -3.312 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.806 -3.501 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.357 -2.572 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.697 -1.726 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.140 -3.400 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.031 -1.625 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.359 -2.395 2.165 1.00 0.00 H new ATOM 473 N GLY A 29 -15.313 1.163 0.937 1.00 0.00 N ATOM 474 CA GLY A 29 -15.917 2.222 1.778 1.00 0.00 C ATOM 475 C GLY A 29 -14.855 3.272 2.097 1.00 0.00 C ATOM 476 O GLY A 29 -14.426 3.414 3.225 1.00 0.00 O ATOM 0 H GLY A 29 -14.475 1.445 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.757 2.682 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.310 1.792 2.699 1.00 0.00 H new ATOM 480 N PHE A 30 -14.413 4.003 1.109 1.00 0.00 N ATOM 481 CA PHE A 30 -13.365 5.031 1.358 1.00 0.00 C ATOM 482 C PHE A 30 -13.526 6.192 0.372 1.00 0.00 C ATOM 483 O PHE A 30 -14.071 6.034 -0.701 1.00 0.00 O ATOM 484 CB PHE A 30 -11.992 4.391 1.173 1.00 0.00 C ATOM 485 CG PHE A 30 -11.794 3.318 2.219 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.664 3.664 3.574 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.732 1.976 1.834 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.470 2.662 4.533 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.539 0.977 2.795 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.408 1.320 4.144 1.00 0.00 C ATOM 0 H PHE A 30 -14.732 3.932 0.143 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.464 5.414 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.910 3.961 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.211 5.147 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.714 4.700 3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.833 1.709 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.368 2.926 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.491 -0.059 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.259 0.549 4.885 1.00 0.00 H new ATOM 500 N ASN A 31 -13.054 7.359 0.727 1.00 0.00 N ATOM 501 CA ASN A 31 -13.183 8.526 -0.195 1.00 0.00 C ATOM 502 C ASN A 31 -12.012 9.494 0.020 1.00 0.00 C ATOM 503 O ASN A 31 -12.201 10.640 0.377 1.00 0.00 O ATOM 504 CB ASN A 31 -14.503 9.249 0.082 1.00 0.00 C ATOM 505 CG ASN A 31 -14.919 10.044 -1.156 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.054 10.234 -2.115 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -16.041 10.498 -1.253 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.586 7.554 1.612 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.169 8.173 -1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.278 8.527 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.392 9.917 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.718 10.350 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.307 11.027 -2.083 1.00 0.00 H new ATOM 514 N ASN A 32 -10.805 9.044 -0.200 1.00 0.00 N ATOM 515 CA ASN A 32 -9.619 9.933 -0.016 1.00 0.00 C ATOM 516 C ASN A 32 -8.366 9.167 -0.443 1.00 0.00 C ATOM 517 O ASN A 32 -7.854 8.343 0.289 1.00 0.00 O ATOM 518 CB ASN A 32 -9.491 10.343 1.457 1.00 0.00 C ATOM 519 CG ASN A 32 -8.935 11.765 1.543 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.965 12.010 2.233 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.511 12.720 0.864 1.00 0.00 N ATOM 0 H ASN A 32 -10.588 8.094 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.737 10.832 -0.621 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.464 10.291 1.946 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.833 9.651 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.147 13.672 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.325 12.514 0.285 1.00 0.00 H new ATOM 528 N VAL A 33 -7.884 9.406 -1.631 1.00 0.00 N ATOM 529 CA VAL A 33 -6.685 8.658 -2.100 1.00 0.00 C ATOM 530 C VAL A 33 -5.864 9.508 -3.079 1.00 0.00 C ATOM 531 O VAL A 33 -6.405 10.315 -3.809 1.00 0.00 O ATOM 532 CB VAL A 33 -7.157 7.387 -2.809 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.155 7.752 -3.911 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.959 6.669 -3.429 1.00 0.00 C ATOM 0 H VAL A 33 -8.265 10.082 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.055 8.413 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.639 6.731 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.489 6.845 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.013 8.260 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.674 8.411 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.298 5.764 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.474 7.327 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.249 6.403 -2.646 1.00 0.00 H new ATOM 544 N GLU A 34 -4.560 9.316 -3.113 1.00 0.00 N ATOM 545 CA GLU A 34 -3.703 10.088 -4.059 1.00 0.00 C ATOM 546 C GLU A 34 -2.954 9.099 -4.951 1.00 0.00 C ATOM 547 O GLU A 34 -3.250 7.919 -4.962 1.00 0.00 O ATOM 548 CB GLU A 34 -2.711 10.947 -3.276 1.00 0.00 C ATOM 549 CG GLU A 34 -3.311 12.340 -3.064 1.00 0.00 C ATOM 550 CD GLU A 34 -3.127 13.174 -4.333 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.812 12.594 -5.359 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.306 14.379 -4.257 1.00 0.00 O ATOM 0 H GLU A 34 -4.058 8.654 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.319 10.745 -4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.489 10.483 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.769 11.022 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.370 12.258 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.827 12.831 -2.220 1.00 0.00 H new ATOM 559 N GLU A 35 -1.995 9.563 -5.703 1.00 0.00 N ATOM 560 CA GLU A 35 -1.251 8.635 -6.600 1.00 0.00 C ATOM 561 C GLU A 35 0.203 9.081 -6.746 1.00 0.00 C ATOM 562 O GLU A 35 0.526 10.246 -6.637 1.00 0.00 O ATOM 563 CB GLU A 35 -1.904 8.623 -7.987 1.00 0.00 C ATOM 564 CG GLU A 35 -3.428 8.699 -7.853 1.00 0.00 C ATOM 565 CD GLU A 35 -4.064 8.627 -9.242 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.323 8.636 -10.211 1.00 0.00 O ATOM 567 OE2 GLU A 35 -5.279 8.567 -9.313 1.00 0.00 O ATOM 0 H GLU A 35 -1.696 10.538 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.280 7.637 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.541 9.465 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.623 7.716 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.791 7.880 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.715 9.626 -7.357 1.00 0.00 H new ATOM 574 N ALA A 36 1.076 8.147 -7.013 1.00 0.00 N ATOM 575 CA ALA A 36 2.517 8.479 -7.195 1.00 0.00 C ATOM 576 C ALA A 36 3.043 7.692 -8.399 1.00 0.00 C ATOM 577 O ALA A 36 2.380 6.804 -8.898 1.00 0.00 O ATOM 578 CB ALA A 36 3.298 8.094 -5.938 1.00 0.00 C ATOM 0 H ALA A 36 0.849 7.158 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 36 2.639 9.549 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.351 8.338 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.906 8.645 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.194 7.024 -5.759 1.00 0.00 H new ATOM 584 N GLU A 37 4.214 8.017 -8.881 1.00 0.00 N ATOM 585 CA GLU A 37 4.760 7.290 -10.067 1.00 0.00 C ATOM 586 C GLU A 37 5.774 6.230 -9.626 1.00 0.00 C ATOM 587 O GLU A 37 6.298 5.498 -10.441 1.00 0.00 O ATOM 588 CB GLU A 37 5.449 8.287 -11.001 1.00 0.00 C ATOM 589 CG GLU A 37 4.773 9.655 -10.881 1.00 0.00 C ATOM 590 CD GLU A 37 5.338 10.601 -11.943 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.547 10.637 -12.093 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.550 11.273 -12.589 1.00 0.00 O ATOM 0 H GLU A 37 4.815 8.752 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 37 3.937 6.799 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.506 8.369 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.396 7.933 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.695 9.552 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.939 10.068 -9.886 1.00 0.00 H new ATOM 599 N ASP A 38 6.059 6.132 -8.354 1.00 0.00 N ATOM 600 CA ASP A 38 7.043 5.108 -7.894 1.00 0.00 C ATOM 601 C ASP A 38 7.407 5.366 -6.431 1.00 0.00 C ATOM 602 O ASP A 38 6.908 6.282 -5.808 1.00 0.00 O ATOM 603 CB ASP A 38 8.316 5.182 -8.747 1.00 0.00 C ATOM 604 CG ASP A 38 8.333 4.019 -9.741 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.215 2.887 -9.301 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.464 4.280 -10.925 1.00 0.00 O ATOM 0 H ASP A 38 5.656 6.712 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 38 6.596 4.119 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.354 6.131 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.198 5.141 -8.108 1.00 0.00 H new ATOM 611 N GLY A 39 8.275 4.565 -5.881 1.00 0.00 N ATOM 612 CA GLY A 39 8.674 4.761 -4.460 1.00 0.00 C ATOM 613 C GLY A 39 9.248 6.168 -4.277 1.00 0.00 C ATOM 614 O GLY A 39 8.863 6.888 -3.383 1.00 0.00 O ATOM 0 H GLY A 39 8.726 3.782 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.812 4.621 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.415 4.015 -4.174 1.00 0.00 H new ATOM 618 N VAL A 40 10.163 6.570 -5.117 1.00 0.00 N ATOM 619 CA VAL A 40 10.742 7.935 -4.975 1.00 0.00 C ATOM 620 C VAL A 40 9.605 8.952 -4.961 1.00 0.00 C ATOM 621 O VAL A 40 9.608 9.905 -4.205 1.00 0.00 O ATOM 622 CB VAL A 40 11.671 8.230 -6.157 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.298 9.615 -5.984 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.778 7.177 -6.212 1.00 0.00 C ATOM 0 H VAL A 40 10.532 6.016 -5.890 1.00 0.00 H new ATOM 0 HA VAL A 40 11.312 7.997 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 40 11.096 8.204 -7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.959 9.823 -6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.511 10.368 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.872 9.642 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.439 7.387 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.351 7.203 -5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.335 6.189 -6.337 1.00 0.00 H new ATOM 634 N ASP A 41 8.624 8.743 -5.791 1.00 0.00 N ATOM 635 CA ASP A 41 7.475 9.677 -5.840 1.00 0.00 C ATOM 636 C ASP A 41 6.689 9.574 -4.537 1.00 0.00 C ATOM 637 O ASP A 41 6.266 10.564 -3.974 1.00 0.00 O ATOM 638 CB ASP A 41 6.579 9.287 -7.010 1.00 0.00 C ATOM 639 CG ASP A 41 5.769 10.504 -7.464 1.00 0.00 C ATOM 640 OD1 ASP A 41 6.256 11.233 -8.311 1.00 0.00 O ATOM 641 OD2 ASP A 41 4.675 10.685 -6.956 1.00 0.00 O ATOM 0 H ASP A 41 8.571 7.959 -6.441 1.00 0.00 H new ATOM 0 HA ASP A 41 7.827 10.701 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.184 8.912 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.908 8.481 -6.714 1.00 0.00 H new ATOM 646 N ALA A 42 6.491 8.380 -4.051 1.00 0.00 N ATOM 647 CA ALA A 42 5.734 8.219 -2.781 1.00 0.00 C ATOM 648 C ALA A 42 6.535 8.828 -1.632 1.00 0.00 C ATOM 649 O ALA A 42 6.061 9.695 -0.939 1.00 0.00 O ATOM 650 CB ALA A 42 5.498 6.736 -2.497 1.00 0.00 C ATOM 0 H ALA A 42 6.819 7.513 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 42 4.773 8.725 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.943 6.628 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.926 6.296 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.457 6.225 -2.410 1.00 0.00 H new ATOM 656 N LEU A 43 7.744 8.372 -1.429 1.00 0.00 N ATOM 657 CA LEU A 43 8.586 8.915 -0.320 1.00 0.00 C ATOM 658 C LEU A 43 8.441 10.437 -0.249 1.00 0.00 C ATOM 659 O LEU A 43 8.325 11.009 0.817 1.00 0.00 O ATOM 660 CB LEU A 43 10.056 8.554 -0.577 1.00 0.00 C ATOM 661 CG LEU A 43 10.930 9.020 0.597 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.519 8.291 1.880 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.396 8.707 0.288 1.00 0.00 C ATOM 0 H LEU A 43 8.187 7.642 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 43 8.258 8.481 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.156 7.477 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.397 9.021 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 43 10.799 10.093 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.145 8.628 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.474 8.508 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.645 7.217 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.021 9.036 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.517 7.633 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.696 9.229 -0.621 1.00 0.00 H new ATOM 675 N ASN A 44 8.453 11.101 -1.372 1.00 0.00 N ATOM 676 CA ASN A 44 8.322 12.586 -1.356 1.00 0.00 C ATOM 677 C ASN A 44 6.891 12.979 -0.975 1.00 0.00 C ATOM 678 O ASN A 44 6.665 13.978 -0.323 1.00 0.00 O ATOM 679 CB ASN A 44 8.648 13.141 -2.744 1.00 0.00 C ATOM 680 CG ASN A 44 10.160 13.324 -2.879 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.804 13.831 -1.982 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.758 12.932 -3.970 1.00 0.00 N ATOM 0 H ASN A 44 8.547 10.682 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 44 9.015 12.999 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.283 12.461 -3.514 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.141 14.094 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.766 13.051 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.218 12.506 -4.723 1.00 0.00 H new ATOM 689 N LYS A 45 5.923 12.210 -1.389 1.00 0.00 N ATOM 690 CA LYS A 45 4.507 12.549 -1.061 1.00 0.00 C ATOM 691 C LYS A 45 4.090 11.902 0.265 1.00 0.00 C ATOM 692 O LYS A 45 3.081 12.251 0.840 1.00 0.00 O ATOM 693 CB LYS A 45 3.596 12.039 -2.181 1.00 0.00 C ATOM 694 CG LYS A 45 3.800 12.894 -3.434 1.00 0.00 C ATOM 695 CD LYS A 45 2.806 12.464 -4.513 1.00 0.00 C ATOM 696 CE LYS A 45 1.718 13.531 -4.658 1.00 0.00 C ATOM 697 NZ LYS A 45 1.231 13.934 -3.310 1.00 0.00 N ATOM 0 H LYS A 45 6.049 11.361 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 45 4.417 13.631 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.820 10.995 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.554 12.082 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.660 13.948 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.821 12.784 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.322 12.324 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.358 11.506 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.113 14.398 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.891 13.143 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.319 14.426 -3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.109 13.088 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.924 14.570 -2.866 1.00 0.00 H new ATOM 711 N LEU A 46 4.856 10.968 0.757 1.00 0.00 N ATOM 712 CA LEU A 46 4.495 10.306 2.043 1.00 0.00 C ATOM 713 C LEU A 46 4.548 11.349 3.159 1.00 0.00 C ATOM 714 O LEU A 46 3.996 11.166 4.225 1.00 0.00 O ATOM 715 CB LEU A 46 5.506 9.187 2.338 1.00 0.00 C ATOM 716 CG LEU A 46 4.840 7.800 2.277 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.871 7.634 3.445 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.070 7.631 0.966 1.00 0.00 C ATOM 0 H LEU A 46 5.717 10.634 0.324 1.00 0.00 H new ATOM 0 HA LEU A 46 3.494 9.879 1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.322 9.233 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.943 9.340 3.325 1.00 0.00 H new ATOM 0 HG LEU A 46 5.623 7.044 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.405 6.650 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.414 7.729 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.101 8.404 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.606 6.645 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.298 8.397 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.757 7.730 0.125 1.00 0.00 H new ATOM 730 N GLN A 47 5.211 12.446 2.913 1.00 0.00 N ATOM 731 CA GLN A 47 5.306 13.512 3.949 1.00 0.00 C ATOM 732 C GLN A 47 4.083 14.424 3.848 1.00 0.00 C ATOM 733 O GLN A 47 3.916 15.341 4.628 1.00 0.00 O ATOM 734 CB GLN A 47 6.577 14.333 3.715 1.00 0.00 C ATOM 735 CG GLN A 47 6.984 15.026 5.017 1.00 0.00 C ATOM 736 CD GLN A 47 7.984 16.143 4.710 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.599 17.272 4.479 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.261 15.874 4.697 1.00 0.00 N ATOM 0 H GLN A 47 5.692 12.650 2.037 1.00 0.00 H new ATOM 0 HA GLN A 47 5.342 13.060 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.382 13.685 3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.405 15.074 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.105 15.437 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.428 14.304 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.585 14.926 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.935 16.611 4.493 1.00 0.00 H new ATOM 747 N ALA A 48 3.229 14.182 2.888 1.00 0.00 N ATOM 748 CA ALA A 48 2.019 15.032 2.732 1.00 0.00 C ATOM 749 C ALA A 48 1.365 15.244 4.099 1.00 0.00 C ATOM 750 O ALA A 48 1.443 16.310 4.675 1.00 0.00 O ATOM 751 CB ALA A 48 1.027 14.342 1.793 1.00 0.00 C ATOM 0 H ALA A 48 3.320 13.430 2.205 1.00 0.00 H new ATOM 0 HA ALA A 48 2.305 15.997 2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.140 14.965 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.492 14.191 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.741 13.377 2.211 1.00 0.00 H new ATOM 757 N GLY A 49 0.722 14.235 4.622 1.00 0.00 N ATOM 758 CA GLY A 49 0.067 14.381 5.953 1.00 0.00 C ATOM 759 C GLY A 49 0.131 13.051 6.706 1.00 0.00 C ATOM 760 O GLY A 49 -0.475 12.887 7.746 1.00 0.00 O ATOM 0 H GLY A 49 0.622 13.318 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.563 15.161 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.971 14.689 5.827 1.00 0.00 H new ATOM 764 N GLY A 50 0.856 12.096 6.189 1.00 0.00 N ATOM 765 CA GLY A 50 0.946 10.777 6.876 1.00 0.00 C ATOM 766 C GLY A 50 -0.169 9.878 6.357 1.00 0.00 C ATOM 767 O GLY A 50 -1.135 9.604 7.040 1.00 0.00 O ATOM 0 H GLY A 50 1.389 12.172 5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.918 10.320 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.856 10.906 7.955 1.00 0.00 H new ATOM 771 N TYR A 51 -0.047 9.428 5.143 1.00 0.00 N ATOM 772 CA TYR A 51 -1.098 8.561 4.558 1.00 0.00 C ATOM 773 C TYR A 51 -1.468 7.454 5.535 1.00 0.00 C ATOM 774 O TYR A 51 -0.680 6.576 5.825 1.00 0.00 O ATOM 775 CB TYR A 51 -0.582 7.949 3.262 1.00 0.00 C ATOM 776 CG TYR A 51 -0.759 8.951 2.159 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.958 8.998 1.441 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.269 9.849 1.869 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.126 9.949 0.430 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.104 10.797 0.858 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.093 10.849 0.138 1.00 0.00 C ATOM 782 OH TYR A 51 -1.253 11.791 -0.855 1.00 0.00 O ATOM 0 H TYR A 51 0.742 9.626 4.528 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.985 9.161 4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.469 7.678 3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.126 7.033 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.752 8.302 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.193 9.810 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.051 9.990 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.901 11.490 0.632 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.635 12.608 -0.472 1.00 0.00 H new ATOM 792 N GLY A 52 -2.668 7.482 6.034 1.00 0.00 N ATOM 793 CA GLY A 52 -3.092 6.423 6.979 1.00 0.00 C ATOM 794 C GLY A 52 -3.003 5.077 6.270 1.00 0.00 C ATOM 795 O GLY A 52 -3.254 4.042 6.851 1.00 0.00 O ATOM 0 H GLY A 52 -3.371 8.192 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.455 6.428 7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.111 6.605 7.319 1.00 0.00 H new ATOM 799 N PHE A 53 -2.666 5.076 5.006 1.00 0.00 N ATOM 800 CA PHE A 53 -2.582 3.786 4.278 1.00 0.00 C ATOM 801 C PHE A 53 -1.856 3.985 2.941 1.00 0.00 C ATOM 802 O PHE A 53 -2.025 4.987 2.272 1.00 0.00 O ATOM 803 CB PHE A 53 -3.999 3.299 4.035 1.00 0.00 C ATOM 804 CG PHE A 53 -4.047 1.800 4.000 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.569 1.115 2.888 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.600 1.097 5.069 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.639 -0.272 2.841 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.676 -0.292 5.026 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.195 -0.983 3.908 1.00 0.00 C ATOM 0 H PHE A 53 -2.448 5.907 4.455 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.024 3.054 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.656 3.670 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.370 3.702 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.143 1.662 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.970 1.631 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.263 -0.802 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.106 -0.836 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.253 -2.061 3.870 1.00 0.00 H new ATOM 819 N VAL A 54 -1.037 3.042 2.553 1.00 0.00 N ATOM 820 CA VAL A 54 -0.293 3.188 1.264 1.00 0.00 C ATOM 821 C VAL A 54 -0.290 1.864 0.493 1.00 0.00 C ATOM 822 O VAL A 54 0.402 0.927 0.842 1.00 0.00 O ATOM 823 CB VAL A 54 1.156 3.592 1.563 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.039 3.298 0.348 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.248 5.085 1.904 1.00 0.00 C ATOM 0 H VAL A 54 -0.851 2.182 3.069 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.784 3.951 0.659 1.00 0.00 H new ATOM 0 HB VAL A 54 1.500 3.013 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.067 3.587 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.002 2.233 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.678 3.865 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.285 5.347 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.887 5.674 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.637 5.296 2.782 1.00 0.00 H new ATOM 835 N ILE A 55 -1.030 1.804 -0.580 1.00 0.00 N ATOM 836 CA ILE A 55 -1.048 0.573 -1.420 1.00 0.00 C ATOM 837 C ILE A 55 0.063 0.743 -2.465 1.00 0.00 C ATOM 838 O ILE A 55 -0.180 1.112 -3.602 1.00 0.00 O ATOM 839 CB ILE A 55 -2.406 0.455 -2.123 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.463 -0.001 -1.114 1.00 0.00 C ATOM 841 CG2 ILE A 55 -2.314 -0.565 -3.260 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.856 0.153 -1.730 1.00 0.00 C ATOM 0 H ILE A 55 -1.627 2.561 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.892 -0.323 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.685 1.426 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.290 -1.040 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.390 0.591 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.281 -0.645 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.563 -0.241 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.032 -1.537 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.609 -0.172 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.027 1.198 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.925 -0.458 -2.630 1.00 0.00 H new ATOM 854 N SER A 56 1.289 0.529 -2.075 1.00 0.00 N ATOM 855 CA SER A 56 2.417 0.724 -3.028 1.00 0.00 C ATOM 856 C SER A 56 2.684 -0.557 -3.816 1.00 0.00 C ATOM 857 O SER A 56 2.399 -1.649 -3.366 1.00 0.00 O ATOM 858 CB SER A 56 3.677 1.109 -2.253 1.00 0.00 C ATOM 859 OG SER A 56 3.776 0.304 -1.086 1.00 0.00 O ATOM 0 H SER A 56 1.558 0.228 -1.138 1.00 0.00 H new ATOM 0 HA SER A 56 2.150 1.518 -3.726 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.559 0.972 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.641 2.163 -1.979 1.00 0.00 H new ATOM 0 HG SER A 56 4.488 -0.358 -1.205 1.00 0.00 H new ATOM 865 N ASP A 57 3.243 -0.418 -4.987 1.00 0.00 N ATOM 866 CA ASP A 57 3.554 -1.608 -5.826 1.00 0.00 C ATOM 867 C ASP A 57 5.052 -1.900 -5.736 1.00 0.00 C ATOM 868 O ASP A 57 5.821 -1.096 -5.248 1.00 0.00 O ATOM 869 CB ASP A 57 3.176 -1.317 -7.279 1.00 0.00 C ATOM 870 CG ASP A 57 4.417 -0.864 -8.049 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.915 0.209 -7.752 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.849 -1.598 -8.923 1.00 0.00 O ATOM 0 H ASP A 57 3.500 0.478 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 57 2.989 -2.470 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.754 -2.209 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.409 -0.544 -7.318 1.00 0.00 H new ATOM 877 N TRP A 58 5.475 -3.041 -6.201 1.00 0.00 N ATOM 878 CA TRP A 58 6.924 -3.375 -6.137 1.00 0.00 C ATOM 879 C TRP A 58 7.719 -2.358 -6.963 1.00 0.00 C ATOM 880 O TRP A 58 7.976 -2.552 -8.135 1.00 0.00 O ATOM 881 CB TRP A 58 7.141 -4.787 -6.692 1.00 0.00 C ATOM 882 CG TRP A 58 8.339 -5.403 -6.047 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.529 -5.613 -6.656 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.484 -5.898 -4.685 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.394 -6.204 -5.755 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.797 -6.400 -4.527 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.612 -5.957 -3.584 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.229 -6.942 -3.317 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.045 -6.503 -2.365 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.349 -6.994 -2.232 1.00 0.00 C ATOM 0 H TRP A 58 4.881 -3.756 -6.622 1.00 0.00 H new ATOM 0 HA TRP A 58 7.267 -3.339 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.260 -5.401 -6.506 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.278 -4.746 -7.773 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.764 -5.360 -7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.356 -6.464 -5.971 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.604 -5.580 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.236 -7.319 -3.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.368 -6.544 -1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.675 -7.413 -1.291 1.00 0.00 H new ATOM 901 N ASN A 59 8.112 -1.271 -6.358 1.00 0.00 N ATOM 902 CA ASN A 59 8.890 -0.243 -7.105 1.00 0.00 C ATOM 903 C ASN A 59 10.192 -0.867 -7.607 1.00 0.00 C ATOM 904 O ASN A 59 10.957 -1.415 -6.838 1.00 0.00 O ATOM 905 CB ASN A 59 9.213 0.927 -6.176 1.00 0.00 C ATOM 906 CG ASN A 59 7.918 1.466 -5.566 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.927 1.919 -4.342 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 6.888 1.477 -6.210 1.00 0.00 N flip ATOM 0 H ASN A 59 7.928 -1.050 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 59 8.304 0.117 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.892 0.602 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.722 1.715 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.881 1.123 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.030 1.840 -5.794 1.00 0.00 H new ATOM 915 N MET A 60 10.448 -0.785 -8.890 1.00 0.00 N ATOM 916 CA MET A 60 11.701 -1.369 -9.444 1.00 0.00 C ATOM 917 C MET A 60 12.450 -0.386 -10.377 1.00 0.00 C ATOM 918 O MET A 60 13.129 -0.836 -11.278 1.00 0.00 O ATOM 919 CB MET A 60 11.343 -2.627 -10.240 1.00 0.00 C ATOM 920 CG MET A 60 12.533 -3.590 -10.249 1.00 0.00 C ATOM 921 SD MET A 60 12.105 -5.076 -11.193 1.00 0.00 S ATOM 922 CE MET A 60 11.902 -4.284 -12.809 1.00 0.00 C ATOM 0 H MET A 60 9.840 -0.337 -9.576 1.00 0.00 H new ATOM 0 HA MET A 60 12.361 -1.598 -8.607 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.473 -3.113 -9.798 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.073 -2.358 -11.261 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.403 -3.105 -10.691 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.803 -3.861 -9.228 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.126 -5.003 -13.597 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.875 -3.935 -12.917 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.583 -3.437 -12.887 1.00 0.00 H new ATOM 932 N PRO A 61 12.361 0.918 -10.149 1.00 0.00 N ATOM 933 CA PRO A 61 13.093 1.878 -10.996 1.00 0.00 C ATOM 934 C PRO A 61 14.586 1.547 -10.939 1.00 0.00 C ATOM 935 O PRO A 61 15.216 1.258 -11.936 1.00 0.00 O ATOM 936 CB PRO A 61 12.833 3.252 -10.362 1.00 0.00 C ATOM 937 CG PRO A 61 11.934 3.032 -9.120 1.00 0.00 C ATOM 938 CD PRO A 61 11.557 1.544 -9.077 1.00 0.00 C ATOM 0 HA PRO A 61 12.778 1.850 -12.039 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.772 3.726 -10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.345 3.917 -11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.461 3.320 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.040 3.652 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.785 1.106 -8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.490 1.401 -9.248 1.00 0.00 H new ATOM 946 N ASN A 62 15.143 1.577 -9.758 1.00 0.00 N ATOM 947 CA ASN A 62 16.587 1.258 -9.582 1.00 0.00 C ATOM 948 C ASN A 62 16.813 0.866 -8.121 1.00 0.00 C ATOM 949 O ASN A 62 17.689 0.089 -7.796 1.00 0.00 O ATOM 950 CB ASN A 62 17.432 2.491 -9.917 1.00 0.00 C ATOM 951 CG ASN A 62 17.090 2.979 -11.325 1.00 0.00 C ATOM 952 OD1 ASN A 62 16.080 3.789 -11.495 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 17.748 2.621 -12.282 1.00 0.00 N flip ATOM 0 H ASN A 62 14.650 1.813 -8.896 1.00 0.00 H new ATOM 0 HA ASN A 62 16.876 0.442 -10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.243 3.282 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.492 2.246 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.537 1.988 -12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.511 2.953 -13.217 1.00 0.00 H new ATOM 960 N MET A 63 16.008 1.403 -7.242 1.00 0.00 N ATOM 961 CA MET A 63 16.130 1.086 -5.791 1.00 0.00 C ATOM 962 C MET A 63 14.983 1.779 -5.051 1.00 0.00 C ATOM 963 O MET A 63 14.962 2.985 -4.917 1.00 0.00 O ATOM 964 CB MET A 63 17.472 1.599 -5.255 1.00 0.00 C ATOM 965 CG MET A 63 17.592 3.104 -5.509 1.00 0.00 C ATOM 966 SD MET A 63 17.313 4.000 -3.960 1.00 0.00 S ATOM 967 CE MET A 63 19.050 4.175 -3.485 1.00 0.00 C ATOM 0 H MET A 63 15.261 2.057 -7.473 1.00 0.00 H new ATOM 0 HA MET A 63 16.083 0.008 -5.639 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.550 1.394 -4.187 1.00 0.00 H new ATOM 0 HB3 MET A 63 18.293 1.072 -5.741 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.580 3.339 -5.905 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.865 3.417 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.116 4.710 -2.538 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.499 3.188 -3.376 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.583 4.733 -4.255 1.00 0.00 H new ATOM 977 N ASP A 64 14.018 1.034 -4.582 1.00 0.00 N ATOM 978 CA ASP A 64 12.873 1.674 -3.874 1.00 0.00 C ATOM 979 C ASP A 64 11.911 0.602 -3.354 1.00 0.00 C ATOM 980 O ASP A 64 12.181 -0.581 -3.428 1.00 0.00 O ATOM 981 CB ASP A 64 12.132 2.582 -4.856 1.00 0.00 C ATOM 982 CG ASP A 64 12.568 4.032 -4.643 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.183 4.605 -3.638 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.283 4.545 -5.488 1.00 0.00 O ATOM 0 H ASP A 64 13.973 0.018 -4.658 1.00 0.00 H new ATOM 0 HA ASP A 64 13.247 2.255 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.343 2.275 -5.880 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.056 2.490 -4.711 1.00 0.00 H new ATOM 989 N GLY A 65 10.782 1.011 -2.835 1.00 0.00 N ATOM 990 CA GLY A 65 9.793 0.023 -2.316 1.00 0.00 C ATOM 991 C GLY A 65 10.272 -0.526 -0.968 1.00 0.00 C ATOM 992 O GLY A 65 9.730 -0.200 0.069 1.00 0.00 O ATOM 0 H GLY A 65 10.503 1.988 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.818 0.496 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.670 -0.792 -3.029 1.00 0.00 H new ATOM 996 N LEU A 66 11.287 -1.345 -0.967 1.00 0.00 N ATOM 997 CA LEU A 66 11.791 -1.892 0.324 1.00 0.00 C ATOM 998 C LEU A 66 12.369 -0.741 1.148 1.00 0.00 C ATOM 999 O LEU A 66 11.849 -0.389 2.189 1.00 0.00 O ATOM 1000 CB LEU A 66 12.875 -2.940 0.055 1.00 0.00 C ATOM 1001 CG LEU A 66 12.344 -4.341 0.380 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.061 -4.453 1.882 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.051 -4.597 -0.404 1.00 0.00 C ATOM 0 H LEU A 66 11.787 -1.658 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 66 10.977 -2.366 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.186 -2.893 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.756 -2.727 0.660 1.00 0.00 H new ATOM 0 HG LEU A 66 13.093 -5.081 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.684 -5.450 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.981 -4.278 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.316 -3.710 2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.676 -5.593 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.304 -3.854 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.253 -4.526 -1.473 1.00 0.00 H new ATOM 1015 N GLU A 67 13.427 -0.135 0.679 1.00 0.00 N ATOM 1016 CA GLU A 67 14.011 1.011 1.427 1.00 0.00 C ATOM 1017 C GLU A 67 12.876 1.980 1.752 1.00 0.00 C ATOM 1018 O GLU A 67 12.965 2.800 2.645 1.00 0.00 O ATOM 1019 CB GLU A 67 15.056 1.710 0.555 1.00 0.00 C ATOM 1020 CG GLU A 67 15.746 2.811 1.360 1.00 0.00 C ATOM 1021 CD GLU A 67 16.759 3.535 0.470 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.148 2.964 -0.535 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.125 4.649 0.807 1.00 0.00 O ATOM 0 H GLU A 67 13.908 -0.384 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 67 14.493 0.669 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.792 0.987 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.580 2.136 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.007 3.518 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.249 2.382 2.227 1.00 0.00 H new ATOM 1030 N LEU A 68 11.802 1.866 1.023 1.00 0.00 N ATOM 1031 CA LEU A 68 10.623 2.741 1.249 1.00 0.00 C ATOM 1032 C LEU A 68 9.937 2.311 2.548 1.00 0.00 C ATOM 1033 O LEU A 68 9.847 3.061 3.499 1.00 0.00 O ATOM 1034 CB LEU A 68 9.663 2.554 0.069 1.00 0.00 C ATOM 1035 CG LEU A 68 9.160 3.902 -0.444 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.219 4.531 -1.360 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.869 3.680 -1.239 1.00 0.00 C ATOM 0 H LEU A 68 11.691 1.190 0.267 1.00 0.00 H new ATOM 0 HA LEU A 68 10.919 3.787 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.169 2.020 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.817 1.939 0.377 1.00 0.00 H new ATOM 0 HG LEU A 68 8.969 4.568 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.859 5.493 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.143 4.678 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.408 3.869 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.501 4.637 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.069 3.017 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.117 3.228 -0.592 1.00 0.00 H new ATOM 1049 N LEU A 69 9.468 1.095 2.592 1.00 0.00 N ATOM 1050 CA LEU A 69 8.796 0.578 3.820 1.00 0.00 C ATOM 1051 C LEU A 69 9.636 0.949 5.043 1.00 0.00 C ATOM 1052 O LEU A 69 9.201 1.679 5.912 1.00 0.00 O ATOM 1053 CB LEU A 69 8.708 -0.945 3.705 1.00 0.00 C ATOM 1054 CG LEU A 69 7.460 -1.503 4.411 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.274 -2.973 4.015 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.596 -1.433 5.944 1.00 0.00 C ATOM 0 H LEU A 69 9.522 0.429 1.821 1.00 0.00 H new ATOM 0 HA LEU A 69 7.800 1.008 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.687 -1.229 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.602 -1.394 4.139 1.00 0.00 H new ATOM 0 HG LEU A 69 6.606 -0.899 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.391 -3.375 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.147 -3.046 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.152 -3.545 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.696 -1.836 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.460 -2.018 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.729 -0.395 6.250 1.00 0.00 H new ATOM 1068 N LYS A 70 10.837 0.435 5.114 1.00 0.00 N ATOM 1069 CA LYS A 70 11.724 0.737 6.276 1.00 0.00 C ATOM 1070 C LYS A 70 11.637 2.225 6.626 1.00 0.00 C ATOM 1071 O LYS A 70 11.428 2.590 7.765 1.00 0.00 O ATOM 1072 CB LYS A 70 13.170 0.380 5.918 1.00 0.00 C ATOM 1073 CG LYS A 70 13.936 0.014 7.190 1.00 0.00 C ATOM 1074 CD LYS A 70 15.439 0.037 6.908 1.00 0.00 C ATOM 1075 CE LYS A 70 16.152 -0.930 7.854 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.741 -2.328 7.539 1.00 0.00 N ATOM 0 H LYS A 70 11.243 -0.184 4.413 1.00 0.00 H new ATOM 0 HA LYS A 70 11.403 0.149 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.187 -0.455 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.651 1.222 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.694 0.717 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.636 -0.975 7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.629 -0.244 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.829 1.046 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.232 -0.825 7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.905 -0.692 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.536 -2.973 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.934 -2.596 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.465 -2.392 6.538 1.00 0.00 H new ATOM 1090 N THR A 71 11.791 3.087 5.658 1.00 0.00 N ATOM 1091 CA THR A 71 11.708 4.545 5.952 1.00 0.00 C ATOM 1092 C THR A 71 10.290 4.890 6.412 1.00 0.00 C ATOM 1093 O THR A 71 10.087 5.766 7.228 1.00 0.00 O ATOM 1094 CB THR A 71 12.045 5.344 4.690 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.695 4.582 3.543 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.542 5.652 4.665 1.00 0.00 C ATOM 0 H THR A 71 11.969 2.847 4.683 1.00 0.00 H new ATOM 0 HA THR A 71 12.419 4.798 6.739 1.00 0.00 H new ATOM 0 HB THR A 71 11.485 6.279 4.689 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.462 4.040 3.264 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.781 6.221 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.808 6.236 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.105 4.719 4.665 1.00 0.00 H new ATOM 1104 N ILE A 72 9.306 4.202 5.896 1.00 0.00 N ATOM 1105 CA ILE A 72 7.903 4.487 6.306 1.00 0.00 C ATOM 1106 C ILE A 72 7.670 3.950 7.721 1.00 0.00 C ATOM 1107 O ILE A 72 6.791 4.399 8.430 1.00 0.00 O ATOM 1108 CB ILE A 72 6.937 3.797 5.339 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.084 4.412 3.940 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.501 3.990 5.831 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.581 3.429 2.872 1.00 0.00 C ATOM 0 H ILE A 72 9.415 3.456 5.209 1.00 0.00 H new ATOM 0 HA ILE A 72 7.731 5.563 6.287 1.00 0.00 H new ATOM 0 HB ILE A 72 7.168 2.733 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.519 5.343 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.128 4.661 3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.812 3.499 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.395 3.554 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.272 5.055 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.691 3.877 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.164 2.510 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.530 3.202 3.053 1.00 0.00 H new ATOM 1123 N ARG A 73 8.450 2.990 8.138 1.00 0.00 N ATOM 1124 CA ARG A 73 8.273 2.420 9.504 1.00 0.00 C ATOM 1125 C ARG A 73 9.095 3.230 10.509 1.00 0.00 C ATOM 1126 O ARG A 73 8.746 3.332 11.669 1.00 0.00 O ATOM 1127 CB ARG A 73 8.747 0.965 9.513 1.00 0.00 C ATOM 1128 CG ARG A 73 8.466 0.343 10.883 1.00 0.00 C ATOM 1129 CD ARG A 73 7.568 -0.884 10.713 1.00 0.00 C ATOM 1130 NE ARG A 73 7.207 -1.426 12.053 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.143 -1.725 12.910 1.00 0.00 C ATOM 1132 NH1 ARG A 73 8.717 -2.896 12.868 1.00 0.00 N ATOM 1133 NH2 ARG A 73 8.507 -0.852 13.810 1.00 0.00 N ATOM 0 H ARG A 73 9.204 2.575 7.590 1.00 0.00 H new ATOM 0 HA ARG A 73 7.220 2.463 9.781 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.235 0.400 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.813 0.918 9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.402 0.058 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.983 1.073 11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.666 -0.614 10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.082 -1.646 10.127 1.00 0.00 H new ATOM 0 HE ARG A 73 6.227 -1.563 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.434 -3.578 12.164 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.449 -3.129 13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.059 0.064 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.239 -1.086 14.481 1.00 0.00 H new ATOM 1147 N ALA A 74 10.184 3.802 10.075 1.00 0.00 N ATOM 1148 CA ALA A 74 11.029 4.603 11.008 1.00 0.00 C ATOM 1149 C ALA A 74 10.140 5.545 11.821 1.00 0.00 C ATOM 1150 O ALA A 74 10.459 5.909 12.936 1.00 0.00 O ATOM 1151 CB ALA A 74 12.040 5.422 10.203 1.00 0.00 C ATOM 0 H ALA A 74 10.526 3.750 9.115 1.00 0.00 H new ATOM 0 HA ALA A 74 11.560 3.933 11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.658 6.008 10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.674 4.750 9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.509 6.092 9.527 1.00 0.00 H new ATOM 1157 N ASP A 75 9.024 5.942 11.273 1.00 0.00 N ATOM 1158 CA ASP A 75 8.113 6.859 12.014 1.00 0.00 C ATOM 1159 C ASP A 75 7.919 6.343 13.442 1.00 0.00 C ATOM 1160 O ASP A 75 7.558 5.203 13.655 1.00 0.00 O ATOM 1161 CB ASP A 75 6.758 6.914 11.305 1.00 0.00 C ATOM 1162 CG ASP A 75 5.885 7.990 11.953 1.00 0.00 C ATOM 1163 OD1 ASP A 75 6.423 9.029 12.304 1.00 0.00 O ATOM 1164 OD2 ASP A 75 4.695 7.760 12.087 1.00 0.00 O ATOM 0 H ASP A 75 8.704 5.671 10.343 1.00 0.00 H new ATOM 0 HA ASP A 75 8.549 7.857 12.044 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.898 7.134 10.247 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.264 5.944 11.367 1.00 0.00 H new ATOM 1169 N GLY A 76 8.156 7.176 14.420 1.00 0.00 N ATOM 1170 CA GLY A 76 7.986 6.736 15.835 1.00 0.00 C ATOM 1171 C GLY A 76 6.603 7.155 16.338 1.00 0.00 C ATOM 1172 O GLY A 76 5.984 6.467 17.127 1.00 0.00 O ATOM 0 H GLY A 76 8.460 8.142 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.098 5.654 15.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.761 7.179 16.460 1.00 0.00 H new ATOM 1176 N ALA A 77 6.113 8.279 15.891 1.00 0.00 N ATOM 1177 CA ALA A 77 4.771 8.743 16.345 1.00 0.00 C ATOM 1178 C ALA A 77 3.743 7.636 16.109 1.00 0.00 C ATOM 1179 O ALA A 77 3.184 7.086 17.038 1.00 0.00 O ATOM 1180 CB ALA A 77 4.367 9.987 15.552 1.00 0.00 C ATOM 0 H ALA A 77 6.584 8.897 15.230 1.00 0.00 H new ATOM 0 HA ALA A 77 4.810 8.984 17.407 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.386 10.327 15.883 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.099 10.777 15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.327 9.745 14.490 1.00 0.00 H new ATOM 1186 N MET A 78 3.489 7.304 14.875 1.00 0.00 N ATOM 1187 CA MET A 78 2.497 6.231 14.583 1.00 0.00 C ATOM 1188 C MET A 78 3.209 4.882 14.533 1.00 0.00 C ATOM 1189 O MET A 78 2.766 3.914 15.119 1.00 0.00 O ATOM 1190 CB MET A 78 1.826 6.508 13.237 1.00 0.00 C ATOM 1191 CG MET A 78 0.527 7.280 13.468 1.00 0.00 C ATOM 1192 SD MET A 78 0.831 8.641 14.622 1.00 0.00 S ATOM 1193 CE MET A 78 -0.901 9.054 14.944 1.00 0.00 C ATOM 0 H MET A 78 3.924 7.728 14.056 1.00 0.00 H new ATOM 0 HA MET A 78 1.739 6.212 15.366 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.495 7.083 12.596 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.618 5.570 12.722 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.149 7.668 12.522 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.238 6.614 13.868 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.952 9.886 15.646 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.387 9.336 14.010 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.408 8.188 15.370 1.00 0.00 H new ATOM 1203 N SER A 79 4.313 4.815 13.843 1.00 0.00 N ATOM 1204 CA SER A 79 5.061 3.528 13.753 1.00 0.00 C ATOM 1205 C SER A 79 4.079 2.395 13.460 1.00 0.00 C ATOM 1206 O SER A 79 4.370 1.237 13.687 1.00 0.00 O ATOM 1207 CB SER A 79 5.770 3.258 15.080 1.00 0.00 C ATOM 1208 OG SER A 79 6.647 2.148 14.926 1.00 0.00 O ATOM 0 H SER A 79 4.731 5.596 13.337 1.00 0.00 H new ATOM 0 HA SER A 79 5.800 3.588 12.954 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.331 4.139 15.392 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.038 3.053 15.861 1.00 0.00 H new ATOM 0 HG SER A 79 6.165 1.407 14.503 1.00 0.00 H new ATOM 1214 N ALA A 80 2.915 2.724 12.963 1.00 0.00 N ATOM 1215 CA ALA A 80 1.906 1.671 12.658 1.00 0.00 C ATOM 1216 C ALA A 80 1.179 2.008 11.355 1.00 0.00 C ATOM 1217 O ALA A 80 0.283 1.300 10.940 1.00 0.00 O ATOM 1218 CB ALA A 80 0.889 1.595 13.800 1.00 0.00 C ATOM 0 H ALA A 80 2.621 3.678 12.756 1.00 0.00 H new ATOM 0 HA ALA A 80 2.412 0.711 12.550 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.150 0.825 13.578 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.403 1.348 14.729 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.389 2.558 13.907 1.00 0.00 H new ATOM 1224 N LEU A 81 1.551 3.079 10.701 1.00 0.00 N ATOM 1225 CA LEU A 81 0.868 3.438 9.423 1.00 0.00 C ATOM 1226 C LEU A 81 0.779 2.169 8.539 1.00 0.00 C ATOM 1227 O LEU A 81 1.802 1.696 8.083 1.00 0.00 O ATOM 1228 CB LEU A 81 1.679 4.509 8.687 1.00 0.00 C ATOM 1229 CG LEU A 81 0.734 5.608 8.179 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.131 6.386 9.355 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.511 6.573 7.282 1.00 0.00 C ATOM 0 H LEU A 81 2.292 3.715 10.994 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.129 3.825 9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.426 4.937 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.217 4.062 7.851 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.073 5.141 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.536 7.160 8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.431 5.704 9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.931 6.848 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.841 7.353 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.322 7.026 7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.924 6.028 6.433 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.411 1.619 8.333 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.556 0.387 7.531 1.00 0.00 C ATOM 1245 C PRO A 82 -0.057 0.549 6.088 1.00 0.00 C ATOM 1246 O PRO A 82 -0.648 1.247 5.284 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.059 0.082 7.525 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.767 1.177 8.353 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.691 2.148 8.862 1.00 0.00 C ATOM 0 HA PRO A 82 0.045 -0.413 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.442 0.068 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.251 -0.903 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.500 1.704 7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.308 0.734 9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.875 3.162 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.680 2.189 9.951 1.00 0.00 H new ATOM 1257 N VAL A 83 0.996 -0.149 5.746 1.00 0.00 N ATOM 1258 CA VAL A 83 1.514 -0.114 4.347 1.00 0.00 C ATOM 1259 C VAL A 83 1.315 -1.495 3.767 1.00 0.00 C ATOM 1260 O VAL A 83 1.885 -2.454 4.244 1.00 0.00 O ATOM 1261 CB VAL A 83 3.020 0.210 4.312 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.732 -0.603 3.203 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.228 1.686 4.020 1.00 0.00 C ATOM 0 H VAL A 83 1.523 -0.747 6.383 1.00 0.00 H new ATOM 0 HA VAL A 83 0.986 0.656 3.785 1.00 0.00 H new ATOM 0 HB VAL A 83 3.438 -0.050 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.794 -0.358 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.607 -1.669 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.297 -0.356 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.295 1.905 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.786 1.932 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.752 2.282 4.799 1.00 0.00 H new ATOM 1273 N LEU A 84 0.535 -1.614 2.740 1.00 0.00 N ATOM 1274 CA LEU A 84 0.354 -2.953 2.145 1.00 0.00 C ATOM 1275 C LEU A 84 1.276 -3.070 0.947 1.00 0.00 C ATOM 1276 O LEU A 84 1.030 -2.505 -0.099 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.084 -3.152 1.694 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.549 -4.586 1.996 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.545 -5.618 1.458 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.703 -4.798 3.510 1.00 0.00 C ATOM 0 H LEU A 84 0.022 -0.854 2.293 1.00 0.00 H new ATOM 0 HA LEU A 84 0.588 -3.714 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.733 -2.438 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.167 -2.954 0.625 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.511 -4.725 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.899 -6.623 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.448 -5.503 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.426 -5.460 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.033 -5.819 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.745 -4.627 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.441 -4.098 3.902 1.00 0.00 H new ATOM 1292 N MET A 85 2.337 -3.798 1.086 1.00 0.00 N ATOM 1293 CA MET A 85 3.258 -3.938 -0.057 1.00 0.00 C ATOM 1294 C MET A 85 2.627 -4.916 -1.065 1.00 0.00 C ATOM 1295 O MET A 85 2.669 -6.122 -0.884 1.00 0.00 O ATOM 1296 CB MET A 85 4.599 -4.483 0.439 1.00 0.00 C ATOM 1297 CG MET A 85 5.694 -4.169 -0.584 1.00 0.00 C ATOM 1298 SD MET A 85 6.032 -2.391 -0.586 1.00 0.00 S ATOM 1299 CE MET A 85 7.625 -2.465 -1.443 1.00 0.00 C ATOM 0 H MET A 85 2.604 -4.298 1.934 1.00 0.00 H new ATOM 0 HA MET A 85 3.428 -2.973 -0.535 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.849 -4.038 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.530 -5.560 0.593 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.602 -4.722 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.381 -4.491 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.719 -1.609 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.433 -2.445 -0.712 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.684 -3.386 -2.023 1.00 0.00 H new ATOM 1309 N VAL A 86 2.008 -4.413 -2.107 1.00 0.00 N ATOM 1310 CA VAL A 86 1.355 -5.317 -3.096 1.00 0.00 C ATOM 1311 C VAL A 86 2.255 -5.511 -4.315 1.00 0.00 C ATOM 1312 O VAL A 86 3.023 -4.646 -4.678 1.00 0.00 O ATOM 1313 CB VAL A 86 0.008 -4.719 -3.522 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.503 -3.773 -2.436 1.00 0.00 C ATOM 1315 CG2 VAL A 86 0.137 -3.943 -4.834 1.00 0.00 C ATOM 0 H VAL A 86 1.929 -3.417 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 86 1.188 -6.290 -2.635 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.693 -5.541 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.460 -3.350 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.631 -4.324 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.217 -2.969 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.834 -3.531 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.853 -3.131 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.484 -4.613 -5.621 1.00 0.00 H new ATOM 1325 N THR A 87 2.157 -6.645 -4.954 1.00 0.00 N ATOM 1326 CA THR A 87 3.003 -6.889 -6.160 1.00 0.00 C ATOM 1327 C THR A 87 2.276 -7.829 -7.124 1.00 0.00 C ATOM 1328 O THR A 87 1.171 -8.264 -6.864 1.00 0.00 O ATOM 1329 CB THR A 87 4.341 -7.508 -5.743 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.069 -7.885 -6.903 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.091 -8.739 -4.875 1.00 0.00 C ATOM 0 H THR A 87 1.533 -7.409 -4.696 1.00 0.00 H new ATOM 0 HA THR A 87 3.190 -5.939 -6.660 1.00 0.00 H new ATOM 0 HB THR A 87 4.915 -6.777 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.274 -7.087 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.045 -9.176 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.534 -8.449 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.515 -9.472 -5.440 1.00 0.00 H new ATOM 1339 N ALA A 88 2.893 -8.145 -8.235 1.00 0.00 N ATOM 1340 CA ALA A 88 2.251 -9.058 -9.228 1.00 0.00 C ATOM 1341 C ALA A 88 2.900 -10.442 -9.143 1.00 0.00 C ATOM 1342 O ALA A 88 2.319 -11.382 -8.639 1.00 0.00 O ATOM 1343 CB ALA A 88 2.441 -8.493 -10.638 1.00 0.00 C ATOM 0 H ALA A 88 3.819 -7.807 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 88 1.186 -9.141 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.973 -9.159 -11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.980 -7.507 -10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.506 -8.410 -10.856 1.00 0.00 H new ATOM 1349 N GLU A 89 4.105 -10.575 -9.630 1.00 0.00 N ATOM 1350 CA GLU A 89 4.790 -11.898 -9.572 1.00 0.00 C ATOM 1351 C GLU A 89 5.335 -12.119 -8.161 1.00 0.00 C ATOM 1352 O GLU A 89 6.507 -12.374 -7.969 1.00 0.00 O ATOM 1353 CB GLU A 89 5.947 -11.921 -10.575 1.00 0.00 C ATOM 1354 CG GLU A 89 6.795 -10.659 -10.405 1.00 0.00 C ATOM 1355 CD GLU A 89 8.278 -11.033 -10.436 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.796 -11.410 -9.397 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.873 -10.934 -11.497 1.00 0.00 O ATOM 0 H GLU A 89 4.643 -9.826 -10.065 1.00 0.00 H new ATOM 0 HA GLU A 89 4.082 -12.688 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.561 -12.808 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.559 -11.977 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.572 -9.948 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.552 -10.169 -9.462 1.00 0.00 H new ATOM 1364 N ALA A 90 4.491 -12.020 -7.170 1.00 0.00 N ATOM 1365 CA ALA A 90 4.959 -12.220 -5.770 1.00 0.00 C ATOM 1366 C ALA A 90 5.752 -13.523 -5.671 1.00 0.00 C ATOM 1367 O ALA A 90 5.198 -14.604 -5.716 1.00 0.00 O ATOM 1368 CB ALA A 90 3.751 -12.291 -4.835 1.00 0.00 C ATOM 0 H ALA A 90 3.498 -11.809 -7.270 1.00 0.00 H new ATOM 0 HA ALA A 90 5.598 -11.385 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.092 -12.437 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.186 -11.361 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.113 -13.125 -5.128 1.00 0.00 H new ATOM 1374 N LYS A 91 7.045 -13.431 -5.526 1.00 0.00 N ATOM 1375 CA LYS A 91 7.869 -14.667 -5.414 1.00 0.00 C ATOM 1376 C LYS A 91 7.856 -15.141 -3.960 1.00 0.00 C ATOM 1377 O LYS A 91 7.270 -14.512 -3.100 1.00 0.00 O ATOM 1378 CB LYS A 91 9.307 -14.368 -5.848 1.00 0.00 C ATOM 1379 CG LYS A 91 9.703 -15.314 -6.985 1.00 0.00 C ATOM 1380 CD LYS A 91 11.109 -14.963 -7.480 1.00 0.00 C ATOM 1381 CE LYS A 91 11.320 -15.549 -8.877 1.00 0.00 C ATOM 1382 NZ LYS A 91 10.908 -14.550 -9.902 1.00 0.00 N ATOM 0 H LYS A 91 7.566 -12.555 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 91 7.459 -15.445 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.391 -13.332 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.986 -14.491 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.676 -16.347 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.988 -15.234 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.238 -13.881 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.857 -15.357 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.367 -15.818 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.738 -16.464 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.051 -14.948 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.903 -14.315 -9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.481 -13.689 -9.797 1.00 0.00 H new ATOM 1396 N LYS A 92 8.491 -16.242 -3.672 1.00 0.00 N ATOM 1397 CA LYS A 92 8.501 -16.745 -2.270 1.00 0.00 C ATOM 1398 C LYS A 92 9.454 -15.895 -1.426 1.00 0.00 C ATOM 1399 O LYS A 92 9.221 -15.661 -0.257 1.00 0.00 O ATOM 1400 CB LYS A 92 8.967 -18.203 -2.254 1.00 0.00 C ATOM 1401 CG LYS A 92 10.398 -18.288 -2.784 1.00 0.00 C ATOM 1402 CD LYS A 92 10.767 -19.754 -3.023 1.00 0.00 C ATOM 1403 CE LYS A 92 10.606 -20.085 -4.507 1.00 0.00 C ATOM 1404 NZ LYS A 92 11.608 -19.318 -5.299 1.00 0.00 N ATOM 0 H LYS A 92 9.002 -16.814 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 92 7.495 -16.680 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.920 -18.600 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.304 -18.814 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.488 -17.723 -3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.089 -17.840 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.794 -19.938 -2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.129 -20.403 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.741 -21.155 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.598 -19.837 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.118 -18.630 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.249 -18.815 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.157 -19.973 -5.892 1.00 0.00 H new ATOM 1418 N GLU A 93 10.531 -15.440 -2.005 1.00 0.00 N ATOM 1419 CA GLU A 93 11.500 -14.621 -1.237 1.00 0.00 C ATOM 1420 C GLU A 93 11.111 -13.141 -1.302 1.00 0.00 C ATOM 1421 O GLU A 93 11.310 -12.398 -0.362 1.00 0.00 O ATOM 1422 CB GLU A 93 12.900 -14.806 -1.824 1.00 0.00 C ATOM 1423 CG GLU A 93 12.972 -14.130 -3.194 1.00 0.00 C ATOM 1424 CD GLU A 93 14.208 -14.631 -3.945 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.424 -15.832 -3.956 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.916 -13.806 -4.497 1.00 0.00 O ATOM 0 H GLU A 93 10.779 -15.603 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 93 11.491 -14.944 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.646 -14.377 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.129 -15.867 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.071 -14.349 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.019 -13.047 -3.075 1.00 0.00 H new ATOM 1433 N ASN A 94 10.568 -12.701 -2.405 1.00 0.00 N ATOM 1434 CA ASN A 94 10.182 -11.268 -2.523 1.00 0.00 C ATOM 1435 C ASN A 94 8.984 -10.973 -1.616 1.00 0.00 C ATOM 1436 O ASN A 94 8.769 -9.849 -1.205 1.00 0.00 O ATOM 1437 CB ASN A 94 9.813 -10.957 -3.973 1.00 0.00 C ATOM 1438 CG ASN A 94 11.077 -10.602 -4.757 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.124 -11.183 -4.542 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.027 -9.666 -5.665 1.00 0.00 N ATOM 0 H ASN A 94 10.376 -13.272 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 94 11.023 -10.645 -2.218 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.321 -11.817 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.105 -10.129 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.865 -9.423 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.150 -9.178 -5.847 1.00 0.00 H new ATOM 1447 N ILE A 95 8.201 -11.967 -1.298 1.00 0.00 N ATOM 1448 CA ILE A 95 7.022 -11.730 -0.417 1.00 0.00 C ATOM 1449 C ILE A 95 7.499 -11.488 1.016 1.00 0.00 C ATOM 1450 O ILE A 95 6.940 -10.687 1.739 1.00 0.00 O ATOM 1451 CB ILE A 95 6.100 -12.951 -0.449 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.205 -12.875 -1.690 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.229 -12.963 0.810 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.477 -14.207 -1.881 1.00 0.00 C ATOM 0 H ILE A 95 8.326 -12.930 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 95 6.475 -10.857 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 95 6.697 -13.862 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.482 -12.067 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.806 -12.648 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.571 -13.832 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.866 -13.011 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.628 -12.054 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.841 -14.151 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.207 -15.006 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.863 -14.415 -1.005 1.00 0.00 H new ATOM 1466 N ILE A 96 8.532 -12.168 1.431 1.00 0.00 N ATOM 1467 CA ILE A 96 9.044 -11.971 2.815 1.00 0.00 C ATOM 1468 C ILE A 96 9.921 -10.720 2.855 1.00 0.00 C ATOM 1469 O ILE A 96 10.238 -10.205 3.909 1.00 0.00 O ATOM 1470 CB ILE A 96 9.874 -13.186 3.234 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.943 -14.367 3.518 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.669 -12.852 4.496 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.693 -15.678 3.272 1.00 0.00 C ATOM 0 H ILE A 96 9.043 -12.851 0.872 1.00 0.00 H new ATOM 0 HA ILE A 96 8.204 -11.854 3.500 1.00 0.00 H new ATOM 0 HB ILE A 96 10.562 -13.449 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.589 -14.326 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.063 -14.313 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.260 -13.718 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.333 -12.011 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.982 -12.588 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.030 -16.520 3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.025 -15.718 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.559 -15.731 3.932 1.00 0.00 H new ATOM 1485 N ALA A 97 10.316 -10.226 1.713 1.00 0.00 N ATOM 1486 CA ALA A 97 11.172 -9.009 1.689 1.00 0.00 C ATOM 1487 C ALA A 97 10.396 -7.830 2.282 1.00 0.00 C ATOM 1488 O ALA A 97 10.887 -7.121 3.136 1.00 0.00 O ATOM 1489 CB ALA A 97 11.574 -8.695 0.251 1.00 0.00 C ATOM 0 H ALA A 97 10.083 -10.613 0.798 1.00 0.00 H new ATOM 0 HA ALA A 97 12.071 -9.183 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.201 -7.803 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.129 -9.536 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.680 -8.520 -0.347 1.00 0.00 H new ATOM 1495 N ALA A 98 9.185 -7.621 1.847 1.00 0.00 N ATOM 1496 CA ALA A 98 8.386 -6.490 2.405 1.00 0.00 C ATOM 1497 C ALA A 98 8.264 -6.670 3.907 1.00 0.00 C ATOM 1498 O ALA A 98 8.657 -5.823 4.682 1.00 0.00 O ATOM 1499 CB ALA A 98 6.978 -6.487 1.816 1.00 0.00 C ATOM 0 H ALA A 98 8.715 -8.179 1.134 1.00 0.00 H new ATOM 0 HA ALA A 98 8.887 -5.554 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.410 -5.656 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.037 -6.378 0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.480 -7.425 2.059 1.00 0.00 H new ATOM 1505 N ALA A 99 7.704 -7.768 4.324 1.00 0.00 N ATOM 1506 CA ALA A 99 7.540 -7.999 5.771 1.00 0.00 C ATOM 1507 C ALA A 99 8.910 -7.915 6.449 1.00 0.00 C ATOM 1508 O ALA A 99 9.010 -7.607 7.619 1.00 0.00 O ATOM 1509 CB ALA A 99 6.936 -9.379 6.009 1.00 0.00 C ATOM 0 H ALA A 99 7.355 -8.512 3.720 1.00 0.00 H new ATOM 0 HA ALA A 99 6.875 -7.243 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.817 -9.544 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.963 -9.439 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.596 -10.141 5.595 1.00 0.00 H new ATOM 1515 N GLN A 100 9.973 -8.172 5.724 1.00 0.00 N ATOM 1516 CA GLN A 100 11.318 -8.068 6.354 1.00 0.00 C ATOM 1517 C GLN A 100 11.380 -6.693 6.997 1.00 0.00 C ATOM 1518 O GLN A 100 11.964 -6.493 8.043 1.00 0.00 O ATOM 1519 CB GLN A 100 12.414 -8.207 5.296 1.00 0.00 C ATOM 1520 CG GLN A 100 13.726 -8.616 5.969 1.00 0.00 C ATOM 1521 CD GLN A 100 14.815 -8.782 4.908 1.00 0.00 C ATOM 1522 OE1 GLN A 100 15.416 -7.817 4.480 1.00 0.00 O ATOM 1523 NE2 GLN A 100 15.096 -9.976 4.462 1.00 0.00 N ATOM 0 H GLN A 100 9.965 -8.444 4.741 1.00 0.00 H new ATOM 0 HA GLN A 100 11.473 -8.858 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.126 -8.952 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.544 -7.264 4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.024 -7.861 6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.591 -9.549 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.591 -10.786 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.820 -10.099 3.754 1.00 0.00 H new ATOM 1532 N ALA A 101 10.711 -5.755 6.388 1.00 0.00 N ATOM 1533 CA ALA A 101 10.636 -4.389 6.956 1.00 0.00 C ATOM 1534 C ALA A 101 9.466 -4.421 7.935 1.00 0.00 C ATOM 1535 O ALA A 101 9.445 -3.742 8.943 1.00 0.00 O ATOM 1536 CB ALA A 101 10.380 -3.379 5.835 1.00 0.00 C ATOM 0 H ALA A 101 10.208 -5.883 5.510 1.00 0.00 H new ATOM 0 HA ALA A 101 11.560 -4.093 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.325 -2.375 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.193 -3.425 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.439 -3.617 5.339 1.00 0.00 H new ATOM 1542 N GLY A 102 8.523 -5.284 7.654 1.00 0.00 N ATOM 1543 CA GLY A 102 7.364 -5.486 8.552 1.00 0.00 C ATOM 1544 C GLY A 102 6.334 -4.374 8.449 1.00 0.00 C ATOM 1545 O GLY A 102 6.132 -3.640 9.396 1.00 0.00 O ATOM 0 H GLY A 102 8.515 -5.867 6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.889 -6.438 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.716 -5.554 9.581 1.00 0.00 H new ATOM 1549 N ALA A 103 5.649 -4.234 7.344 1.00 0.00 N ATOM 1550 CA ALA A 103 4.630 -3.151 7.311 1.00 0.00 C ATOM 1551 C ALA A 103 3.283 -3.676 7.789 1.00 0.00 C ATOM 1552 O ALA A 103 3.099 -4.072 8.923 1.00 0.00 O ATOM 1553 CB ALA A 103 4.440 -2.746 5.861 1.00 0.00 C ATOM 0 H ALA A 103 5.745 -4.797 6.499 1.00 0.00 H new ATOM 0 HA ALA A 103 4.962 -2.328 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.697 -1.951 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.387 -2.390 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.099 -3.606 5.285 1.00 0.00 H new ATOM 1559 N SER A 104 2.371 -3.737 6.871 1.00 0.00 N ATOM 1560 CA SER A 104 1.022 -4.300 7.138 1.00 0.00 C ATOM 1561 C SER A 104 1.069 -5.777 6.804 1.00 0.00 C ATOM 1562 O SER A 104 0.670 -6.642 7.557 1.00 0.00 O ATOM 1563 CB SER A 104 -0.013 -3.611 6.252 1.00 0.00 C ATOM 1564 OG SER A 104 -0.004 -2.216 6.516 1.00 0.00 O ATOM 0 H SER A 104 2.507 -3.410 5.914 1.00 0.00 H new ATOM 0 HA SER A 104 0.744 -4.146 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.211 -3.795 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.004 -4.022 6.444 1.00 0.00 H new ATOM 0 HG SER A 104 -0.846 -1.819 6.209 1.00 0.00 H new ATOM 1570 N GLY A 105 1.549 -6.026 5.617 1.00 0.00 N ATOM 1571 CA GLY A 105 1.649 -7.402 5.077 1.00 0.00 C ATOM 1572 C GLY A 105 1.881 -7.295 3.571 1.00 0.00 C ATOM 1573 O GLY A 105 2.337 -6.277 3.083 1.00 0.00 O ATOM 0 H GLY A 105 1.886 -5.303 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.468 -7.941 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.737 -7.961 5.285 1.00 0.00 H new ATOM 1577 N TYR A 106 1.564 -8.319 2.827 1.00 0.00 N ATOM 1578 CA TYR A 106 1.759 -8.258 1.349 1.00 0.00 C ATOM 1579 C TYR A 106 0.544 -8.857 0.658 1.00 0.00 C ATOM 1580 O TYR A 106 -0.129 -9.716 1.195 1.00 0.00 O ATOM 1581 CB TYR A 106 2.999 -9.056 0.947 1.00 0.00 C ATOM 1582 CG TYR A 106 2.626 -10.040 -0.141 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.617 -9.639 -1.484 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.291 -11.358 0.194 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.275 -10.556 -2.485 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.950 -12.272 -0.808 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.942 -11.872 -2.146 1.00 0.00 C ATOM 1588 OH TYR A 106 1.607 -12.775 -3.135 1.00 0.00 O ATOM 0 H TYR A 106 1.178 -9.196 3.178 1.00 0.00 H new ATOM 0 HA TYR A 106 1.888 -7.217 1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.780 -8.383 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.401 -9.586 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.874 -8.623 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.296 -11.669 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.268 -10.247 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.693 -13.288 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 106 1.404 -13.644 -2.730 1.00 0.00 H new ATOM 1598 N VAL A 107 0.260 -8.416 -0.531 1.00 0.00 N ATOM 1599 CA VAL A 107 -0.914 -8.972 -1.259 1.00 0.00 C ATOM 1600 C VAL A 107 -0.617 -8.983 -2.755 1.00 0.00 C ATOM 1601 O VAL A 107 -0.292 -7.970 -3.342 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.149 -8.113 -0.983 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.893 -6.681 -1.454 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.353 -8.689 -1.732 1.00 0.00 C ATOM 0 H VAL A 107 0.785 -7.698 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.107 -9.989 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.355 -8.111 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.774 -6.070 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.038 -6.269 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.684 -6.682 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.232 -8.076 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.147 -8.694 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.538 -9.708 -1.394 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.730 -10.119 -3.380 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.456 -10.182 -4.838 1.00 0.00 C ATOM 1616 C VAL A 108 -1.453 -9.280 -5.567 1.00 0.00 C ATOM 1617 O VAL A 108 -2.475 -8.914 -5.022 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.614 -11.621 -5.330 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.101 -11.959 -5.445 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.046 -11.767 -6.703 1.00 0.00 C ATOM 0 H VAL A 108 -0.999 -11.002 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 108 0.562 -9.847 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.138 -12.300 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.215 -12.985 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.574 -11.855 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.575 -11.279 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.067 -12.793 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.430 -11.088 -7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.106 -11.525 -6.625 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.169 -8.920 -6.792 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.103 -8.039 -7.559 1.00 0.00 C ATOM 1632 C LYS A 109 -2.252 -8.599 -8.986 1.00 0.00 C ATOM 1633 O LYS A 109 -1.386 -9.319 -9.440 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.517 -6.611 -7.588 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.049 -6.219 -9.003 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.396 -4.832 -8.964 1.00 0.00 C ATOM 1637 CE LYS A 109 0.721 -4.763 -10.008 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.100 -3.340 -10.233 1.00 0.00 N ATOM 0 H LYS A 109 -0.328 -9.199 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.087 -8.009 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.269 -5.901 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.677 -6.547 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.339 -6.956 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.896 -6.214 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.141 -4.062 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.008 -4.636 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.587 -5.332 -9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.389 -5.215 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.993 -3.298 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.351 -2.863 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.221 -2.864 -9.316 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.314 -8.234 -9.679 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.396 -7.358 -9.165 1.00 0.00 C ATOM 1654 C PRO A 110 -5.301 -8.135 -8.197 1.00 0.00 C ATOM 1655 O PRO A 110 -5.726 -9.237 -8.483 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.214 -6.986 -10.411 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.576 -7.707 -11.624 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.484 -8.641 -11.082 1.00 0.00 C ATOM 0 HA PRO A 110 -3.999 -6.494 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.254 -7.288 -10.290 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.211 -5.907 -10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.328 -8.274 -12.172 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.151 -6.984 -12.320 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.782 -9.687 -11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.555 -8.533 -11.642 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.604 -7.568 -7.060 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.489 -8.280 -6.091 1.00 0.00 C ATOM 1668 C PHE A 111 -7.930 -7.853 -6.315 1.00 0.00 C ATOM 1669 O PHE A 111 -8.206 -6.790 -6.834 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.110 -7.918 -4.651 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.660 -6.483 -4.602 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.594 -5.450 -4.738 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.307 -6.189 -4.460 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.160 -4.121 -4.735 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -3.872 -4.863 -4.446 1.00 0.00 C ATOM 1676 CZ PHE A 111 -4.798 -3.826 -4.590 1.00 0.00 C ATOM 0 H PHE A 111 -5.280 -6.648 -6.761 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.372 -9.353 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.964 -8.066 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.314 -8.573 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.644 -5.678 -4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.590 -6.991 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.876 -3.320 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -2.823 -4.639 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.464 -2.799 -4.589 1.00 0.00 H new ATOM 1686 N THR A 112 -8.849 -8.657 -5.885 1.00 0.00 N ATOM 1687 CA THR A 112 -10.276 -8.284 -6.022 1.00 0.00 C ATOM 1688 C THR A 112 -10.658 -7.522 -4.759 1.00 0.00 C ATOM 1689 O THR A 112 -10.126 -7.781 -3.698 1.00 0.00 O ATOM 1690 CB THR A 112 -11.134 -9.546 -6.153 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.324 -10.622 -6.606 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.264 -9.297 -7.153 1.00 0.00 C ATOM 0 H THR A 112 -8.675 -9.560 -5.443 1.00 0.00 H new ATOM 0 HA THR A 112 -10.438 -7.673 -6.910 1.00 0.00 H new ATOM 0 HB THR A 112 -11.562 -9.797 -5.183 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.871 -11.431 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.873 -10.196 -7.245 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.885 -8.472 -6.803 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.841 -9.045 -8.125 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.545 -6.576 -4.849 1.00 0.00 N ATOM 1701 CA ALA A 113 -11.911 -5.810 -3.628 1.00 0.00 C ATOM 1702 C ALA A 113 -12.179 -6.787 -2.489 1.00 0.00 C ATOM 1703 O ALA A 113 -11.831 -6.538 -1.354 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.156 -4.964 -3.895 1.00 0.00 C ATOM 0 H ALA A 113 -12.028 -6.301 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.091 -5.146 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.417 -4.406 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.955 -4.267 -4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.986 -5.615 -4.172 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.769 -7.908 -2.781 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.018 -8.895 -1.703 1.00 0.00 C ATOM 1712 C ALA A 114 -11.673 -9.435 -1.230 1.00 0.00 C ATOM 1713 O ALA A 114 -11.487 -9.736 -0.068 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.884 -10.039 -2.233 1.00 0.00 C ATOM 0 H ALA A 114 -13.087 -8.181 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.544 -8.421 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.062 -10.760 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.837 -9.642 -2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.371 -10.531 -3.059 1.00 0.00 H new ATOM 1720 N THR A 115 -10.725 -9.542 -2.120 1.00 0.00 N ATOM 1721 CA THR A 115 -9.389 -10.040 -1.709 1.00 0.00 C ATOM 1722 C THR A 115 -8.702 -8.955 -0.878 1.00 0.00 C ATOM 1723 O THR A 115 -8.478 -9.140 0.305 1.00 0.00 O ATOM 1724 CB THR A 115 -8.554 -10.384 -2.941 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.047 -11.583 -3.521 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.093 -10.579 -2.531 1.00 0.00 C ATOM 0 H THR A 115 -10.820 -9.307 -3.108 1.00 0.00 H new ATOM 0 HA THR A 115 -9.494 -10.946 -1.112 1.00 0.00 H new ATOM 0 HB THR A 115 -8.621 -9.572 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.515 -11.806 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.498 -10.824 -3.411 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.715 -9.660 -2.082 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.023 -11.391 -1.808 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.370 -7.814 -1.454 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.723 -6.764 -0.621 1.00 0.00 C ATOM 1736 C LEU A 116 -8.545 -6.581 0.664 1.00 0.00 C ATOM 1737 O LEU A 116 -8.002 -6.393 1.734 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.685 -5.425 -1.381 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.270 -4.808 -1.392 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.374 -3.337 -1.792 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.618 -4.873 -0.008 1.00 0.00 C ATOM 0 H LEU A 116 -8.517 -7.578 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.703 -7.069 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.021 -5.580 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.382 -4.726 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.662 -5.374 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.379 -2.892 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.817 -3.260 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.001 -2.808 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.623 -4.430 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.228 -4.322 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.538 -5.913 0.308 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.856 -6.637 0.571 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.688 -6.465 1.792 1.00 0.00 C ATOM 1755 C GLU A 117 -10.384 -7.588 2.782 1.00 0.00 C ATOM 1756 O GLU A 117 -10.161 -7.355 3.954 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.172 -6.503 1.418 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.025 -6.359 2.682 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.753 -7.675 2.961 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.657 -8.000 2.207 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.395 -8.336 3.921 1.00 0.00 O ATOM 0 H GLU A 117 -10.375 -6.793 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.456 -5.503 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.402 -5.699 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.406 -7.441 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.394 -6.093 3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.747 -5.552 2.556 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.378 -8.806 2.317 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.093 -9.953 3.224 1.00 0.00 C ATOM 1770 C GLU A 118 -8.880 -9.627 4.098 1.00 0.00 C ATOM 1771 O GLU A 118 -8.869 -9.890 5.284 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.797 -11.202 2.392 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.914 -12.445 3.275 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.387 -12.835 3.413 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.229 -12.033 3.046 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.647 -13.931 3.884 1.00 0.00 O ATOM 0 H GLU A 118 -10.559 -9.057 1.345 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.960 -10.135 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.495 -11.269 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.796 -11.139 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.348 -13.268 2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.485 -12.248 4.258 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.858 -9.059 3.521 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.648 -8.719 4.322 1.00 0.00 C ATOM 1785 C LYS A 119 -6.898 -7.435 5.118 1.00 0.00 C ATOM 1786 O LYS A 119 -6.419 -7.274 6.222 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.458 -8.514 3.380 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.698 -9.832 3.218 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.662 -9.690 2.101 1.00 0.00 C ATOM 1790 CE LYS A 119 -2.891 -11.002 1.948 1.00 0.00 C ATOM 1791 NZ LYS A 119 -1.945 -11.157 3.090 1.00 0.00 N ATOM 0 H LYS A 119 -7.808 -8.816 2.532 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.431 -9.533 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.806 -8.162 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.794 -7.746 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.206 -10.097 4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.393 -10.638 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.156 -9.435 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.974 -8.876 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.584 -11.843 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.344 -11.007 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.969 -11.047 2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.145 -10.432 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.060 -12.101 3.511 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.644 -6.518 4.564 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.924 -5.240 5.283 1.00 0.00 C ATOM 1807 C LEU A 120 -8.716 -5.526 6.560 1.00 0.00 C ATOM 1808 O LEU A 120 -8.540 -4.873 7.569 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.746 -4.322 4.368 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.317 -2.853 4.526 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.439 -2.428 5.989 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -6.867 -2.671 4.068 1.00 0.00 C ATOM 0 H LEU A 120 -8.073 -6.598 3.642 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.983 -4.757 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.620 -4.631 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.805 -4.422 4.604 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.969 -2.234 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.133 -1.387 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.474 -2.536 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.797 -3.057 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.577 -1.627 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.213 -3.300 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.778 -2.957 3.020 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.592 -6.490 6.525 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.397 -6.805 7.738 1.00 0.00 C ATOM 1826 C ASN A 121 -9.538 -7.564 8.752 1.00 0.00 C ATOM 1827 O ASN A 121 -9.677 -7.394 9.947 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.601 -7.663 7.344 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.881 -7.030 7.892 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.978 -6.755 9.072 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.874 -6.787 7.081 1.00 0.00 N ATOM 0 H ASN A 121 -9.786 -7.073 5.711 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.743 -5.875 8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.661 -7.748 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.485 -8.673 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.732 -6.366 7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.792 -7.018 6.091 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.653 -8.401 8.289 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.791 -9.167 9.234 1.00 0.00 C ATOM 1840 C LYS A 122 -6.698 -8.247 9.782 1.00 0.00 C ATOM 1841 O LYS A 122 -6.247 -8.400 10.901 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.146 -10.347 8.501 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.083 -11.563 9.431 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.228 -11.232 10.658 1.00 0.00 C ATOM 1845 CE LYS A 122 -5.787 -12.529 11.341 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.387 -12.847 10.946 1.00 0.00 N ATOM 0 H LYS A 122 -8.489 -8.588 7.300 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.399 -9.543 10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.721 -10.590 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.143 -10.078 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.088 -11.847 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.660 -12.417 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.355 -10.651 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.797 -10.617 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.856 -12.424 12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.451 -13.346 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.282 -13.876 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.166 -12.380 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.733 -12.508 11.680 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.271 -7.293 9.005 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.209 -6.361 9.478 1.00 0.00 C ATOM 1862 C ILE A 123 -5.826 -5.331 10.424 1.00 0.00 C ATOM 1863 O ILE A 123 -5.202 -4.891 11.369 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.594 -5.650 8.267 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.838 -6.674 7.417 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.620 -4.553 8.721 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.658 -6.134 5.996 1.00 0.00 C ATOM 0 H ILE A 123 -6.612 -7.117 8.060 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.434 -6.916 10.007 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.393 -5.190 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.866 -6.883 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.386 -7.616 7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.194 -4.060 7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.154 -3.820 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.820 -4.999 9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.119 -6.866 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.635 -5.947 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.091 -5.204 6.029 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.037 -4.929 10.170 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.673 -3.914 11.048 1.00 0.00 C ATOM 1881 C PHE A 124 -8.346 -4.596 12.235 1.00 0.00 C ATOM 1882 O PHE A 124 -8.905 -3.947 13.096 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.689 -3.113 10.237 1.00 0.00 C ATOM 1884 CG PHE A 124 -7.993 -2.005 9.474 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.635 -2.091 9.098 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.730 -0.878 9.138 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.042 -1.038 8.395 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.134 0.172 8.435 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.798 0.091 8.068 1.00 0.00 C ATOM 0 H PHE A 124 -7.612 -5.258 9.395 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.913 -3.235 11.434 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.210 -3.771 9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.443 -2.689 10.901 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.056 -2.967 9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.770 -0.812 9.422 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.003 -1.097 8.106 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.713 1.047 8.177 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.340 0.905 7.526 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.266 -5.894 12.316 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.870 -6.590 13.482 1.00 0.00 C ATOM 1901 C GLU A 125 -7.918 -6.409 14.659 1.00 0.00 C ATOM 1902 O GLU A 125 -8.313 -6.403 15.807 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.044 -8.079 13.174 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.398 -8.827 14.460 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.127 -9.407 15.082 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -7.428 -10.129 14.389 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -7.872 -9.120 16.240 1.00 0.00 O ATOM 0 H GLU A 125 -7.812 -6.498 11.631 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.852 -6.177 13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.830 -8.218 12.431 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.126 -8.483 12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.884 -8.151 15.164 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.107 -9.626 14.244 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.659 -6.232 14.365 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.655 -6.015 15.437 1.00 0.00 C ATOM 1916 C LYS A 126 -5.438 -4.510 15.583 1.00 0.00 C ATOM 1917 O LYS A 126 -5.004 -4.025 16.609 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.337 -6.688 15.049 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.547 -8.198 14.928 1.00 0.00 C ATOM 1920 CD LYS A 126 -3.238 -8.861 14.493 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.179 -8.921 12.966 1.00 0.00 C ATOM 1922 NZ LYS A 126 -3.947 -10.104 12.486 1.00 0.00 N ATOM 0 H LYS A 126 -6.282 -6.229 13.417 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.005 -6.441 16.377 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.976 -6.284 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.574 -6.476 15.798 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.875 -8.608 15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.333 -8.410 14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.388 -8.299 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.171 -9.866 14.910 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.593 -8.008 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.143 -8.987 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.619 -10.368 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.799 -10.901 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -4.960 -9.869 12.451 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.748 -3.769 14.551 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.578 -2.292 14.607 1.00 0.00 C ATOM 1938 C LEU A 127 -6.865 -1.664 15.148 1.00 0.00 C ATOM 1939 O LEU A 127 -6.851 -0.584 15.705 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.291 -1.755 13.198 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.167 -0.718 13.258 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -3.864 -0.210 11.847 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -4.595 0.459 14.139 1.00 0.00 C ATOM 0 H LEU A 127 -6.113 -4.128 13.669 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.744 -2.039 15.261 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.008 -2.574 12.537 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.191 -1.305 12.780 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.275 -1.181 13.680 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.063 0.529 11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.554 -1.045 11.218 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.758 0.249 11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.792 1.195 14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.489 0.921 13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.809 0.101 15.146 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.977 -2.336 14.990 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.265 -1.782 15.498 1.00 0.00 C ATOM 1957 C GLY A 128 -9.378 -0.305 15.114 1.00 0.00 C ATOM 1958 O GLY A 128 -9.026 0.573 15.875 1.00 0.00 O ATOM 0 H GLY A 128 -8.047 -3.244 14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.102 -2.341 15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.317 -1.891 16.581 1.00 0.00 H new ATOM 1962 N MET A 129 -9.866 -0.024 13.936 1.00 0.00 N ATOM 1963 CA MET A 129 -10.001 1.395 13.506 1.00 0.00 C ATOM 1964 C MET A 129 -11.400 1.904 13.857 1.00 0.00 C ATOM 1965 O MET A 129 -11.749 2.980 13.401 1.00 0.00 O ATOM 1966 CB MET A 129 -9.789 1.490 11.993 1.00 0.00 C ATOM 1967 CG MET A 129 -8.315 1.779 11.701 1.00 0.00 C ATOM 1968 SD MET A 129 -7.982 3.539 11.960 1.00 0.00 S ATOM 1969 CE MET A 129 -6.372 3.350 12.763 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.098 1.209 14.578 1.00 0.00 O ATOM 0 H MET A 129 -10.177 -0.716 13.254 1.00 0.00 H new ATOM 0 HA MET A 129 -9.255 2.003 14.018 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.090 0.558 11.514 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.415 2.279 11.576 1.00 0.00 H new ATOM 0 HG2 MET A 129 -7.680 1.178 12.352 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.075 1.500 10.675 1.00 0.00 H new ATOM 0 HE1 MET A 129 -5.856 4.310 12.775 1.00 0.00 H new ATOM 0 HE2 MET A 129 -6.514 3.002 13.786 1.00 0.00 H new ATOM 0 HE3 MET A 129 -5.774 2.624 12.213 1.00 0.00 H new