USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 856 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 41 GLN : amide:sc= 0.815 K(o=1.7,f=-1.2) USER MOD Set 1.2: A 67 THR OG1 : rot -125:sc= 0.839 USER MOD Set 2.1: A 11 CYS SG : rot 150:sc= -2.92! USER MOD Set 2.2: A 18 THR OG1 : rot 13:sc= 0.948 USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.265 X(o=-0.24,f=-0.6) USER MOD Set 3.2: A 86 SER OG : rot -85:sc= 0.0249 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0102 (180deg=-0.19) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.0295 (180deg=-0.163) USER MOD Single : A 9 THR OG1 : rot 33:sc= -0.0789 USER MOD Single : A 13 THR OG1 : rot -41:sc= 0.411 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -171:sc= -0.0402 (180deg=-0.223) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0154 F(o=-1.4!,f=-0.015) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -0.0828 (180deg=-0.571) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.064 (180deg=-0.303) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.03) USER MOD Single : A 32 MET CE :methyl 159:sc= -0.166 (180deg=-0.726) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.392 F(o=-2.2!,f=-0.39) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0312) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.0557 X(o=0.056,f=0) USER MOD Single : A 51 THR OG1 : rot -60:sc= 1.09 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc=-0.00614 (180deg=-0.0907) USER MOD Single : A 56 ASN : amide:sc= 2.29 K(o=2.3,f=-0.32) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.323 K(o=0.32,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.898 (180deg=0.757) USER MOD Single : A 90 LYS NZ :NH3+ 133:sc= -0.0943 (180deg=-0.614) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 1.15 K(o=1.1,f=-0.11) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.199 0.161 -7.927 1.00 0.00 N ATOM 2 CA MET A 1 -16.535 0.998 -6.904 1.00 0.00 C ATOM 3 C MET A 1 -15.285 1.651 -7.478 1.00 0.00 C ATOM 4 O MET A 1 -15.259 2.858 -7.723 1.00 0.00 O ATOM 5 CB MET A 1 -16.150 0.153 -5.684 1.00 0.00 C ATOM 6 CG MET A 1 -15.513 0.961 -4.565 1.00 0.00 C ATOM 7 SD MET A 1 -14.725 -0.073 -3.315 1.00 0.00 S ATOM 8 CE MET A 1 -16.116 -1.050 -2.739 1.00 0.00 C ATOM 0 H1 MET A 1 -18.049 -0.277 -7.519 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.470 0.753 -8.738 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.545 -0.583 -8.245 1.00 0.00 H new ATOM 0 HA MET A 1 -17.237 1.773 -6.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.041 -0.345 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.458 -0.629 -5.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.772 1.638 -4.989 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.275 1.579 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.826 -1.606 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.950 -0.390 -2.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.419 -1.748 -3.520 1.00 0.00 H new ATOM 20 N LYS A 2 -14.264 0.828 -7.707 1.00 0.00 N ATOM 21 CA LYS A 2 -12.956 1.288 -8.164 1.00 0.00 C ATOM 22 C LYS A 2 -12.421 2.401 -7.269 1.00 0.00 C ATOM 23 O LYS A 2 -12.493 3.586 -7.603 1.00 0.00 O ATOM 24 CB LYS A 2 -13.001 1.731 -9.630 1.00 0.00 C ATOM 25 CG LYS A 2 -13.330 0.594 -10.587 1.00 0.00 C ATOM 26 CD LYS A 2 -13.255 1.028 -12.041 1.00 0.00 C ATOM 27 CE LYS A 2 -11.844 1.424 -12.441 1.00 0.00 C ATOM 28 NZ LYS A 2 -11.767 1.839 -13.865 1.00 0.00 N ATOM 0 H LYS A 2 -14.322 -0.182 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.268 0.445 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.745 2.520 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.037 2.161 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.638 -0.231 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.331 0.219 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.599 0.215 -12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.928 1.869 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.503 2.241 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.169 0.585 -12.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.788 2.101 -14.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.068 1.051 -14.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.391 2.656 -14.023 1.00 0.00 H new ATOM 42 N ARG A 3 -11.906 2.009 -6.112 1.00 0.00 N ATOM 43 CA ARG A 3 -11.374 2.962 -5.154 1.00 0.00 C ATOM 44 C ARG A 3 -9.903 3.226 -5.456 1.00 0.00 C ATOM 45 O ARG A 3 -9.302 2.531 -6.269 1.00 0.00 O ATOM 46 CB ARG A 3 -11.536 2.432 -3.726 1.00 0.00 C ATOM 47 CG ARG A 3 -11.711 3.529 -2.686 1.00 0.00 C ATOM 48 CD ARG A 3 -12.978 4.326 -2.949 1.00 0.00 C ATOM 49 NE ARG A 3 -13.174 5.409 -1.987 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.182 6.281 -2.052 1.00 0.00 C ATOM 51 NH1 ARG A 3 -15.033 6.243 -3.068 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.317 7.209 -1.117 1.00 0.00 N ATOM 0 H ARG A 3 -11.846 1.035 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.929 3.896 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.399 1.767 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.662 1.834 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.754 3.088 -1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.848 4.194 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.938 4.743 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.837 3.656 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.503 5.503 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.918 5.546 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.802 6.911 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.650 7.258 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.088 7.875 -1.167 1.00 0.00 H new ATOM 66 N LYS A 4 -9.334 4.229 -4.809 1.00 0.00 N ATOM 67 CA LYS A 4 -7.943 4.594 -5.040 1.00 0.00 C ATOM 68 C LYS A 4 -7.116 4.266 -3.807 1.00 0.00 C ATOM 69 O LYS A 4 -7.456 4.691 -2.703 1.00 0.00 O ATOM 70 CB LYS A 4 -7.839 6.086 -5.343 1.00 0.00 C ATOM 71 CG LYS A 4 -8.982 6.621 -6.186 1.00 0.00 C ATOM 72 CD LYS A 4 -8.979 6.050 -7.592 1.00 0.00 C ATOM 73 CE LYS A 4 -10.211 6.500 -8.360 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.289 7.982 -8.486 1.00 0.00 N ATOM 0 H LYS A 4 -9.813 4.807 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.564 4.029 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.805 6.637 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.898 6.278 -5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.929 6.383 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.914 7.708 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.080 6.371 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.950 4.961 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.200 6.053 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.105 6.133 -7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.056 8.235 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.479 8.400 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.386 8.347 -8.851 1.00 0.00 H new ATOM 88 N ILE A 5 -6.050 3.503 -3.980 1.00 0.00 N ATOM 89 CA ILE A 5 -5.216 3.107 -2.852 1.00 0.00 C ATOM 90 C ILE A 5 -3.734 3.214 -3.194 1.00 0.00 C ATOM 91 O ILE A 5 -3.298 2.745 -4.242 1.00 0.00 O ATOM 92 CB ILE A 5 -5.522 1.654 -2.411 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.006 1.499 -2.061 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.650 1.260 -1.224 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.406 0.083 -1.705 1.00 0.00 C ATOM 0 H ILE A 5 -5.741 3.146 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.448 3.790 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.293 0.988 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.242 2.155 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.606 1.834 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.879 0.236 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.599 1.330 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.847 1.932 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.470 0.054 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.203 -0.576 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.834 -0.250 -0.839 1.00 0.00 H new ATOM 107 N ILE A 6 -2.965 3.839 -2.315 1.00 0.00 N ATOM 108 CA ILE A 6 -1.518 3.838 -2.447 1.00 0.00 C ATOM 109 C ILE A 6 -0.915 2.998 -1.330 1.00 0.00 C ATOM 110 O ILE A 6 -1.275 3.154 -0.163 1.00 0.00 O ATOM 111 CB ILE A 6 -0.886 5.260 -2.447 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.238 6.067 -1.181 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.303 6.023 -3.695 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.639 6.648 -1.175 1.00 0.00 C ATOM 0 H ILE A 6 -3.318 4.351 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.289 3.409 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 6 0.196 5.128 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.122 5.422 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.520 6.880 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.854 7.016 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.966 5.484 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.389 6.116 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.800 7.199 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.757 7.322 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.368 5.841 -1.249 1.00 0.00 H new ATOM 126 N ALA A 7 -0.031 2.086 -1.683 1.00 0.00 N ATOM 127 CA ALA A 7 0.518 1.158 -0.712 1.00 0.00 C ATOM 128 C ALA A 7 1.989 0.896 -0.976 1.00 0.00 C ATOM 129 O ALA A 7 2.374 0.535 -2.084 1.00 0.00 O ATOM 130 CB ALA A 7 -0.266 -0.146 -0.736 1.00 0.00 C ATOM 0 H ALA A 7 0.322 1.967 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 7 0.431 1.607 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.153 -0.836 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.310 0.052 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.204 -0.589 -1.730 1.00 0.00 H new ATOM 136 N VAL A 8 2.810 1.087 0.040 1.00 0.00 N ATOM 137 CA VAL A 8 4.233 0.817 -0.078 1.00 0.00 C ATOM 138 C VAL A 8 4.544 -0.576 0.447 1.00 0.00 C ATOM 139 O VAL A 8 4.305 -0.877 1.618 1.00 0.00 O ATOM 140 CB VAL A 8 5.082 1.852 0.687 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.564 1.616 0.435 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.686 3.269 0.299 1.00 0.00 C ATOM 0 H VAL A 8 2.517 1.428 0.956 1.00 0.00 H new ATOM 0 HA VAL A 8 4.490 0.884 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 8 4.892 1.730 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.148 2.355 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.836 0.616 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.771 1.707 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.298 3.982 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.841 3.410 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.635 3.431 0.538 1.00 0.00 H new ATOM 152 N THR A 9 5.051 -1.428 -0.428 1.00 0.00 N ATOM 153 CA THR A 9 5.432 -2.777 -0.053 1.00 0.00 C ATOM 154 C THR A 9 6.930 -2.969 -0.257 1.00 0.00 C ATOM 155 O THR A 9 7.420 -2.924 -1.387 1.00 0.00 O ATOM 156 CB THR A 9 4.653 -3.815 -0.880 1.00 0.00 C ATOM 157 OG1 THR A 9 4.706 -3.462 -2.268 1.00 0.00 O ATOM 158 CG2 THR A 9 3.204 -3.894 -0.423 1.00 0.00 C ATOM 0 H THR A 9 5.209 -1.206 -1.411 1.00 0.00 H new ATOM 0 HA THR A 9 5.190 -2.923 1.000 1.00 0.00 H new ATOM 0 HB THR A 9 5.113 -4.792 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.567 -3.037 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.673 -4.634 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.169 -4.184 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.730 -2.920 -0.546 1.00 0.00 H new ATOM 166 N ALA A 10 7.658 -3.161 0.836 1.00 0.00 N ATOM 167 CA ALA A 10 9.106 -3.276 0.770 1.00 0.00 C ATOM 168 C ALA A 10 9.657 -3.959 2.009 1.00 0.00 C ATOM 169 O ALA A 10 8.994 -4.020 3.043 1.00 0.00 O ATOM 170 CB ALA A 10 9.732 -1.900 0.610 1.00 0.00 C ATOM 0 H ALA A 10 7.269 -3.240 1.776 1.00 0.00 H new ATOM 0 HA ALA A 10 9.359 -3.888 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.817 -1.997 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.368 -1.439 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.461 -1.276 1.462 1.00 0.00 H new ATOM 176 N CYS A 11 10.867 -4.471 1.906 1.00 0.00 N ATOM 177 CA CYS A 11 11.518 -5.114 3.030 1.00 0.00 C ATOM 178 C CYS A 11 13.026 -5.118 2.835 1.00 0.00 C ATOM 179 O CYS A 11 13.510 -5.280 1.715 1.00 0.00 O ATOM 180 CB CYS A 11 10.994 -6.542 3.208 1.00 0.00 C ATOM 181 SG CYS A 11 11.189 -7.587 1.753 1.00 0.00 S ATOM 0 H CYS A 11 11.422 -4.454 1.050 1.00 0.00 H new ATOM 0 HA CYS A 11 11.288 -4.550 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.513 -7.006 4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 11 9.937 -6.499 3.472 1.00 0.00 H new ATOM 0 HG CYS A 11 11.334 -8.824 2.124 1.00 0.00 H new ATOM 187 N ALA A 12 13.758 -4.920 3.921 1.00 0.00 N ATOM 188 CA ALA A 12 15.211 -4.910 3.867 1.00 0.00 C ATOM 189 C ALA A 12 15.745 -6.311 4.105 1.00 0.00 C ATOM 190 O ALA A 12 16.784 -6.697 3.572 1.00 0.00 O ATOM 191 CB ALA A 12 15.780 -3.935 4.888 1.00 0.00 C ATOM 0 H ALA A 12 13.369 -4.764 4.851 1.00 0.00 H new ATOM 0 HA ALA A 12 15.524 -4.579 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.868 -3.943 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.413 -2.931 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.467 -4.232 5.889 1.00 0.00 H new ATOM 197 N THR A 13 15.027 -7.064 4.920 1.00 0.00 N ATOM 198 CA THR A 13 15.351 -8.456 5.163 1.00 0.00 C ATOM 199 C THR A 13 14.274 -9.357 4.566 1.00 0.00 C ATOM 200 O THR A 13 13.080 -9.097 4.726 1.00 0.00 O ATOM 201 CB THR A 13 15.517 -8.743 6.670 1.00 0.00 C ATOM 202 OG1 THR A 13 14.415 -8.199 7.411 1.00 0.00 O ATOM 203 CG2 THR A 13 16.821 -8.155 7.194 1.00 0.00 C ATOM 0 H THR A 13 14.208 -6.729 5.428 1.00 0.00 H new ATOM 0 HA THR A 13 16.304 -8.669 4.679 1.00 0.00 H new ATOM 0 HB THR A 13 15.539 -9.825 6.802 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.185 -7.315 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.915 -8.370 8.258 1.00 0.00 H new ATOM 0 HG22 THR A 13 17.661 -8.598 6.658 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.821 -7.076 7.041 1.00 0.00 H new ATOM 211 N GLY A 14 14.702 -10.399 3.860 1.00 0.00 N ATOM 212 CA GLY A 14 13.766 -11.270 3.177 1.00 0.00 C ATOM 213 C GLY A 14 13.164 -10.583 1.970 1.00 0.00 C ATOM 214 O GLY A 14 11.943 -10.461 1.860 1.00 0.00 O ATOM 0 H GLY A 14 15.683 -10.655 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.275 -12.182 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.973 -11.567 3.864 1.00 0.00 H new ATOM 218 N VAL A 15 14.033 -10.170 1.049 1.00 0.00 N ATOM 219 CA VAL A 15 13.668 -9.292 -0.062 1.00 0.00 C ATOM 220 C VAL A 15 12.592 -9.877 -0.979 1.00 0.00 C ATOM 221 O VAL A 15 11.970 -9.149 -1.753 1.00 0.00 O ATOM 222 CB VAL A 15 14.908 -8.930 -0.901 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.920 -8.173 -0.054 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.540 -10.177 -1.507 1.00 0.00 C ATOM 0 H VAL A 15 15.017 -10.437 1.053 1.00 0.00 H new ATOM 0 HA VAL A 15 13.248 -8.398 0.398 1.00 0.00 H new ATOM 0 HB VAL A 15 14.588 -8.284 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.790 -7.925 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.466 -7.256 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.230 -8.795 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.413 -9.894 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.844 -10.855 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.816 -10.676 -2.151 1.00 0.00 H new ATOM 234 N ALA A 16 12.368 -11.185 -0.898 1.00 0.00 N ATOM 235 CA ALA A 16 11.315 -11.828 -1.678 1.00 0.00 C ATOM 236 C ALA A 16 9.947 -11.252 -1.325 1.00 0.00 C ATOM 237 O ALA A 16 9.030 -11.251 -2.146 1.00 0.00 O ATOM 238 CB ALA A 16 11.323 -13.331 -1.452 1.00 0.00 C ATOM 0 H ALA A 16 12.900 -11.819 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 16 11.511 -11.631 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.531 -13.792 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.287 -13.740 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.157 -13.541 -0.395 1.00 0.00 H new ATOM 244 N HIS A 17 9.828 -10.744 -0.103 1.00 0.00 N ATOM 245 CA HIS A 17 8.577 -10.171 0.371 1.00 0.00 C ATOM 246 C HIS A 17 8.205 -8.930 -0.430 1.00 0.00 C ATOM 247 O HIS A 17 7.033 -8.708 -0.711 1.00 0.00 O ATOM 248 CB HIS A 17 8.660 -9.816 1.859 1.00 0.00 C ATOM 249 CG HIS A 17 8.752 -11.001 2.767 1.00 0.00 C ATOM 250 ND1 HIS A 17 9.799 -11.204 3.639 1.00 0.00 N ATOM 251 CD2 HIS A 17 7.904 -12.039 2.956 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.593 -12.314 4.320 1.00 0.00 C ATOM 253 NE2 HIS A 17 8.450 -12.838 3.927 1.00 0.00 N ATOM 0 H HIS A 17 10.587 -10.718 0.578 1.00 0.00 H new ATOM 0 HA HIS A 17 7.803 -10.926 0.233 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.530 -9.179 2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.782 -9.231 2.131 1.00 0.00 H new ATOM 0 HD1 HIS A 17 10.608 -10.591 3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.971 -12.207 2.438 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.250 -12.724 5.073 1.00 0.00 H new ATOM 262 N THR A 18 9.208 -8.140 -0.812 1.00 0.00 N ATOM 263 CA THR A 18 8.977 -6.898 -1.546 1.00 0.00 C ATOM 264 C THR A 18 8.220 -7.157 -2.850 1.00 0.00 C ATOM 265 O THR A 18 7.346 -6.384 -3.242 1.00 0.00 O ATOM 266 CB THR A 18 10.312 -6.190 -1.877 1.00 0.00 C ATOM 267 OG1 THR A 18 11.104 -6.039 -0.692 1.00 0.00 O ATOM 268 CG2 THR A 18 10.070 -4.821 -2.496 1.00 0.00 C ATOM 0 H THR A 18 10.191 -8.340 -0.624 1.00 0.00 H new ATOM 0 HA THR A 18 8.376 -6.256 -0.902 1.00 0.00 H new ATOM 0 HB THR A 18 10.845 -6.811 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.728 -6.591 0.025 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.027 -4.348 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.499 -4.934 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.511 -4.199 -1.797 1.00 0.00 H new ATOM 276 N TYR A 19 8.541 -8.261 -3.505 1.00 0.00 N ATOM 277 CA TYR A 19 7.975 -8.553 -4.811 1.00 0.00 C ATOM 278 C TYR A 19 6.691 -9.360 -4.676 1.00 0.00 C ATOM 279 O TYR A 19 5.693 -9.071 -5.334 1.00 0.00 O ATOM 280 CB TYR A 19 8.993 -9.301 -5.671 1.00 0.00 C ATOM 281 CG TYR A 19 10.313 -8.572 -5.800 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.427 -7.436 -6.588 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.443 -9.013 -5.120 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.627 -6.761 -6.700 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.646 -8.344 -5.229 1.00 0.00 C ATOM 286 CZ TYR A 19 12.732 -7.216 -6.017 1.00 0.00 C ATOM 287 OH TYR A 19 13.930 -6.546 -6.126 1.00 0.00 O ATOM 0 H TYR A 19 9.188 -8.967 -3.155 1.00 0.00 H new ATOM 0 HA TYR A 19 7.730 -7.610 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.170 -10.286 -5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.574 -9.459 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.562 -7.073 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.379 -9.893 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.698 -5.880 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.516 -8.703 -4.699 1.00 0.00 H new ATOM 0 HH TYR A 19 14.608 -6.997 -5.580 1.00 0.00 H new ATOM 297 N MET A 20 6.716 -10.359 -3.802 1.00 0.00 N ATOM 298 CA MET A 20 5.563 -11.231 -3.611 1.00 0.00 C ATOM 299 C MET A 20 4.373 -10.456 -3.045 1.00 0.00 C ATOM 300 O MET A 20 3.240 -10.643 -3.488 1.00 0.00 O ATOM 301 CB MET A 20 5.917 -12.401 -2.690 1.00 0.00 C ATOM 302 CG MET A 20 4.747 -13.340 -2.428 1.00 0.00 C ATOM 303 SD MET A 20 4.125 -14.125 -3.929 1.00 0.00 S ATOM 304 CE MET A 20 2.698 -14.995 -3.283 1.00 0.00 C ATOM 0 H MET A 20 7.519 -10.585 -3.216 1.00 0.00 H new ATOM 0 HA MET A 20 5.280 -11.626 -4.587 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.736 -12.968 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.279 -12.009 -1.739 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.058 -14.111 -1.723 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.939 -12.782 -1.955 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.297 -15.657 -4.051 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.993 -15.584 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.934 -14.274 -2.990 1.00 0.00 H new ATOM 314 N ALA A 21 4.636 -9.576 -2.081 1.00 0.00 N ATOM 315 CA ALA A 21 3.574 -8.811 -1.433 1.00 0.00 C ATOM 316 C ALA A 21 2.871 -7.894 -2.422 1.00 0.00 C ATOM 317 O ALA A 21 1.646 -7.861 -2.476 1.00 0.00 O ATOM 318 CB ALA A 21 4.126 -8.002 -0.268 1.00 0.00 C ATOM 0 H ALA A 21 5.573 -9.376 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 21 2.843 -9.523 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.318 -7.440 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.571 -8.676 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.885 -7.310 -0.633 1.00 0.00 H new ATOM 324 N ALA A 22 3.654 -7.171 -3.212 1.00 0.00 N ATOM 325 CA ALA A 22 3.108 -6.224 -4.178 1.00 0.00 C ATOM 326 C ALA A 22 2.215 -6.923 -5.200 1.00 0.00 C ATOM 327 O ALA A 22 1.146 -6.424 -5.543 1.00 0.00 O ATOM 328 CB ALA A 22 4.235 -5.480 -4.883 1.00 0.00 C ATOM 0 H ALA A 22 4.673 -7.222 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 22 2.494 -5.507 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.813 -4.777 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.828 -4.936 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.871 -6.194 -5.406 1.00 0.00 H new ATOM 334 N GLN A 23 2.650 -8.086 -5.671 1.00 0.00 N ATOM 335 CA GLN A 23 1.897 -8.832 -6.677 1.00 0.00 C ATOM 336 C GLN A 23 0.627 -9.439 -6.085 1.00 0.00 C ATOM 337 O GLN A 23 -0.433 -9.412 -6.714 1.00 0.00 O ATOM 338 CB GLN A 23 2.759 -9.944 -7.275 1.00 0.00 C ATOM 339 CG GLN A 23 3.991 -9.449 -8.016 1.00 0.00 C ATOM 340 CD GLN A 23 4.864 -10.587 -8.514 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.871 -11.690 -7.780 1.00 0.00 O flip ATOM 342 NE2 GLN A 23 5.531 -10.474 -9.541 1.00 0.00 N flip ATOM 0 H GLN A 23 3.517 -8.533 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 23 1.614 -8.129 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.075 -10.613 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.149 -10.532 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.681 -8.836 -8.862 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.576 -8.808 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.498 -9.607 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.118 -11.247 -9.856 1.00 0.00 H new ATOM 351 N ALA A 24 0.737 -9.991 -4.881 1.00 0.00 N ATOM 352 CA ALA A 24 -0.410 -10.593 -4.210 1.00 0.00 C ATOM 353 C ALA A 24 -1.413 -9.520 -3.809 1.00 0.00 C ATOM 354 O ALA A 24 -2.626 -9.714 -3.915 1.00 0.00 O ATOM 355 CB ALA A 24 0.043 -11.383 -2.995 1.00 0.00 C ATOM 0 H ALA A 24 1.607 -10.034 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.899 -11.278 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.824 -11.826 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.726 -12.173 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.553 -10.718 -2.298 1.00 0.00 H new ATOM 361 N LEU A 25 -0.894 -8.387 -3.358 1.00 0.00 N ATOM 362 CA LEU A 25 -1.722 -7.237 -3.033 1.00 0.00 C ATOM 363 C LEU A 25 -2.399 -6.715 -4.296 1.00 0.00 C ATOM 364 O LEU A 25 -3.575 -6.350 -4.280 1.00 0.00 O ATOM 365 CB LEU A 25 -0.857 -6.146 -2.392 1.00 0.00 C ATOM 366 CG LEU A 25 -1.593 -4.882 -1.947 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.632 -5.207 -0.883 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.594 -3.862 -1.425 1.00 0.00 C ATOM 0 H LEU A 25 0.104 -8.240 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.495 -7.532 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.352 -6.573 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.082 -5.860 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.114 -4.460 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.143 -4.292 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.358 -5.912 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.140 -5.650 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.123 -2.963 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.054 -4.282 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.113 -3.608 -2.215 1.00 0.00 H new ATOM 380 N LYS A 26 -1.643 -6.706 -5.391 1.00 0.00 N ATOM 381 CA LYS A 26 -2.162 -6.320 -6.699 1.00 0.00 C ATOM 382 C LYS A 26 -3.319 -7.232 -7.091 1.00 0.00 C ATOM 383 O LYS A 26 -4.349 -6.774 -7.585 1.00 0.00 O ATOM 384 CB LYS A 26 -1.057 -6.419 -7.755 1.00 0.00 C ATOM 385 CG LYS A 26 -1.434 -5.816 -9.096 1.00 0.00 C ATOM 386 CD LYS A 26 -1.229 -4.311 -9.105 1.00 0.00 C ATOM 387 CE LYS A 26 0.246 -3.945 -9.198 1.00 0.00 C ATOM 388 NZ LYS A 26 0.863 -4.445 -10.455 1.00 0.00 N ATOM 0 H LYS A 26 -0.657 -6.965 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.515 -5.290 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.164 -5.919 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.798 -7.468 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.833 -6.271 -9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.476 -6.044 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.766 -3.875 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.655 -3.880 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.355 -2.862 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.778 -4.361 -8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.725 -3.900 -10.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.106 -5.450 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.190 -4.334 -11.240 1.00 0.00 H new ATOM 402 N LYS A 27 -3.130 -8.528 -6.856 1.00 0.00 N ATOM 403 CA LYS A 27 -4.133 -9.539 -7.152 1.00 0.00 C ATOM 404 C LYS A 27 -5.421 -9.262 -6.378 1.00 0.00 C ATOM 405 O LYS A 27 -6.514 -9.281 -6.946 1.00 0.00 O ATOM 406 CB LYS A 27 -3.576 -10.914 -6.783 1.00 0.00 C ATOM 407 CG LYS A 27 -4.479 -12.080 -7.134 1.00 0.00 C ATOM 408 CD LYS A 27 -3.866 -13.380 -6.658 1.00 0.00 C ATOM 409 CE LYS A 27 -4.654 -14.584 -7.141 1.00 0.00 C ATOM 410 NZ LYS A 27 -4.103 -15.854 -6.604 1.00 0.00 N ATOM 0 H LYS A 27 -2.272 -8.905 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.369 -9.513 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.619 -11.050 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.379 -10.935 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.458 -11.942 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.635 -12.117 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.839 -13.450 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.825 -13.385 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.696 -14.482 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.641 -14.614 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.667 -16.654 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.117 -15.963 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.139 -15.836 -5.565 1.00 0.00 H new ATOM 424 N GLY A 28 -5.280 -8.990 -5.084 1.00 0.00 N ATOM 425 CA GLY A 28 -6.432 -8.677 -4.258 1.00 0.00 C ATOM 426 C GLY A 28 -7.131 -7.413 -4.716 1.00 0.00 C ATOM 427 O GLY A 28 -8.360 -7.364 -4.795 1.00 0.00 O ATOM 0 H GLY A 28 -4.386 -8.981 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.135 -9.510 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.115 -8.561 -3.222 1.00 0.00 H new ATOM 431 N ALA A 29 -6.342 -6.394 -5.034 1.00 0.00 N ATOM 432 CA ALA A 29 -6.877 -5.134 -5.528 1.00 0.00 C ATOM 433 C ALA A 29 -7.582 -5.329 -6.864 1.00 0.00 C ATOM 434 O ALA A 29 -8.616 -4.716 -7.129 1.00 0.00 O ATOM 435 CB ALA A 29 -5.767 -4.103 -5.658 1.00 0.00 C ATOM 0 H ALA A 29 -5.325 -6.417 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.610 -4.769 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.182 -3.166 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.309 -3.937 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.013 -4.467 -6.356 1.00 0.00 H new ATOM 441 N LYS A 30 -7.018 -6.193 -7.700 1.00 0.00 N ATOM 442 CA LYS A 30 -7.613 -6.522 -8.986 1.00 0.00 C ATOM 443 C LYS A 30 -8.937 -7.250 -8.785 1.00 0.00 C ATOM 444 O LYS A 30 -9.904 -7.016 -9.508 1.00 0.00 O ATOM 445 CB LYS A 30 -6.657 -7.396 -9.806 1.00 0.00 C ATOM 446 CG LYS A 30 -7.165 -7.717 -11.204 1.00 0.00 C ATOM 447 CD LYS A 30 -7.145 -6.492 -12.102 1.00 0.00 C ATOM 448 CE LYS A 30 -5.723 -6.049 -12.418 1.00 0.00 C ATOM 449 NZ LYS A 30 -4.978 -7.083 -13.184 1.00 0.00 N ATOM 0 H LYS A 30 -6.143 -6.680 -7.506 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.798 -5.595 -9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.695 -6.890 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.482 -8.329 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.549 -8.501 -11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.181 -8.107 -11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.672 -6.712 -13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.681 -5.676 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.750 -5.122 -12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.195 -5.834 -11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.131 -6.656 -13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.694 -7.852 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.588 -7.466 -13.935 1.00 0.00 H new ATOM 463 N LYS A 31 -8.972 -8.124 -7.787 1.00 0.00 N ATOM 464 CA LYS A 31 -10.168 -8.897 -7.482 1.00 0.00 C ATOM 465 C LYS A 31 -11.296 -7.987 -7.008 1.00 0.00 C ATOM 466 O LYS A 31 -12.419 -8.063 -7.508 1.00 0.00 O ATOM 467 CB LYS A 31 -9.868 -9.940 -6.405 1.00 0.00 C ATOM 468 CG LYS A 31 -11.022 -10.901 -6.163 1.00 0.00 C ATOM 469 CD LYS A 31 -10.758 -11.822 -4.984 1.00 0.00 C ATOM 470 CE LYS A 31 -9.503 -12.652 -5.184 1.00 0.00 C ATOM 471 NZ LYS A 31 -9.313 -13.628 -4.080 1.00 0.00 N ATOM 0 H LYS A 31 -8.181 -8.315 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.483 -9.402 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.985 -10.509 -6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.626 -9.430 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.935 -10.333 -5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.190 -11.498 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.660 -11.229 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.612 -12.484 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.565 -13.183 -6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.636 -11.994 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.312 -13.906 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.597 -13.193 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.897 -14.470 -4.257 1.00 0.00 H new ATOM 485 N MET A 32 -10.986 -7.123 -6.046 1.00 0.00 N ATOM 486 CA MET A 32 -11.974 -6.201 -5.492 1.00 0.00 C ATOM 487 C MET A 32 -12.340 -5.131 -6.515 1.00 0.00 C ATOM 488 O MET A 32 -13.422 -4.547 -6.459 1.00 0.00 O ATOM 489 CB MET A 32 -11.447 -5.556 -4.206 1.00 0.00 C ATOM 490 CG MET A 32 -11.208 -6.552 -3.081 1.00 0.00 C ATOM 491 SD MET A 32 -10.648 -5.769 -1.555 1.00 0.00 S ATOM 492 CE MET A 32 -12.039 -4.702 -1.182 1.00 0.00 C ATOM 0 H MET A 32 -10.057 -7.042 -5.633 1.00 0.00 H new ATOM 0 HA MET A 32 -12.873 -6.767 -5.249 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.514 -5.037 -4.425 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.159 -4.803 -3.869 1.00 0.00 H new ATOM 0 HG2 MET A 32 -12.130 -7.099 -2.885 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.466 -7.283 -3.402 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.026 -4.444 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 32 -11.969 -3.792 -1.778 1.00 0.00 H new ATOM 0 HE3 MET A 32 -12.969 -5.220 -1.418 1.00 0.00 H new ATOM 502 N GLY A 33 -11.434 -4.883 -7.446 1.00 0.00 N ATOM 503 CA GLY A 33 -11.710 -3.953 -8.519 1.00 0.00 C ATOM 504 C GLY A 33 -11.456 -2.517 -8.118 1.00 0.00 C ATOM 505 O GLY A 33 -12.380 -1.705 -8.085 1.00 0.00 O ATOM 0 H GLY A 33 -10.509 -5.311 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.090 -4.202 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.748 -4.062 -8.832 1.00 0.00 H new ATOM 509 N ASN A 34 -10.211 -2.206 -7.793 1.00 0.00 N ATOM 510 CA ASN A 34 -9.828 -0.844 -7.455 1.00 0.00 C ATOM 511 C ASN A 34 -8.524 -0.469 -8.142 1.00 0.00 C ATOM 512 O ASN A 34 -7.920 -1.288 -8.836 1.00 0.00 O ATOM 513 CB ASN A 34 -9.697 -0.671 -5.936 1.00 0.00 C ATOM 514 CG ASN A 34 -8.561 -1.472 -5.327 1.00 0.00 C ATOM 515 OD1 ASN A 34 -8.859 -2.686 -4.890 1.00 0.00 O flip ATOM 516 ND2 ASN A 34 -7.429 -1.003 -5.239 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.447 -2.880 -7.756 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.614 -0.177 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.547 0.385 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.633 -0.968 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.238 -0.064 -5.587 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.680 -1.553 -4.818 1.00 0.00 H new ATOM 523 N LEU A 35 -8.107 0.773 -7.949 1.00 0.00 N ATOM 524 CA LEU A 35 -6.876 1.280 -8.540 1.00 0.00 C ATOM 525 C LEU A 35 -5.825 1.432 -7.459 1.00 0.00 C ATOM 526 O LEU A 35 -5.933 2.307 -6.595 1.00 0.00 O ATOM 527 CB LEU A 35 -7.094 2.637 -9.231 1.00 0.00 C ATOM 528 CG LEU A 35 -8.029 2.643 -10.447 1.00 0.00 C ATOM 529 CD1 LEU A 35 -7.698 1.498 -11.392 1.00 0.00 C ATOM 530 CD2 LEU A 35 -9.488 2.596 -10.018 1.00 0.00 C ATOM 0 H LEU A 35 -8.609 1.456 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.546 0.566 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.489 3.336 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.123 3.020 -9.545 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.873 3.578 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.375 1.524 -12.246 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.670 1.599 -11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.812 0.549 -10.868 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.127 2.601 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.669 1.687 -9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.714 3.466 -9.401 1.00 0.00 H new ATOM 542 N ILE A 36 -4.814 0.587 -7.496 1.00 0.00 N ATOM 543 CA ILE A 36 -3.808 0.586 -6.459 1.00 0.00 C ATOM 544 C ILE A 36 -2.444 0.995 -7.009 1.00 0.00 C ATOM 545 O ILE A 36 -2.075 0.647 -8.134 1.00 0.00 O ATOM 546 CB ILE A 36 -3.718 -0.795 -5.770 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.829 -0.712 -4.528 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.197 -1.852 -6.739 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.801 -1.988 -3.715 1.00 0.00 C ATOM 0 H ILE A 36 -4.670 -0.105 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.109 1.322 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.720 -1.090 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.813 -0.465 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.178 0.104 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.142 -2.815 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.872 -1.929 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.204 -1.568 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.151 -1.854 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.810 -2.226 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.423 -2.804 -4.331 1.00 0.00 H new ATOM 561 N LYS A 37 -1.725 1.764 -6.213 1.00 0.00 N ATOM 562 CA LYS A 37 -0.370 2.167 -6.530 1.00 0.00 C ATOM 563 C LYS A 37 0.585 1.580 -5.502 1.00 0.00 C ATOM 564 O LYS A 37 0.684 2.078 -4.380 1.00 0.00 O ATOM 565 CB LYS A 37 -0.254 3.695 -6.535 1.00 0.00 C ATOM 566 CG LYS A 37 -0.129 4.313 -7.919 1.00 0.00 C ATOM 567 CD LYS A 37 1.157 3.880 -8.606 1.00 0.00 C ATOM 568 CE LYS A 37 1.488 4.766 -9.799 1.00 0.00 C ATOM 569 NZ LYS A 37 0.413 4.760 -10.824 1.00 0.00 N ATOM 0 H LYS A 37 -2.067 2.128 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.112 1.796 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.130 4.115 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.614 3.983 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.985 4.021 -8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.152 5.400 -7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.979 3.911 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.062 2.846 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.653 5.787 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.420 4.428 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.720 5.309 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.213 3.781 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.448 5.186 -10.426 1.00 0.00 H new ATOM 583 N VAL A 38 1.264 0.511 -5.878 1.00 0.00 N ATOM 584 CA VAL A 38 2.192 -0.150 -4.981 1.00 0.00 C ATOM 585 C VAL A 38 3.607 0.370 -5.187 1.00 0.00 C ATOM 586 O VAL A 38 4.115 0.404 -6.307 1.00 0.00 O ATOM 587 CB VAL A 38 2.173 -1.687 -5.151 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.873 -2.260 -4.617 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.369 -2.087 -6.607 1.00 0.00 C ATOM 0 H VAL A 38 1.189 0.082 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 38 1.866 0.080 -3.967 1.00 0.00 H new ATOM 0 HB VAL A 38 3.004 -2.098 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.874 -3.343 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.776 -2.018 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.034 -1.831 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.351 -3.174 -6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.568 -1.662 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.329 -1.712 -6.961 1.00 0.00 H new ATOM 599 N GLU A 39 4.230 0.793 -4.102 1.00 0.00 N ATOM 600 CA GLU A 39 5.585 1.316 -4.149 1.00 0.00 C ATOM 601 C GLU A 39 6.578 0.210 -3.818 1.00 0.00 C ATOM 602 O GLU A 39 6.278 -0.686 -3.028 1.00 0.00 O ATOM 603 CB GLU A 39 5.730 2.494 -3.180 1.00 0.00 C ATOM 604 CG GLU A 39 7.103 3.143 -3.201 1.00 0.00 C ATOM 605 CD GLU A 39 7.130 4.489 -2.504 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.718 5.489 -3.128 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.579 4.554 -1.340 1.00 0.00 O ATOM 0 H GLU A 39 3.816 0.784 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 39 5.797 1.678 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.980 3.246 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.518 2.148 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.821 2.477 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.424 3.268 -4.235 1.00 0.00 H new ATOM 614 N THR A 40 7.747 0.266 -4.437 1.00 0.00 N ATOM 615 CA THR A 40 8.739 -0.782 -4.293 1.00 0.00 C ATOM 616 C THR A 40 10.084 -0.199 -3.872 1.00 0.00 C ATOM 617 O THR A 40 10.659 0.632 -4.579 1.00 0.00 O ATOM 618 CB THR A 40 8.906 -1.547 -5.619 1.00 0.00 C ATOM 619 OG1 THR A 40 7.620 -1.951 -6.106 1.00 0.00 O ATOM 620 CG2 THR A 40 9.794 -2.771 -5.446 1.00 0.00 C ATOM 0 H THR A 40 8.031 1.032 -5.047 1.00 0.00 H new ATOM 0 HA THR A 40 8.393 -1.469 -3.520 1.00 0.00 H new ATOM 0 HB THR A 40 9.384 -0.880 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.728 -2.436 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.891 -3.288 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.780 -2.459 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.348 -3.443 -4.713 1.00 0.00 H new ATOM 628 N GLN A 41 10.569 -0.626 -2.716 1.00 0.00 N ATOM 629 CA GLN A 41 11.870 -0.200 -2.224 1.00 0.00 C ATOM 630 C GLN A 41 12.734 -1.426 -1.947 1.00 0.00 C ATOM 631 O GLN A 41 12.250 -2.418 -1.401 1.00 0.00 O ATOM 632 CB GLN A 41 11.719 0.625 -0.943 1.00 0.00 C ATOM 633 CG GLN A 41 13.011 1.277 -0.477 1.00 0.00 C ATOM 634 CD GLN A 41 12.934 1.766 0.956 1.00 0.00 C ATOM 635 OE1 GLN A 41 13.288 1.048 1.886 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.464 2.985 1.143 1.00 0.00 N ATOM 0 H GLN A 41 10.077 -1.271 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 41 12.346 0.422 -2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.971 1.400 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.341 -0.020 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.828 0.562 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.246 2.116 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.180 3.550 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.385 3.362 2.088 1.00 0.00 H new ATOM 645 N GLY A 42 13.996 -1.367 -2.341 1.00 0.00 N ATOM 646 CA GLY A 42 14.897 -2.469 -2.077 1.00 0.00 C ATOM 647 C GLY A 42 15.501 -2.387 -0.691 1.00 0.00 C ATOM 648 O GLY A 42 15.327 -3.285 0.132 1.00 0.00 O ATOM 0 H GLY A 42 14.412 -0.579 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.359 -3.411 -2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.694 -2.472 -2.820 1.00 0.00 H new ATOM 652 N ALA A 43 16.216 -1.303 -0.439 1.00 0.00 N ATOM 653 CA ALA A 43 16.831 -1.063 0.858 1.00 0.00 C ATOM 654 C ALA A 43 16.775 0.420 1.202 1.00 0.00 C ATOM 655 O ALA A 43 16.550 0.795 2.352 1.00 0.00 O ATOM 656 CB ALA A 43 18.268 -1.561 0.868 1.00 0.00 C ATOM 0 H ALA A 43 16.387 -0.567 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 43 16.274 -1.615 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.711 -1.373 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.284 -2.631 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.840 -1.036 0.103 1.00 0.00 H new ATOM 662 N THR A 44 16.996 1.261 0.200 1.00 0.00 N ATOM 663 CA THR A 44 16.866 2.700 0.373 1.00 0.00 C ATOM 664 C THR A 44 16.413 3.357 -0.930 1.00 0.00 C ATOM 665 O THR A 44 15.914 4.482 -0.928 1.00 0.00 O ATOM 666 CB THR A 44 18.189 3.345 0.856 1.00 0.00 C ATOM 667 OG1 THR A 44 18.000 4.748 1.095 1.00 0.00 O ATOM 668 CG2 THR A 44 19.309 3.147 -0.157 1.00 0.00 C ATOM 0 H THR A 44 17.266 0.971 -0.740 1.00 0.00 H new ATOM 0 HA THR A 44 16.112 2.866 1.142 1.00 0.00 H new ATOM 0 HB THR A 44 18.476 2.851 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.842 5.144 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.222 3.612 0.215 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.480 2.081 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.028 3.606 -1.105 1.00 0.00 H new ATOM 676 N GLY A 45 16.586 2.643 -2.035 1.00 0.00 N ATOM 677 CA GLY A 45 16.173 3.155 -3.321 1.00 0.00 C ATOM 678 C GLY A 45 14.761 2.741 -3.669 1.00 0.00 C ATOM 679 O GLY A 45 14.404 1.563 -3.564 1.00 0.00 O ATOM 0 H GLY A 45 17.007 1.714 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.241 4.243 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.856 2.796 -4.091 1.00 0.00 H new ATOM 683 N ILE A 46 13.954 3.712 -4.064 1.00 0.00 N ATOM 684 CA ILE A 46 12.571 3.463 -4.429 1.00 0.00 C ATOM 685 C ILE A 46 12.435 3.390 -5.944 1.00 0.00 C ATOM 686 O ILE A 46 12.877 4.290 -6.657 1.00 0.00 O ATOM 687 CB ILE A 46 11.644 4.568 -3.880 1.00 0.00 C ATOM 688 CG1 ILE A 46 11.785 4.666 -2.359 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.198 4.297 -4.273 1.00 0.00 C ATOM 690 CD1 ILE A 46 10.975 5.785 -1.741 1.00 0.00 C ATOM 0 H ILE A 46 14.238 4.689 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 46 12.273 2.511 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 46 11.939 5.522 -4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.479 3.720 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 46 12.836 4.810 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.559 5.087 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.115 4.273 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.884 3.337 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.126 5.791 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.296 6.740 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.918 5.632 -1.958 1.00 0.00 H new ATOM 702 N GLU A 47 11.832 2.317 -6.434 1.00 0.00 N ATOM 703 CA GLU A 47 11.697 2.122 -7.869 1.00 0.00 C ATOM 704 C GLU A 47 10.364 2.677 -8.360 1.00 0.00 C ATOM 705 O GLU A 47 10.327 3.519 -9.256 1.00 0.00 O ATOM 706 CB GLU A 47 11.832 0.639 -8.225 1.00 0.00 C ATOM 707 CG GLU A 47 11.980 0.387 -9.716 1.00 0.00 C ATOM 708 CD GLU A 47 12.273 -1.064 -10.041 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.455 -1.466 -9.971 1.00 0.00 O ATOM 710 OE2 GLU A 47 11.328 -1.802 -10.385 1.00 0.00 O ATOM 0 H GLU A 47 11.431 1.573 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 47 12.498 2.666 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.697 0.226 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.956 0.104 -7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.064 0.690 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.783 1.011 -10.107 1.00 0.00 H new ATOM 717 N ASN A 48 9.276 2.226 -7.752 1.00 0.00 N ATOM 718 CA ASN A 48 7.948 2.699 -8.126 1.00 0.00 C ATOM 719 C ASN A 48 7.536 3.826 -7.191 1.00 0.00 C ATOM 720 O ASN A 48 6.735 3.632 -6.280 1.00 0.00 O ATOM 721 CB ASN A 48 6.915 1.570 -8.068 1.00 0.00 C ATOM 722 CG ASN A 48 5.619 1.938 -8.771 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.439 1.650 -9.955 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.712 2.585 -8.054 1.00 0.00 N ATOM 0 H ASN A 48 9.285 1.536 -7.001 1.00 0.00 H new ATOM 0 HA ASN A 48 7.987 3.061 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.333 0.674 -8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.704 1.326 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.828 2.862 -8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.898 2.806 -7.076 1.00 0.00 H new ATOM 731 N GLU A 49 8.133 4.984 -7.407 1.00 0.00 N ATOM 732 CA GLU A 49 7.919 6.147 -6.550 1.00 0.00 C ATOM 733 C GLU A 49 6.482 6.654 -6.641 1.00 0.00 C ATOM 734 O GLU A 49 5.988 6.942 -7.735 1.00 0.00 O ATOM 735 CB GLU A 49 8.877 7.265 -6.958 1.00 0.00 C ATOM 736 CG GLU A 49 10.323 6.815 -7.068 1.00 0.00 C ATOM 737 CD GLU A 49 11.227 7.890 -7.631 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.212 8.100 -8.859 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.968 8.524 -6.848 1.00 0.00 O ATOM 0 H GLU A 49 8.779 5.150 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 49 8.108 5.845 -5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.558 7.674 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.811 8.073 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.684 6.522 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.377 5.931 -7.703 1.00 0.00 H new ATOM 746 N LEU A 50 5.811 6.751 -5.499 1.00 0.00 N ATOM 747 CA LEU A 50 4.476 7.336 -5.445 1.00 0.00 C ATOM 748 C LEU A 50 4.577 8.858 -5.431 1.00 0.00 C ATOM 749 O LEU A 50 5.040 9.454 -4.455 1.00 0.00 O ATOM 750 CB LEU A 50 3.722 6.841 -4.206 1.00 0.00 C ATOM 751 CG LEU A 50 3.592 5.321 -4.088 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.791 4.948 -2.852 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.947 4.741 -5.336 1.00 0.00 C ATOM 0 H LEU A 50 6.169 6.432 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 50 3.921 7.026 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.229 7.217 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.723 7.276 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 50 4.592 4.898 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.709 3.863 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.294 5.329 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.794 5.383 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.863 3.659 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.954 5.171 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.561 4.976 -6.206 1.00 0.00 H new ATOM 765 N THR A 51 4.148 9.488 -6.515 1.00 0.00 N ATOM 766 CA THR A 51 4.308 10.926 -6.668 1.00 0.00 C ATOM 767 C THR A 51 3.097 11.683 -6.135 1.00 0.00 C ATOM 768 O THR A 51 2.091 11.070 -5.771 1.00 0.00 O ATOM 769 CB THR A 51 4.543 11.307 -8.141 1.00 0.00 C ATOM 770 OG1 THR A 51 3.443 10.866 -8.956 1.00 0.00 O ATOM 771 CG2 THR A 51 5.838 10.695 -8.651 1.00 0.00 C ATOM 0 H THR A 51 3.688 9.027 -7.300 1.00 0.00 H new ATOM 0 HA THR A 51 5.183 11.210 -6.084 1.00 0.00 H new ATOM 0 HB THR A 51 4.618 12.393 -8.203 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.353 9.893 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.987 10.975 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.673 11.061 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.783 9.609 -8.571 1.00 0.00 H new ATOM 779 N GLU A 52 3.200 13.014 -6.111 1.00 0.00 N ATOM 780 CA GLU A 52 2.140 13.887 -5.599 1.00 0.00 C ATOM 781 C GLU A 52 0.784 13.509 -6.195 1.00 0.00 C ATOM 782 O GLU A 52 -0.211 13.385 -5.481 1.00 0.00 O ATOM 783 CB GLU A 52 2.469 15.345 -5.946 1.00 0.00 C ATOM 784 CG GLU A 52 1.572 16.374 -5.272 1.00 0.00 C ATOM 785 CD GLU A 52 1.813 16.468 -3.780 1.00 0.00 C ATOM 786 OE1 GLU A 52 2.988 16.526 -3.368 1.00 0.00 O ATOM 787 OE2 GLU A 52 0.830 16.482 -3.013 1.00 0.00 O ATOM 0 H GLU A 52 4.021 13.518 -6.446 1.00 0.00 H new ATOM 0 HA GLU A 52 2.083 13.767 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.504 15.546 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.398 15.473 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.741 17.351 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.529 16.115 -5.452 1.00 0.00 H new ATOM 794 N LYS A 53 0.772 13.307 -7.506 1.00 0.00 N ATOM 795 CA LYS A 53 -0.441 12.960 -8.234 1.00 0.00 C ATOM 796 C LYS A 53 -1.067 11.681 -7.679 1.00 0.00 C ATOM 797 O LYS A 53 -2.254 11.655 -7.359 1.00 0.00 O ATOM 798 CB LYS A 53 -0.105 12.812 -9.729 1.00 0.00 C ATOM 799 CG LYS A 53 -1.306 12.584 -10.644 1.00 0.00 C ATOM 800 CD LYS A 53 -1.638 11.106 -10.805 1.00 0.00 C ATOM 801 CE LYS A 53 -0.478 10.327 -11.412 1.00 0.00 C ATOM 802 NZ LYS A 53 -0.114 10.815 -12.770 1.00 0.00 N ATOM 0 H LYS A 53 1.602 13.379 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.176 13.756 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.418 13.710 -10.058 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.587 11.978 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.173 13.107 -10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.101 13.017 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.891 10.683 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.519 10.998 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.390 10.404 -10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.743 9.271 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.572 10.163 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.967 10.862 -13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.309 11.762 -12.697 1.00 0.00 H new ATOM 816 N ASP A 54 -0.261 10.636 -7.542 1.00 0.00 N ATOM 817 CA ASP A 54 -0.753 9.339 -7.075 1.00 0.00 C ATOM 818 C ASP A 54 -1.279 9.449 -5.657 1.00 0.00 C ATOM 819 O ASP A 54 -2.360 8.953 -5.333 1.00 0.00 O ATOM 820 CB ASP A 54 0.357 8.281 -7.110 1.00 0.00 C ATOM 821 CG ASP A 54 1.106 8.237 -8.425 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.509 7.848 -9.450 1.00 0.00 O ATOM 823 OD2 ASP A 54 2.307 8.591 -8.435 1.00 0.00 O ATOM 0 H ASP A 54 0.738 10.658 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.558 9.035 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.064 8.480 -6.305 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.079 7.301 -6.916 1.00 0.00 H new ATOM 828 N VAL A 55 -0.507 10.129 -4.828 1.00 0.00 N ATOM 829 CA VAL A 55 -0.791 10.250 -3.411 1.00 0.00 C ATOM 830 C VAL A 55 -2.128 10.941 -3.149 1.00 0.00 C ATOM 831 O VAL A 55 -2.900 10.509 -2.294 1.00 0.00 O ATOM 832 CB VAL A 55 0.337 11.024 -2.707 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.031 11.205 -1.235 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.662 10.303 -2.891 1.00 0.00 C ATOM 0 H VAL A 55 0.340 10.616 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.853 9.239 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 55 0.410 12.013 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.843 11.755 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.899 11.762 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.072 10.228 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.452 10.860 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.595 9.303 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.891 10.228 -3.954 1.00 0.00 H new ATOM 844 N ASN A 56 -2.407 11.998 -3.895 1.00 0.00 N ATOM 845 CA ASN A 56 -3.617 12.782 -3.668 1.00 0.00 C ATOM 846 C ASN A 56 -4.847 12.102 -4.247 1.00 0.00 C ATOM 847 O ASN A 56 -5.973 12.400 -3.848 1.00 0.00 O ATOM 848 CB ASN A 56 -3.474 14.187 -4.247 1.00 0.00 C ATOM 849 CG ASN A 56 -2.600 15.069 -3.382 1.00 0.00 C ATOM 850 OD1 ASN A 56 -3.085 15.738 -2.466 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.312 15.079 -3.666 1.00 0.00 N ATOM 0 H ASN A 56 -1.819 12.333 -4.658 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.751 12.857 -2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.048 14.125 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.460 14.640 -4.347 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.674 15.656 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.954 14.510 -4.433 1.00 0.00 H new ATOM 858 N ILE A 57 -4.637 11.195 -5.186 1.00 0.00 N ATOM 859 CA ILE A 57 -5.737 10.438 -5.754 1.00 0.00 C ATOM 860 C ILE A 57 -6.117 9.289 -4.824 1.00 0.00 C ATOM 861 O ILE A 57 -7.298 9.031 -4.595 1.00 0.00 O ATOM 862 CB ILE A 57 -5.388 9.892 -7.159 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.119 11.048 -8.128 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.499 8.996 -7.693 1.00 0.00 C ATOM 865 CD1 ILE A 57 -6.264 12.032 -8.240 1.00 0.00 C ATOM 0 H ILE A 57 -3.720 10.966 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.586 11.113 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.484 9.289 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.225 11.581 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.906 10.639 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.226 8.627 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.642 8.152 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.425 9.567 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.998 12.821 -8.944 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.155 11.514 -8.595 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.464 12.470 -7.262 1.00 0.00 H new ATOM 877 N GLY A 58 -5.102 8.618 -4.286 1.00 0.00 N ATOM 878 CA GLY A 58 -5.324 7.514 -3.375 1.00 0.00 C ATOM 879 C GLY A 58 -6.020 7.931 -2.090 1.00 0.00 C ATOM 880 O GLY A 58 -5.667 8.944 -1.480 1.00 0.00 O ATOM 0 H GLY A 58 -4.120 8.824 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.923 6.753 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.366 7.055 -3.130 1.00 0.00 H new ATOM 884 N GLU A 59 -7.001 7.140 -1.683 1.00 0.00 N ATOM 885 CA GLU A 59 -7.764 7.405 -0.472 1.00 0.00 C ATOM 886 C GLU A 59 -6.950 7.016 0.757 1.00 0.00 C ATOM 887 O GLU A 59 -6.570 7.863 1.565 1.00 0.00 O ATOM 888 CB GLU A 59 -9.067 6.600 -0.490 1.00 0.00 C ATOM 889 CG GLU A 59 -9.917 6.816 -1.733 1.00 0.00 C ATOM 890 CD GLU A 59 -10.540 8.193 -1.788 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.521 8.428 -1.055 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.067 9.036 -2.576 1.00 0.00 O ATOM 0 H GLU A 59 -7.290 6.298 -2.181 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.993 8.470 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.827 5.540 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.655 6.863 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.300 6.666 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.706 6.064 -1.763 1.00 0.00 H new ATOM 899 N VAL A 60 -6.672 5.724 0.870 1.00 0.00 N ATOM 900 CA VAL A 60 -5.957 5.185 2.017 1.00 0.00 C ATOM 901 C VAL A 60 -4.540 4.788 1.639 1.00 0.00 C ATOM 902 O VAL A 60 -4.265 4.448 0.485 1.00 0.00 O ATOM 903 CB VAL A 60 -6.681 3.959 2.614 1.00 0.00 C ATOM 904 CG1 VAL A 60 -7.991 4.372 3.259 1.00 0.00 C ATOM 905 CG2 VAL A 60 -6.922 2.898 1.546 1.00 0.00 C ATOM 0 H VAL A 60 -6.934 5.025 0.174 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.925 5.975 2.767 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.039 3.529 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.485 3.493 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.794 5.088 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.636 4.832 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.433 2.044 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.538 3.316 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.967 2.574 1.133 1.00 0.00 H new ATOM 915 N VAL A 61 -3.647 4.844 2.612 1.00 0.00 N ATOM 916 CA VAL A 61 -2.259 4.476 2.398 1.00 0.00 C ATOM 917 C VAL A 61 -1.910 3.249 3.219 1.00 0.00 C ATOM 918 O VAL A 61 -1.912 3.293 4.444 1.00 0.00 O ATOM 919 CB VAL A 61 -1.294 5.608 2.789 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.101 5.316 2.258 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.803 6.953 2.296 1.00 0.00 C ATOM 0 H VAL A 61 -3.861 5.143 3.564 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.148 4.272 1.333 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.241 5.659 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.775 6.125 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.462 4.378 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.067 5.236 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.102 7.736 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.894 6.932 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.778 7.157 2.738 1.00 0.00 H new ATOM 931 N ILE A 62 -1.612 2.154 2.556 1.00 0.00 N ATOM 932 CA ILE A 62 -1.253 0.939 3.259 1.00 0.00 C ATOM 933 C ILE A 62 0.260 0.763 3.260 1.00 0.00 C ATOM 934 O ILE A 62 0.913 0.904 2.228 1.00 0.00 O ATOM 935 CB ILE A 62 -1.924 -0.304 2.630 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.449 -0.146 2.628 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.522 -1.567 3.380 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.182 -1.285 1.949 1.00 0.00 C ATOM 0 H ILE A 62 -1.610 2.078 1.539 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.611 1.032 4.284 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.583 -0.393 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.798 -0.065 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.707 0.788 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.004 -2.431 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.440 -1.689 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.834 -1.487 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.256 -1.101 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.863 -1.354 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.955 -2.220 2.461 1.00 0.00 H new ATOM 950 N PHE A 63 0.822 0.477 4.420 1.00 0.00 N ATOM 951 CA PHE A 63 2.251 0.252 4.528 1.00 0.00 C ATOM 952 C PHE A 63 2.537 -1.179 4.935 1.00 0.00 C ATOM 953 O PHE A 63 2.227 -1.585 6.051 1.00 0.00 O ATOM 954 CB PHE A 63 2.889 1.204 5.541 1.00 0.00 C ATOM 955 CG PHE A 63 2.932 2.635 5.099 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.841 3.047 4.140 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.067 3.571 5.646 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.887 4.365 3.733 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.110 4.889 5.244 1.00 0.00 C ATOM 960 CZ PHE A 63 3.022 5.287 4.285 1.00 0.00 C ATOM 0 H PHE A 63 0.311 0.395 5.299 1.00 0.00 H new ATOM 0 HA PHE A 63 2.685 0.443 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.337 1.142 6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.905 0.869 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.521 2.330 3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.352 3.264 6.395 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.600 4.674 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.432 5.609 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.057 6.319 3.968 1.00 0.00 H new ATOM 970 N ALA A 64 3.109 -1.941 4.025 1.00 0.00 N ATOM 971 CA ALA A 64 3.586 -3.269 4.344 1.00 0.00 C ATOM 972 C ALA A 64 5.083 -3.311 4.113 1.00 0.00 C ATOM 973 O ALA A 64 5.551 -3.603 3.010 1.00 0.00 O ATOM 974 CB ALA A 64 2.871 -4.312 3.504 1.00 0.00 C ATOM 0 H ALA A 64 3.255 -1.661 3.055 1.00 0.00 H new ATOM 0 HA ALA A 64 3.375 -3.498 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.245 -5.304 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.800 -4.266 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.054 -4.116 2.447 1.00 0.00 H new ATOM 980 N VAL A 65 5.836 -2.995 5.152 1.00 0.00 N ATOM 981 CA VAL A 65 7.262 -2.777 5.003 1.00 0.00 C ATOM 982 C VAL A 65 8.068 -3.334 6.170 1.00 0.00 C ATOM 983 O VAL A 65 7.653 -3.269 7.326 1.00 0.00 O ATOM 984 CB VAL A 65 7.589 -1.273 4.841 1.00 0.00 C ATOM 985 CG1 VAL A 65 7.149 -0.760 3.478 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.942 -0.454 5.949 1.00 0.00 C ATOM 0 H VAL A 65 5.485 -2.884 6.103 1.00 0.00 H new ATOM 0 HA VAL A 65 7.549 -3.316 4.100 1.00 0.00 H new ATOM 0 HB VAL A 65 8.671 -1.160 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.391 0.299 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.667 -1.315 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.073 -0.896 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.187 0.599 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.860 -0.583 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.315 -0.791 6.916 1.00 0.00 H new ATOM 996 N ASP A 66 9.215 -3.903 5.835 1.00 0.00 N ATOM 997 CA ASP A 66 10.214 -4.303 6.821 1.00 0.00 C ATOM 998 C ASP A 66 11.273 -3.208 6.922 1.00 0.00 C ATOM 999 O ASP A 66 11.995 -3.098 7.910 1.00 0.00 O ATOM 1000 CB ASP A 66 10.850 -5.638 6.415 1.00 0.00 C ATOM 1001 CG ASP A 66 12.108 -5.969 7.198 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.999 -6.358 8.379 1.00 0.00 O ATOM 1003 OD2 ASP A 66 13.217 -5.858 6.623 1.00 0.00 O ATOM 0 H ASP A 66 9.483 -4.102 4.871 1.00 0.00 H new ATOM 0 HA ASP A 66 9.742 -4.437 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.122 -6.437 6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.089 -5.610 5.352 1.00 0.00 H new ATOM 1008 N THR A 67 11.334 -2.389 5.880 1.00 0.00 N ATOM 1009 CA THR A 67 12.244 -1.258 5.828 1.00 0.00 C ATOM 1010 C THR A 67 11.443 0.042 5.878 1.00 0.00 C ATOM 1011 O THR A 67 10.273 0.061 5.494 1.00 0.00 O ATOM 1012 CB THR A 67 13.109 -1.306 4.547 1.00 0.00 C ATOM 1013 OG1 THR A 67 13.914 -0.125 4.432 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.237 -1.459 3.309 1.00 0.00 C ATOM 0 H THR A 67 10.753 -2.492 5.048 1.00 0.00 H new ATOM 0 HA THR A 67 12.913 -1.305 6.687 1.00 0.00 H new ATOM 0 HB THR A 67 13.765 -2.173 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.746 0.302 3.566 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.868 -1.490 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.664 -2.383 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.553 -0.613 3.239 1.00 0.00 H new ATOM 1022 N LYS A 68 12.058 1.116 6.354 1.00 0.00 N ATOM 1023 CA LYS A 68 11.347 2.378 6.504 1.00 0.00 C ATOM 1024 C LYS A 68 11.208 3.081 5.158 1.00 0.00 C ATOM 1025 O LYS A 68 11.944 2.795 4.210 1.00 0.00 O ATOM 1026 CB LYS A 68 12.057 3.299 7.502 1.00 0.00 C ATOM 1027 CG LYS A 68 13.311 3.960 6.950 1.00 0.00 C ATOM 1028 CD LYS A 68 13.843 5.014 7.904 1.00 0.00 C ATOM 1029 CE LYS A 68 15.009 5.780 7.300 1.00 0.00 C ATOM 1030 NZ LYS A 68 15.494 6.841 8.213 1.00 0.00 N ATOM 0 H LYS A 68 13.037 1.140 6.640 1.00 0.00 H new ATOM 0 HA LYS A 68 10.353 2.152 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.362 4.074 7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.323 2.722 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.077 3.204 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.089 4.417 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.044 5.710 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.161 4.538 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.823 5.090 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.702 6.225 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.289 7.344 7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.724 7.513 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.810 6.412 9.106 1.00 0.00 H new ATOM 1044 N VAL A 69 10.269 4.009 5.082 1.00 0.00 N ATOM 1045 CA VAL A 69 10.011 4.732 3.848 1.00 0.00 C ATOM 1046 C VAL A 69 10.254 6.224 4.041 1.00 0.00 C ATOM 1047 O VAL A 69 10.144 6.744 5.155 1.00 0.00 O ATOM 1048 CB VAL A 69 8.561 4.518 3.356 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.266 3.041 3.165 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.563 5.131 4.324 1.00 0.00 C ATOM 0 H VAL A 69 9.671 4.280 5.863 1.00 0.00 H new ATOM 0 HA VAL A 69 10.697 4.340 3.097 1.00 0.00 H new ATOM 0 HB VAL A 69 8.460 5.018 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.240 2.917 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.951 2.626 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.395 2.519 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.551 4.967 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.673 4.665 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.749 6.202 4.409 1.00 0.00 H new ATOM 1060 N ARG A 70 10.593 6.909 2.960 1.00 0.00 N ATOM 1061 CA ARG A 70 10.724 8.357 2.998 1.00 0.00 C ATOM 1062 C ARG A 70 9.398 9.015 2.640 1.00 0.00 C ATOM 1063 O ARG A 70 8.957 9.941 3.312 1.00 0.00 O ATOM 1064 CB ARG A 70 11.794 8.849 2.023 1.00 0.00 C ATOM 1065 CG ARG A 70 11.777 10.363 1.867 1.00 0.00 C ATOM 1066 CD ARG A 70 12.447 10.819 0.584 1.00 0.00 C ATOM 1067 NE ARG A 70 11.843 12.053 0.081 1.00 0.00 N ATOM 1068 CZ ARG A 70 12.198 12.644 -1.061 1.00 0.00 C ATOM 1069 NH1 ARG A 70 13.236 12.196 -1.759 1.00 0.00 N ATOM 1070 NH2 ARG A 70 11.531 13.705 -1.490 1.00 0.00 N ATOM 0 H ARG A 70 10.782 6.488 2.050 1.00 0.00 H new ATOM 0 HA ARG A 70 11.018 8.630 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.776 8.533 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.638 8.383 1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.746 10.716 1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.281 10.819 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.510 10.978 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.364 10.037 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 70 11.106 12.487 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.769 11.394 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.500 12.654 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.748 14.069 -0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.801 14.158 -2.363 1.00 0.00 H new ATOM 1084 N ASN A 71 8.750 8.490 1.596 1.00 0.00 N ATOM 1085 CA ASN A 71 7.568 9.124 0.998 1.00 0.00 C ATOM 1086 C ASN A 71 6.411 9.276 1.984 1.00 0.00 C ATOM 1087 O ASN A 71 5.413 9.928 1.677 1.00 0.00 O ATOM 1088 CB ASN A 71 7.114 8.362 -0.251 1.00 0.00 C ATOM 1089 CG ASN A 71 8.083 8.544 -1.407 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.791 9.548 -1.481 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.125 7.588 -2.317 1.00 0.00 N ATOM 0 H ASN A 71 9.027 7.619 1.143 1.00 0.00 H new ATOM 0 HA ASN A 71 7.870 10.131 0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.023 7.301 -0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.124 8.709 -0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.758 7.669 -3.112 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.524 6.769 -2.224 1.00 0.00 H new ATOM 1098 N LYS A 72 6.556 8.688 3.170 1.00 0.00 N ATOM 1099 CA LYS A 72 5.588 8.852 4.251 1.00 0.00 C ATOM 1100 C LYS A 72 5.304 10.338 4.500 1.00 0.00 C ATOM 1101 O LYS A 72 4.243 10.687 4.996 1.00 0.00 O ATOM 1102 CB LYS A 72 6.099 8.187 5.535 1.00 0.00 C ATOM 1103 CG LYS A 72 5.056 8.093 6.642 1.00 0.00 C ATOM 1104 CD LYS A 72 5.600 7.378 7.869 1.00 0.00 C ATOM 1105 CE LYS A 72 6.796 8.107 8.467 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.421 9.422 9.058 1.00 0.00 N ATOM 0 H LYS A 72 7.345 8.087 3.407 1.00 0.00 H new ATOM 0 HA LYS A 72 4.658 8.367 3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.452 7.184 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.957 8.747 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.729 9.095 6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.179 7.563 6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.814 7.295 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.891 6.363 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.252 7.483 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.549 8.260 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.273 9.895 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.979 10.017 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.748 9.273 9.837 1.00 0.00 H new ATOM 1120 N GLU A 73 6.261 11.195 4.123 1.00 0.00 N ATOM 1121 CA GLU A 73 6.115 12.658 4.208 1.00 0.00 C ATOM 1122 C GLU A 73 4.720 13.112 3.776 1.00 0.00 C ATOM 1123 O GLU A 73 4.073 13.910 4.448 1.00 0.00 O ATOM 1124 CB GLU A 73 7.124 13.343 3.282 1.00 0.00 C ATOM 1125 CG GLU A 73 8.570 12.939 3.495 1.00 0.00 C ATOM 1126 CD GLU A 73 9.388 13.113 2.232 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.181 12.336 1.277 1.00 0.00 O ATOM 1128 OE2 GLU A 73 10.234 14.028 2.181 1.00 0.00 O ATOM 0 H GLU A 73 7.161 10.895 3.749 1.00 0.00 H new ATOM 0 HA GLU A 73 6.285 12.933 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.851 13.127 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.041 14.422 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.002 13.540 4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.614 11.899 3.818 1.00 0.00 H new ATOM 1135 N ARG A 74 4.271 12.592 2.643 1.00 0.00 N ATOM 1136 CA ARG A 74 3.028 13.035 2.034 1.00 0.00 C ATOM 1137 C ARG A 74 1.828 12.256 2.570 1.00 0.00 C ATOM 1138 O ARG A 74 0.703 12.753 2.556 1.00 0.00 O ATOM 1139 CB ARG A 74 3.130 12.902 0.513 1.00 0.00 C ATOM 1140 CG ARG A 74 3.383 11.484 0.035 1.00 0.00 C ATOM 1141 CD ARG A 74 4.388 11.449 -1.113 1.00 0.00 C ATOM 1142 NE ARG A 74 5.750 11.785 -0.676 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.651 12.404 -1.448 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.325 12.778 -2.676 1.00 0.00 N ATOM 1145 NH2 ARG A 74 7.874 12.659 -0.993 1.00 0.00 N ATOM 0 H ARG A 74 4.754 11.858 2.125 1.00 0.00 H new ATOM 0 HA ARG A 74 2.870 14.082 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.207 13.267 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.934 13.545 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.755 10.881 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.444 11.036 -0.289 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.388 10.456 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.075 12.149 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 74 6.025 11.531 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.387 12.594 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.012 13.250 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.134 12.382 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.552 13.131 -1.591 1.00 0.00 H new ATOM 1159 N PHE A 75 2.066 11.035 3.038 1.00 0.00 N ATOM 1160 CA PHE A 75 1.010 10.216 3.611 1.00 0.00 C ATOM 1161 C PHE A 75 0.800 10.550 5.087 1.00 0.00 C ATOM 1162 O PHE A 75 -0.170 10.106 5.699 1.00 0.00 O ATOM 1163 CB PHE A 75 1.359 8.736 3.475 1.00 0.00 C ATOM 1164 CG PHE A 75 1.826 8.336 2.103 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.014 8.510 0.997 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.077 7.770 1.927 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.443 8.130 -0.260 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.512 7.389 0.674 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.694 7.569 -0.420 1.00 0.00 C ATOM 0 H PHE A 75 2.985 10.592 3.030 1.00 0.00 H new ATOM 0 HA PHE A 75 0.089 10.427 3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.137 8.490 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.483 8.142 3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.034 8.948 1.117 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.721 7.625 2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.800 8.272 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.491 6.951 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.031 7.271 -1.402 1.00 0.00 H new ATOM 1179 N ASP A 76 1.719 11.332 5.646 1.00 0.00 N ATOM 1180 CA ASP A 76 1.700 11.680 7.069 1.00 0.00 C ATOM 1181 C ASP A 76 0.418 12.411 7.450 1.00 0.00 C ATOM 1182 O ASP A 76 -0.025 12.350 8.597 1.00 0.00 O ATOM 1183 CB ASP A 76 2.912 12.551 7.417 1.00 0.00 C ATOM 1184 CG ASP A 76 3.892 11.864 8.356 1.00 0.00 C ATOM 1185 OD1 ASP A 76 4.775 11.125 7.874 1.00 0.00 O ATOM 1186 OD2 ASP A 76 3.803 12.089 9.583 1.00 0.00 O ATOM 0 H ASP A 76 2.497 11.743 5.130 1.00 0.00 H new ATOM 0 HA ASP A 76 1.743 10.750 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.430 12.825 6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.566 13.477 7.877 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.172 13.103 6.488 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.418 13.802 6.735 1.00 0.00 C ATOM 1193 C GLY A 77 -2.598 13.107 6.089 1.00 0.00 C ATOM 1194 O GLY A 77 -3.638 13.722 5.840 1.00 0.00 O ATOM 0 H GLY A 77 0.189 13.194 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.585 13.876 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.344 14.820 6.353 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.439 11.820 5.819 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.478 11.031 5.175 1.00 0.00 C ATOM 1200 C LYS A 78 -3.848 9.838 6.047 1.00 0.00 C ATOM 1201 O LYS A 78 -3.262 9.635 7.110 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.002 10.554 3.798 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.766 11.689 2.812 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.120 11.198 1.524 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.978 10.173 0.795 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.284 10.738 0.351 1.00 0.00 N ATOM 0 H LYS A 78 -1.592 11.296 6.038 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.362 11.655 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.078 9.989 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.743 9.870 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.715 12.172 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.129 12.444 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.937 12.048 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.150 10.758 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.434 9.798 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.158 9.321 1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.742 10.077 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.898 10.884 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.124 11.648 -0.126 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.810 9.049 5.594 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.260 7.889 6.352 1.00 0.00 C ATOM 1222 C VAL A 79 -4.446 6.668 5.954 1.00 0.00 C ATOM 1223 O VAL A 79 -4.548 6.188 4.825 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.759 7.602 6.120 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.226 6.447 6.991 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.596 8.844 6.385 1.00 0.00 C ATOM 0 H VAL A 79 -5.294 9.189 4.707 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.116 8.108 7.410 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.891 7.320 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.285 6.261 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.654 5.552 6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.074 6.698 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.648 8.617 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.456 9.163 7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.284 9.643 5.713 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.623 6.179 6.869 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.754 5.055 6.566 1.00 0.00 C ATOM 1238 C VAL A 80 -3.079 3.854 7.449 1.00 0.00 C ATOM 1239 O VAL A 80 -3.731 3.982 8.485 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.254 5.416 6.727 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.953 6.796 6.157 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.818 5.316 8.179 1.00 0.00 C ATOM 0 H VAL A 80 -3.539 6.540 7.819 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.936 4.798 5.522 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.677 4.689 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.106 7.020 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.202 6.814 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.548 7.544 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.238 5.575 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.408 6.004 8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.970 4.297 8.535 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.622 2.690 7.015 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.770 1.462 7.775 1.00 0.00 C ATOM 1254 C LEU A 81 -1.513 0.615 7.580 1.00 0.00 C ATOM 1255 O LEU A 81 -1.200 0.200 6.462 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.041 0.714 7.323 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.519 -0.438 8.225 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.689 -1.690 8.004 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.475 -0.027 9.690 1.00 0.00 C ATOM 0 H LEU A 81 -2.138 2.571 6.125 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.883 1.679 8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.851 1.439 7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.864 0.314 6.324 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.551 -0.664 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.051 -2.486 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.775 -2.005 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.645 -1.479 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.817 -0.855 10.311 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.453 0.234 9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.124 0.835 9.846 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.773 0.399 8.660 1.00 0.00 N ATOM 1272 CA GLU A 82 0.487 -0.317 8.593 1.00 0.00 C ATOM 1273 C GLU A 82 0.310 -1.789 8.965 1.00 0.00 C ATOM 1274 O GLU A 82 -0.344 -2.119 9.957 1.00 0.00 O ATOM 1275 CB GLU A 82 1.503 0.338 9.530 1.00 0.00 C ATOM 1276 CG GLU A 82 1.742 1.815 9.243 1.00 0.00 C ATOM 1277 CD GLU A 82 2.792 2.427 10.151 1.00 0.00 C ATOM 1278 OE1 GLU A 82 2.513 2.608 11.355 1.00 0.00 O ATOM 1279 OE2 GLU A 82 3.900 2.741 9.666 1.00 0.00 O ATOM 0 H GLU A 82 -1.029 0.713 9.596 1.00 0.00 H new ATOM 0 HA GLU A 82 0.851 -0.270 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.158 0.229 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.451 -0.195 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.052 1.933 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.805 2.360 9.360 1.00 0.00 H new ATOM 1286 N VAL A 83 0.894 -2.661 8.156 1.00 0.00 N ATOM 1287 CA VAL A 83 0.858 -4.099 8.392 1.00 0.00 C ATOM 1288 C VAL A 83 2.213 -4.719 8.060 1.00 0.00 C ATOM 1289 O VAL A 83 3.042 -4.091 7.400 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.230 -4.803 7.544 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.620 -4.475 8.055 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.100 -4.431 6.074 1.00 0.00 C ATOM 0 H VAL A 83 1.407 -2.392 7.316 1.00 0.00 H new ATOM 0 HA VAL A 83 0.620 -4.242 9.446 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.079 -5.878 7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.363 -4.983 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.715 -4.807 9.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.782 -3.398 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.876 -4.938 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.211 -3.353 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.880 -4.735 5.707 1.00 0.00 H new ATOM 1302 N PRO A 84 2.469 -5.947 8.533 1.00 0.00 N ATOM 1303 CA PRO A 84 3.670 -6.700 8.158 1.00 0.00 C ATOM 1304 C PRO A 84 3.714 -6.953 6.653 1.00 0.00 C ATOM 1305 O PRO A 84 2.675 -7.143 6.023 1.00 0.00 O ATOM 1306 CB PRO A 84 3.524 -8.022 8.917 1.00 0.00 C ATOM 1307 CG PRO A 84 2.559 -7.732 10.015 1.00 0.00 C ATOM 1308 CD PRO A 84 1.624 -6.691 9.479 1.00 0.00 C ATOM 0 HA PRO A 84 4.588 -6.165 8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.154 -8.813 8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.483 -8.358 9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.016 -8.632 10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.076 -7.371 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.762 -7.138 8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.240 -6.047 10.270 1.00 0.00 H new ATOM 1316 N VAL A 85 4.913 -6.965 6.083 1.00 0.00 N ATOM 1317 CA VAL A 85 5.072 -7.122 4.639 1.00 0.00 C ATOM 1318 C VAL A 85 4.560 -8.488 4.162 1.00 0.00 C ATOM 1319 O VAL A 85 4.145 -8.644 3.016 1.00 0.00 O ATOM 1320 CB VAL A 85 6.551 -6.917 4.216 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.457 -7.965 4.843 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.688 -6.917 2.700 1.00 0.00 C ATOM 0 H VAL A 85 5.789 -6.868 6.596 1.00 0.00 H new ATOM 0 HA VAL A 85 4.468 -6.352 4.160 1.00 0.00 H new ATOM 0 HB VAL A 85 6.868 -5.942 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.486 -7.793 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.395 -7.897 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.140 -8.958 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.734 -6.772 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.340 -7.871 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.089 -6.109 2.281 1.00 0.00 H new ATOM 1332 N SER A 86 4.580 -9.467 5.052 1.00 0.00 N ATOM 1333 CA SER A 86 4.103 -10.806 4.737 1.00 0.00 C ATOM 1334 C SER A 86 2.570 -10.874 4.685 1.00 0.00 C ATOM 1335 O SER A 86 2.004 -11.786 4.082 1.00 0.00 O ATOM 1336 CB SER A 86 4.643 -11.786 5.775 1.00 0.00 C ATOM 1337 OG SER A 86 6.038 -11.593 5.956 1.00 0.00 O ATOM 0 H SER A 86 4.924 -9.359 6.006 1.00 0.00 H new ATOM 0 HA SER A 86 4.467 -11.074 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.124 -11.645 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.449 -12.810 5.454 1.00 0.00 H new ATOM 0 HG SER A 86 6.529 -12.104 5.279 1.00 0.00 H new ATOM 1343 N ALA A 87 1.909 -9.898 5.303 1.00 0.00 N ATOM 1344 CA ALA A 87 0.450 -9.911 5.430 1.00 0.00 C ATOM 1345 C ALA A 87 -0.266 -9.848 4.071 1.00 0.00 C ATOM 1346 O ALA A 87 -1.103 -10.705 3.785 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.021 -8.784 6.340 1.00 0.00 C ATOM 0 H ALA A 87 2.360 -9.086 5.725 1.00 0.00 H new ATOM 0 HA ALA A 87 0.182 -10.866 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.108 -8.812 6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.420 -8.907 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.287 -7.826 5.922 1.00 0.00 H new ATOM 1353 N PRO A 88 0.039 -8.851 3.202 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.642 -8.710 1.904 1.00 0.00 C ATOM 1355 C PRO A 88 -0.329 -9.851 0.939 1.00 0.00 C ATOM 1356 O PRO A 88 -0.907 -9.934 -0.141 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.110 -7.387 1.350 1.00 0.00 C ATOM 1358 CG PRO A 88 1.199 -7.193 2.029 1.00 0.00 C ATOM 1359 CD PRO A 88 1.042 -7.784 3.400 1.00 0.00 C ATOM 0 HA PRO A 88 -1.725 -8.733 2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.008 -7.430 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.793 -6.565 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.001 -7.687 1.480 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.456 -6.135 2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.984 -8.183 3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.701 -7.041 4.121 1.00 0.00 H new ATOM 1367 N ILE A 89 0.589 -10.724 1.327 1.00 0.00 N ATOM 1368 CA ILE A 89 0.916 -11.889 0.525 1.00 0.00 C ATOM 1369 C ILE A 89 -0.218 -12.906 0.590 1.00 0.00 C ATOM 1370 O ILE A 89 -0.694 -13.392 -0.438 1.00 0.00 O ATOM 1371 CB ILE A 89 2.233 -12.546 0.993 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.405 -11.581 0.780 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.471 -13.861 0.260 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.742 -12.125 1.240 1.00 0.00 C ATOM 0 H ILE A 89 1.120 -10.646 2.194 1.00 0.00 H new ATOM 0 HA ILE A 89 1.049 -11.557 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 89 2.155 -12.768 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.470 -11.333 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.199 -10.653 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.404 -14.306 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.646 -14.544 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.533 -13.674 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.519 -11.384 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.697 -12.346 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.973 -13.037 0.690 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.660 -13.213 1.799 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.712 -14.199 1.995 1.00 0.00 C ATOM 1388 C LYS A 90 -3.080 -13.540 2.130 1.00 0.00 C ATOM 1389 O LYS A 90 -4.066 -14.021 1.572 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.433 -15.036 3.246 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.160 -15.862 3.170 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.215 -16.872 2.037 1.00 0.00 C ATOM 1393 CE LYS A 90 0.950 -17.845 2.106 1.00 0.00 C ATOM 1394 NZ LYS A 90 0.946 -18.613 3.377 1.00 0.00 N ATOM 0 H LYS A 90 -0.307 -12.794 2.659 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.721 -14.842 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.371 -14.372 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.277 -15.704 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.695 -15.201 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.007 -16.383 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.154 -17.423 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.199 -16.350 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.899 -18.535 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.888 -17.298 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.093 -19.622 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.711 -18.269 3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.032 -18.486 3.857 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.128 -12.429 2.848 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.396 -11.869 3.302 1.00 0.00 C ATOM 1410 C ASP A 91 -4.567 -10.432 2.818 1.00 0.00 C ATOM 1411 O ASP A 91 -5.063 -9.566 3.541 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.435 -11.931 4.830 1.00 0.00 C ATOM 1413 CG ASP A 91 -5.819 -11.729 5.409 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -6.815 -11.955 4.691 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -5.910 -11.375 6.604 1.00 0.00 O ATOM 0 H ASP A 91 -2.305 -11.896 3.130 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.219 -12.450 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.051 -12.898 5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.767 -11.170 5.233 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.171 -10.198 1.572 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.223 -8.866 0.970 1.00 0.00 C ATOM 1422 C ALA A 92 -5.616 -8.250 1.053 1.00 0.00 C ATOM 1423 O ALA A 92 -5.763 -7.066 1.350 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.777 -8.931 -0.482 1.00 0.00 C ATOM 0 H ALA A 92 -3.806 -10.921 0.951 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.545 -8.228 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.820 -7.934 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.755 -9.306 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.436 -9.599 -1.036 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.633 -9.064 0.806 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.004 -8.577 0.736 1.00 0.00 C ATOM 1432 C GLU A 93 -8.473 -8.012 2.073 1.00 0.00 C ATOM 1433 O GLU A 93 -9.126 -6.969 2.115 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.941 -9.693 0.271 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.651 -10.172 -1.143 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.584 -11.275 -1.589 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -10.775 -10.991 -1.823 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.132 -12.433 -1.706 1.00 0.00 O ATOM 0 H GLU A 93 -6.534 -10.067 0.650 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.029 -7.765 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.859 -10.536 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.971 -9.339 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.734 -9.331 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.622 -10.528 -1.198 1.00 0.00 H new ATOM 1445 N LYS A 94 -8.130 -8.679 3.167 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.552 -8.219 4.482 1.00 0.00 C ATOM 1447 C LYS A 94 -7.831 -6.928 4.841 1.00 0.00 C ATOM 1448 O LYS A 94 -8.410 -6.034 5.453 1.00 0.00 O ATOM 1449 CB LYS A 94 -8.288 -9.285 5.543 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.924 -8.975 6.889 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.492 -9.967 7.955 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.834 -11.399 7.568 1.00 0.00 C ATOM 1453 NZ LYS A 94 -8.257 -12.378 8.523 1.00 0.00 N ATOM 0 H LYS A 94 -7.568 -9.530 3.171 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.625 -8.029 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.664 -10.243 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.212 -9.395 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.650 -7.966 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.009 -8.994 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.418 -9.881 8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.977 -9.720 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.917 -11.518 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.459 -11.604 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.511 -13.342 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.222 -12.281 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.634 -12.198 9.475 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.572 -6.832 4.429 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.780 -5.628 4.652 1.00 0.00 C ATOM 1469 C VAL A 95 -6.421 -4.430 3.947 1.00 0.00 C ATOM 1470 O VAL A 95 -6.524 -3.341 4.515 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.330 -5.807 4.148 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.507 -4.553 4.397 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.673 -7.011 4.810 1.00 0.00 C ATOM 0 H VAL A 95 -6.077 -7.576 3.937 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.753 -5.446 5.726 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.370 -5.981 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.491 -4.706 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.958 -3.711 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.481 -4.341 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.653 -7.118 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.654 -6.867 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.241 -7.911 4.574 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.866 -4.651 2.714 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.540 -3.615 1.941 1.00 0.00 C ATOM 1485 C ILE A 96 -8.842 -3.190 2.621 1.00 0.00 C ATOM 1486 O ILE A 96 -9.104 -1.997 2.789 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.837 -4.097 0.501 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.527 -4.390 -0.236 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.651 -3.054 -0.257 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.721 -4.964 -1.624 1.00 0.00 C ATOM 0 H ILE A 96 -6.771 -5.542 2.228 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.870 -2.757 1.890 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.423 -5.015 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.950 -3.469 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.936 -5.089 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.850 -3.411 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.595 -2.884 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.091 -2.120 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.749 -5.145 -2.082 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.270 -5.903 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.284 -4.258 -2.234 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.640 -4.172 3.030 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.906 -3.903 3.716 1.00 0.00 C ATOM 1504 C ASN A 97 -10.669 -3.156 5.026 1.00 0.00 C ATOM 1505 O ASN A 97 -11.422 -2.248 5.376 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.667 -5.206 3.989 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.430 -5.713 2.776 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.600 -5.388 2.583 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.779 -6.517 1.951 1.00 0.00 N ATOM 0 H ASN A 97 -9.435 -5.163 2.900 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.510 -3.275 3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.962 -5.971 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.366 -5.047 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.248 -6.888 1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.808 -6.766 2.142 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.608 -3.529 5.735 1.00 0.00 N ATOM 1517 CA ALA A 98 -9.261 -2.887 6.997 1.00 0.00 C ATOM 1518 C ALA A 98 -9.030 -1.389 6.802 1.00 0.00 C ATOM 1519 O ALA A 98 -9.452 -0.573 7.622 1.00 0.00 O ATOM 1520 CB ALA A 98 -8.027 -3.541 7.603 1.00 0.00 C ATOM 0 H ALA A 98 -8.972 -4.276 5.455 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.097 -3.014 7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.781 -3.051 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.227 -4.597 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.188 -3.445 6.913 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.377 -1.037 5.699 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.098 0.356 5.380 1.00 0.00 C ATOM 1528 C ALA A 99 -9.386 1.098 5.033 1.00 0.00 C ATOM 1529 O ALA A 99 -9.583 2.246 5.429 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.101 0.443 4.232 1.00 0.00 C ATOM 0 H ALA A 99 -8.030 -1.703 5.008 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.660 0.832 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.900 1.490 4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.172 -0.050 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.516 -0.048 3.352 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.271 0.424 4.308 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.551 1.011 3.916 1.00 0.00 C ATOM 1538 C LEU A 100 -12.437 1.243 5.137 1.00 0.00 C ATOM 1539 O LEU A 100 -13.225 2.193 5.180 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.270 0.103 2.916 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.520 -0.153 1.608 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.300 -1.116 0.728 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.259 1.157 0.874 1.00 0.00 C ATOM 0 H LEU A 100 -10.127 -0.531 3.978 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.352 1.973 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.466 -0.855 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.238 0.545 2.680 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.558 -0.608 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.752 -1.287 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.431 -2.063 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.277 -0.690 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.725 0.954 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.208 1.642 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.657 1.813 1.503 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.290 0.380 6.131 1.00 0.00 N ATOM 1556 CA ALA A 101 -13.055 0.487 7.365 1.00 0.00 C ATOM 1557 C ALA A 101 -12.631 1.706 8.181 1.00 0.00 C ATOM 1558 O ALA A 101 -13.359 2.153 9.064 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.906 -0.781 8.192 1.00 0.00 C ATOM 0 H ALA A 101 -11.643 -0.408 6.106 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.104 0.614 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.484 -0.686 9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.272 -1.634 7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.855 -0.934 8.438 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.458 2.247 7.877 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.954 3.415 8.590 1.00 0.00 C ATOM 1567 C LEU A 102 -11.536 4.704 8.017 1.00 0.00 C ATOM 1568 O LEU A 102 -11.634 5.714 8.714 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.425 3.466 8.524 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.703 2.277 9.155 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.199 2.449 9.036 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -9.108 2.116 10.614 1.00 0.00 C ATOM 0 H LEU A 102 -10.840 1.898 7.145 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.265 3.327 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.125 3.538 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.087 4.378 9.016 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.993 1.373 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.698 1.594 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.922 2.515 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.895 3.362 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.583 1.264 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.848 3.020 11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.183 1.949 10.677 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.922 4.672 6.747 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.436 5.869 6.089 1.00 0.00 C ATOM 1586 C ILE A 103 -13.960 5.859 5.980 1.00 0.00 C ATOM 1587 O ILE A 103 -14.614 6.856 6.283 1.00 0.00 O ATOM 1588 CB ILE A 103 -11.824 6.068 4.682 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -11.971 4.800 3.833 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.364 6.476 4.798 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.539 4.977 2.394 1.00 0.00 C ATOM 0 H ILE A 103 -11.890 3.841 6.157 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.137 6.704 6.723 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.369 6.867 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.382 4.001 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.012 4.479 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.944 6.613 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.290 7.410 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.809 5.697 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -11.672 4.038 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.145 5.753 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.489 5.268 2.362 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.523 4.737 5.556 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.958 4.659 5.304 1.00 0.00 C ATOM 1605 C ASP A 104 -16.621 3.642 6.219 1.00 0.00 C ATOM 1606 O ASP A 104 -17.841 3.644 6.387 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.205 4.272 3.846 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.669 4.338 3.462 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.137 5.427 3.086 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.354 3.296 3.511 1.00 0.00 O ATOM 0 H ASP A 104 -14.013 3.871 5.379 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.393 5.638 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.633 4.935 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.834 3.261 3.675 1.00 0.00 H new ATOM 1615 N GLU A 105 -15.798 2.786 6.818 1.00 0.00 N ATOM 1616 CA GLU A 105 -16.280 1.675 7.632 1.00 0.00 C ATOM 1617 C GLU A 105 -17.049 0.673 6.779 1.00 0.00 C ATOM 1618 O GLU A 105 -18.200 0.346 7.070 1.00 0.00 O ATOM 1619 CB GLU A 105 -17.155 2.147 8.797 1.00 0.00 C ATOM 1620 CG GLU A 105 -16.394 2.883 9.884 1.00 0.00 C ATOM 1621 CD GLU A 105 -17.210 3.034 11.149 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -17.469 2.010 11.812 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -17.611 4.170 11.479 1.00 0.00 O ATOM 0 H GLU A 105 -14.782 2.843 6.753 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.400 1.189 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -17.936 2.801 8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.652 1.283 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.473 2.344 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.105 3.869 9.520 1.00 0.00 H new ATOM 1630 N LYS A 106 -16.414 0.208 5.713 1.00 0.00 N ATOM 1631 CA LYS A 106 -16.972 -0.868 4.912 1.00 0.00 C ATOM 1632 C LYS A 106 -16.369 -2.197 5.348 1.00 0.00 C ATOM 1633 O LYS A 106 -15.402 -2.647 4.712 1.00 0.00 O ATOM 1634 CB LYS A 106 -16.723 -0.640 3.416 1.00 0.00 C ATOM 1635 CG LYS A 106 -17.680 0.355 2.774 1.00 0.00 C ATOM 1636 CD LYS A 106 -17.466 0.441 1.268 1.00 0.00 C ATOM 1637 CE LYS A 106 -18.590 1.200 0.572 1.00 0.00 C ATOM 1638 NZ LYS A 106 -18.624 2.639 0.939 1.00 0.00 N ATOM 1639 OXT LYS A 106 -16.848 -2.759 6.356 1.00 0.00 O ATOM 0 H LYS A 106 -15.514 0.559 5.384 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.050 -0.887 5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.701 -0.287 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -16.804 -1.594 2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -18.708 0.058 2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -17.537 1.339 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.516 0.935 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -17.398 -0.565 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.471 1.107 -0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -19.545 0.741 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.385 3.114 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.799 2.733 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.712 3.079 0.702 1.00 0.00 H new TER 1653 LYS A 106