USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 hydrogens (19 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 NoAdj-H: B 9 M3L H2 : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Set 1.1: B 1 ALA N :NH3+ -174:sc= -0.554 (180deg=-0.573) USER MOD Set 1.2: B 3 THR OG1 : rot 147:sc= 0.219 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0431 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.43) USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0.397 (180deg=0.337) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.0672 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 1 (180deg=0.979) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= -0.967 (180deg=-1.26) USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.0039 USER MOD Single : A 32 ASN : amide:sc= -0.726 X(o=-0.73,f=-0.52) USER MOD Single : A 33 THR OG1 : rot 116:sc= 0.55 USER MOD Single : A 39 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.5!) USER MOD Single : A 42 CYS SG : rot 64:sc= -6.03! USER MOD Single : A 51 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.75) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.806 F(o=-3.3!,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ -167:sc= 0.592 (180deg=0.489) USER MOD Single : B 5 GLN :FLIP amide:sc= -4.15! C(o=-5.1!,f=-4.1!) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.005 2.033 2.968 1.00 0.00 N ATOM 2 CA GLY A 1 3.642 0.974 2.164 1.00 0.00 C ATOM 3 C GLY A 1 4.955 1.444 1.559 1.00 0.00 C ATOM 4 O GLY A 1 5.619 2.325 2.113 1.00 0.00 O ATOM 0 H1 GLY A 1 2.639 1.625 3.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.706 2.769 3.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.221 2.453 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.821 0.100 2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.965 0.663 1.368 1.00 0.00 H new ATOM 10 N GLU A 2 5.327 0.846 0.420 1.00 0.00 N ATOM 11 CA GLU A 2 6.540 1.196 -0.331 1.00 0.00 C ATOM 12 C GLU A 2 6.193 2.271 -1.363 1.00 0.00 C ATOM 13 O GLU A 2 5.074 2.281 -1.904 1.00 0.00 O ATOM 14 CB GLU A 2 7.145 -0.055 -1.033 1.00 0.00 C ATOM 15 CG GLU A 2 7.621 -1.188 -0.087 1.00 0.00 C ATOM 16 CD GLU A 2 6.497 -1.918 0.680 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.719 -2.659 0.040 1.00 0.00 O ATOM 18 OE2 GLU A 2 6.373 -1.745 1.917 1.00 0.00 O ATOM 0 H GLU A 2 4.787 0.096 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 2 7.289 1.579 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.399 -0.464 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.991 0.265 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.174 -1.921 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.319 -0.767 0.637 1.00 0.00 H new ATOM 25 N PHE A 3 7.153 3.161 -1.635 1.00 0.00 N ATOM 26 CA PHE A 3 6.982 4.274 -2.581 1.00 0.00 C ATOM 27 C PHE A 3 8.319 4.547 -3.297 1.00 0.00 C ATOM 28 O PHE A 3 9.391 4.196 -2.783 1.00 0.00 O ATOM 29 CB PHE A 3 6.462 5.540 -1.830 1.00 0.00 C ATOM 30 CG PHE A 3 5.891 6.622 -2.747 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.561 6.568 -3.161 1.00 0.00 C ATOM 32 CD2 PHE A 3 6.682 7.671 -3.214 1.00 0.00 C ATOM 33 CE1 PHE A 3 4.040 7.529 -4.009 1.00 0.00 C ATOM 34 CE2 PHE A 3 6.164 8.623 -4.063 1.00 0.00 C ATOM 35 CZ PHE A 3 4.842 8.554 -4.460 1.00 0.00 C ATOM 0 H PHE A 3 8.077 3.131 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 3 6.239 4.010 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.692 5.237 -1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.280 5.966 -1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.928 5.764 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 3 7.715 7.738 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 3 3.006 7.476 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.792 9.426 -4.420 1.00 0.00 H new ATOM 0 HZ PHE A 3 4.438 9.304 -5.124 1.00 0.00 H new ATOM 45 N VAL A 4 8.238 5.142 -4.504 1.00 0.00 N ATOM 46 CA VAL A 4 9.414 5.503 -5.314 1.00 0.00 C ATOM 47 C VAL A 4 10.184 6.692 -4.710 1.00 0.00 C ATOM 48 O VAL A 4 9.693 7.828 -4.675 1.00 0.00 O ATOM 49 CB VAL A 4 9.046 5.803 -6.827 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.757 4.495 -7.600 1.00 0.00 C ATOM 51 CG2 VAL A 4 7.848 6.782 -6.945 1.00 0.00 C ATOM 0 H VAL A 4 7.351 5.386 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 4 10.063 4.627 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 4 9.913 6.285 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.508 4.731 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.640 3.856 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.920 3.975 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.627 6.962 -7.997 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.974 6.347 -6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.100 7.725 -6.461 1.00 0.00 H new ATOM 61 N VAL A 5 11.376 6.396 -4.186 1.00 0.00 N ATOM 62 CA VAL A 5 12.381 7.419 -3.857 1.00 0.00 C ATOM 63 C VAL A 5 13.197 7.731 -5.122 1.00 0.00 C ATOM 64 O VAL A 5 13.537 6.824 -5.885 1.00 0.00 O ATOM 65 CB VAL A 5 13.320 6.976 -2.669 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.914 5.566 -2.885 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.446 8.014 -2.414 1.00 0.00 C ATOM 0 H VAL A 5 11.675 5.443 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 5 11.866 8.317 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 5 12.692 6.931 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.553 5.307 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.106 4.839 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.503 5.556 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.073 7.676 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.054 8.119 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.003 8.977 -2.161 1.00 0.00 H new ATOM 77 N GLU A 6 13.460 9.023 -5.349 1.00 0.00 N ATOM 78 CA GLU A 6 14.267 9.492 -6.482 1.00 0.00 C ATOM 79 C GLU A 6 15.760 9.252 -6.209 1.00 0.00 C ATOM 80 O GLU A 6 16.442 8.602 -7.014 1.00 0.00 O ATOM 81 CB GLU A 6 13.976 10.992 -6.757 1.00 0.00 C ATOM 82 CG GLU A 6 14.622 11.545 -8.036 1.00 0.00 C ATOM 83 CD GLU A 6 14.075 12.922 -8.441 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.052 12.974 -9.160 1.00 0.00 O ATOM 85 OE2 GLU A 6 14.654 13.951 -8.049 1.00 0.00 O ATOM 0 H GLU A 6 13.118 9.775 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 6 13.996 8.926 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.897 11.134 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.325 11.578 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.700 11.618 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.458 10.841 -8.852 1.00 0.00 H new ATOM 92 N LYS A 7 16.255 9.772 -5.060 1.00 0.00 N ATOM 93 CA LYS A 7 17.658 9.587 -4.631 1.00 0.00 C ATOM 94 C LYS A 7 17.837 9.838 -3.122 1.00 0.00 C ATOM 95 O LYS A 7 16.965 10.416 -2.462 1.00 0.00 O ATOM 96 CB LYS A 7 18.628 10.500 -5.430 1.00 0.00 C ATOM 97 CG LYS A 7 18.443 12.025 -5.209 1.00 0.00 C ATOM 98 CD LYS A 7 19.639 12.844 -5.758 1.00 0.00 C ATOM 99 CE LYS A 7 20.964 12.527 -5.026 1.00 0.00 C ATOM 100 NZ LYS A 7 22.132 13.199 -5.644 1.00 0.00 N ATOM 0 H LYS A 7 15.697 10.326 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 7 17.905 8.546 -4.839 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.651 10.233 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.508 10.287 -6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.525 12.353 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.326 12.225 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.758 12.638 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.421 13.908 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.882 12.835 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.127 11.449 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.993 12.953 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.230 12.886 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.993 14.229 -5.619 1.00 0.00 H new ATOM 114 N VAL A 8 18.993 9.389 -2.605 1.00 0.00 N ATOM 115 CA VAL A 8 19.453 9.665 -1.232 1.00 0.00 C ATOM 116 C VAL A 8 20.217 10.999 -1.202 1.00 0.00 C ATOM 117 O VAL A 8 21.068 11.252 -2.057 1.00 0.00 O ATOM 118 CB VAL A 8 20.391 8.515 -0.705 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.976 8.848 0.692 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.654 7.150 -0.690 1.00 0.00 C ATOM 0 H VAL A 8 19.646 8.814 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 8 18.578 9.721 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 8 21.227 8.436 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.618 8.031 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.560 9.767 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.162 8.981 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.328 6.377 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.783 7.214 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.332 6.899 -1.701 1.00 0.00 H new ATOM 130 N LEU A 9 19.911 11.838 -0.199 1.00 0.00 N ATOM 131 CA LEU A 9 20.565 13.146 -0.003 1.00 0.00 C ATOM 132 C LEU A 9 21.623 13.069 1.113 1.00 0.00 C ATOM 133 O LEU A 9 22.701 13.663 0.991 1.00 0.00 O ATOM 134 CB LEU A 9 19.518 14.245 0.329 1.00 0.00 C ATOM 135 CG LEU A 9 18.428 14.525 -0.758 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.462 15.644 -0.301 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.065 14.860 -2.131 1.00 0.00 C ATOM 0 H LEU A 9 19.201 11.629 0.502 1.00 0.00 H new ATOM 0 HA LEU A 9 21.063 13.411 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.013 13.966 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 20.051 15.175 0.525 1.00 0.00 H new ATOM 0 HG LEU A 9 17.847 13.611 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.715 15.818 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.966 15.342 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.024 16.561 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.278 15.049 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.691 15.747 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.675 14.020 -2.464 1.00 0.00 H new ATOM 149 N ASP A 10 21.314 12.321 2.194 1.00 0.00 N ATOM 150 CA ASP A 10 22.163 12.286 3.407 1.00 0.00 C ATOM 151 C ASP A 10 22.063 10.913 4.103 1.00 0.00 C ATOM 152 O ASP A 10 21.179 10.115 3.789 1.00 0.00 O ATOM 153 CB ASP A 10 21.770 13.440 4.374 1.00 0.00 C ATOM 154 CG ASP A 10 22.852 13.734 5.428 1.00 0.00 C ATOM 155 OD1 ASP A 10 23.825 14.446 5.098 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.760 13.234 6.566 1.00 0.00 O ATOM 0 H ASP A 10 20.483 11.733 2.252 1.00 0.00 H new ATOM 0 HA ASP A 10 23.202 12.432 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.580 14.343 3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.839 13.183 4.879 1.00 0.00 H new ATOM 161 N ARG A 11 23.002 10.646 5.027 1.00 0.00 N ATOM 162 CA ARG A 11 23.093 9.379 5.777 1.00 0.00 C ATOM 163 C ARG A 11 23.291 9.691 7.277 1.00 0.00 C ATOM 164 O ARG A 11 23.984 10.656 7.618 1.00 0.00 O ATOM 165 CB ARG A 11 24.289 8.560 5.225 1.00 0.00 C ATOM 166 CG ARG A 11 24.419 7.122 5.766 1.00 0.00 C ATOM 167 CD ARG A 11 25.657 6.391 5.205 1.00 0.00 C ATOM 168 NE ARG A 11 25.645 4.948 5.526 1.00 0.00 N ATOM 169 CZ ARG A 11 26.705 4.209 5.892 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.904 4.756 6.038 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.553 2.913 6.114 1.00 0.00 N ATOM 0 H ARG A 11 23.731 11.314 5.278 1.00 0.00 H new ATOM 0 HA ARG A 11 22.179 8.797 5.661 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.204 8.514 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.210 9.098 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.479 7.150 6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.521 6.558 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.695 6.521 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.561 6.845 5.612 1.00 0.00 H new ATOM 0 HE ARG A 11 24.747 4.468 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 11 28.033 5.754 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.697 4.179 6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.635 2.481 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.354 2.346 6.392 1.00 0.00 H new ATOM 185 N ARG A 12 22.692 8.869 8.158 1.00 0.00 N ATOM 186 CA ARG A 12 22.833 8.993 9.628 1.00 0.00 C ATOM 187 C ARG A 12 22.698 7.607 10.280 1.00 0.00 C ATOM 188 O ARG A 12 22.361 6.628 9.609 1.00 0.00 O ATOM 189 CB ARG A 12 21.776 9.975 10.227 1.00 0.00 C ATOM 190 CG ARG A 12 20.336 9.415 10.349 1.00 0.00 C ATOM 191 CD ARG A 12 19.351 10.448 10.923 1.00 0.00 C ATOM 192 NE ARG A 12 17.993 9.892 11.086 1.00 0.00 N ATOM 193 CZ ARG A 12 16.882 10.620 11.279 1.00 0.00 C ATOM 194 NH1 ARG A 12 16.927 11.952 11.292 1.00 0.00 N ATOM 195 NH2 ARG A 12 15.720 10.007 11.434 1.00 0.00 N ATOM 0 H ARG A 12 22.092 8.095 7.873 1.00 0.00 H new ATOM 0 HA ARG A 12 23.821 9.403 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.112 10.283 11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.747 10.871 9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.990 9.094 9.367 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.345 8.532 10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.716 10.799 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 12 19.310 11.315 10.263 1.00 0.00 H new ATOM 0 HE ARG A 12 17.891 8.878 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.815 12.434 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.073 12.490 11.440 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.673 8.988 11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.871 10.553 11.581 1.00 0.00 H new ATOM 209 N VAL A 13 22.961 7.545 11.595 1.00 0.00 N ATOM 210 CA VAL A 13 22.791 6.337 12.419 1.00 0.00 C ATOM 211 C VAL A 13 21.926 6.684 13.643 1.00 0.00 C ATOM 212 O VAL A 13 22.278 7.577 14.417 1.00 0.00 O ATOM 213 CB VAL A 13 24.179 5.737 12.874 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.005 4.548 13.862 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.022 5.307 11.646 1.00 0.00 C ATOM 0 H VAL A 13 23.304 8.346 12.125 1.00 0.00 H new ATOM 0 HA VAL A 13 22.296 5.574 11.819 1.00 0.00 H new ATOM 0 HB VAL A 13 24.712 6.526 13.405 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.985 4.166 14.148 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.474 4.888 14.751 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.434 3.755 13.380 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.974 4.897 11.984 1.00 0.00 H new ATOM 0 HG22 VAL A 13 24.480 4.549 11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.205 6.173 11.009 1.00 0.00 H new ATOM 225 N VAL A 14 20.789 5.979 13.803 1.00 0.00 N ATOM 226 CA VAL A 14 19.854 6.167 14.932 1.00 0.00 C ATOM 227 C VAL A 14 19.561 4.792 15.558 1.00 0.00 C ATOM 228 O VAL A 14 19.193 3.857 14.848 1.00 0.00 O ATOM 229 CB VAL A 14 18.507 6.865 14.475 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.459 6.921 15.616 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.771 8.288 13.926 1.00 0.00 C ATOM 0 H VAL A 14 20.490 5.257 13.147 1.00 0.00 H new ATOM 0 HA VAL A 14 20.318 6.826 15.666 1.00 0.00 H new ATOM 0 HB VAL A 14 18.095 6.250 13.675 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.553 7.408 15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.221 5.908 15.942 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.865 7.486 16.455 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.828 8.741 13.621 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.232 8.898 14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.440 8.228 13.067 1.00 0.00 H new ATOM 241 N ASN A 15 19.781 4.681 16.888 1.00 0.00 N ATOM 242 CA ASN A 15 19.474 3.469 17.692 1.00 0.00 C ATOM 243 C ASN A 15 20.320 2.248 17.261 1.00 0.00 C ATOM 244 O ASN A 15 19.963 1.104 17.561 1.00 0.00 O ATOM 245 CB ASN A 15 17.946 3.148 17.643 1.00 0.00 C ATOM 246 CG ASN A 15 17.065 4.280 18.182 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.454 5.025 19.082 1.00 0.00 O ATOM 248 ND2 ASN A 15 15.876 4.434 17.622 1.00 0.00 N ATOM 0 H ASN A 15 20.181 5.438 17.442 1.00 0.00 H new ATOM 0 HA ASN A 15 19.747 3.687 18.725 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.661 2.936 16.613 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.754 2.243 18.220 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.258 5.183 17.934 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.577 3.803 16.878 1.00 0.00 H new ATOM 255 N GLY A 16 21.450 2.506 16.572 1.00 0.00 N ATOM 256 CA GLY A 16 22.342 1.440 16.087 1.00 0.00 C ATOM 257 C GLY A 16 22.139 1.082 14.613 1.00 0.00 C ATOM 258 O GLY A 16 22.968 0.374 14.030 1.00 0.00 O ATOM 0 H GLY A 16 21.765 3.448 16.340 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.376 1.750 16.236 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.187 0.547 16.692 1.00 0.00 H new ATOM 262 N LYS A 17 21.034 1.557 14.006 1.00 0.00 N ATOM 263 CA LYS A 17 20.728 1.304 12.578 1.00 0.00 C ATOM 264 C LYS A 17 21.154 2.516 11.742 1.00 0.00 C ATOM 265 O LYS A 17 21.359 3.598 12.283 1.00 0.00 O ATOM 266 CB LYS A 17 19.213 1.027 12.378 1.00 0.00 C ATOM 267 CG LYS A 17 18.318 2.286 12.247 1.00 0.00 C ATOM 268 CD LYS A 17 16.823 1.937 12.129 1.00 0.00 C ATOM 269 CE LYS A 17 16.305 1.115 13.315 1.00 0.00 C ATOM 270 NZ LYS A 17 14.891 0.714 13.128 1.00 0.00 N ATOM 0 H LYS A 17 20.332 2.122 14.484 1.00 0.00 H new ATOM 0 HA LYS A 17 21.281 0.423 12.252 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.087 0.418 11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 17 18.855 0.434 13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.471 2.928 13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.625 2.856 11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.245 2.858 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.657 1.379 11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.922 0.225 13.438 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.400 1.698 14.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.540 0.264 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.317 1.555 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.823 0.041 12.338 1.00 0.00 H new ATOM 284 N VAL A 18 21.230 2.340 10.418 1.00 0.00 N ATOM 285 CA VAL A 18 21.603 3.417 9.482 1.00 0.00 C ATOM 286 C VAL A 18 20.364 3.865 8.687 1.00 0.00 C ATOM 287 O VAL A 18 19.753 3.063 7.978 1.00 0.00 O ATOM 288 CB VAL A 18 22.732 2.962 8.496 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.155 4.106 7.548 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.952 2.392 9.261 1.00 0.00 C ATOM 0 H VAL A 18 21.036 1.449 9.961 1.00 0.00 H new ATOM 0 HA VAL A 18 21.989 4.252 10.067 1.00 0.00 H new ATOM 0 HB VAL A 18 22.321 2.162 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.940 3.753 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.295 4.428 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.529 4.945 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.718 2.085 8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.357 3.158 9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.641 1.531 9.852 1.00 0.00 H new ATOM 300 N GLU A 19 19.991 5.150 8.822 1.00 0.00 N ATOM 301 CA GLU A 19 18.849 5.743 8.104 1.00 0.00 C ATOM 302 C GLU A 19 19.346 6.737 7.047 1.00 0.00 C ATOM 303 O GLU A 19 20.279 7.503 7.298 1.00 0.00 O ATOM 304 CB GLU A 19 17.882 6.439 9.097 1.00 0.00 C ATOM 305 CG GLU A 19 17.420 5.544 10.266 1.00 0.00 C ATOM 306 CD GLU A 19 16.266 6.149 11.077 1.00 0.00 C ATOM 307 OE1 GLU A 19 16.451 7.245 11.637 1.00 0.00 O ATOM 308 OE2 GLU A 19 15.171 5.538 11.154 1.00 0.00 O ATOM 0 H GLU A 19 20.474 5.808 9.434 1.00 0.00 H new ATOM 0 HA GLU A 19 18.303 4.945 7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.372 7.324 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.005 6.784 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.109 4.576 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.265 5.362 10.930 1.00 0.00 H new ATOM 315 N TYR A 20 18.717 6.716 5.866 1.00 0.00 N ATOM 316 CA TYR A 20 19.063 7.600 4.742 1.00 0.00 C ATOM 317 C TYR A 20 17.930 8.609 4.495 1.00 0.00 C ATOM 318 O TYR A 20 16.746 8.264 4.594 1.00 0.00 O ATOM 319 CB TYR A 20 19.321 6.775 3.456 1.00 0.00 C ATOM 320 CG TYR A 20 20.528 5.817 3.542 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.446 4.593 4.219 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.752 6.144 2.954 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.534 3.746 4.295 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.835 5.301 3.031 1.00 0.00 C ATOM 325 CZ TYR A 20 22.723 4.107 3.702 1.00 0.00 C ATOM 326 OH TYR A 20 23.813 3.276 3.787 1.00 0.00 O ATOM 0 H TYR A 20 17.947 6.080 5.660 1.00 0.00 H new ATOM 0 HA TYR A 20 19.975 8.140 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.428 6.194 3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.477 7.462 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.517 4.307 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.850 7.081 2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.453 2.804 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.770 5.576 2.566 1.00 0.00 H new ATOM 0 HH TYR A 20 24.570 3.680 3.314 1.00 0.00 H new ATOM 336 N PHE A 21 18.313 9.854 4.183 1.00 0.00 N ATOM 337 CA PHE A 21 17.379 10.935 3.858 1.00 0.00 C ATOM 338 C PHE A 21 16.917 10.761 2.415 1.00 0.00 C ATOM 339 O PHE A 21 17.692 10.964 1.480 1.00 0.00 O ATOM 340 CB PHE A 21 18.080 12.303 4.065 1.00 0.00 C ATOM 341 CG PHE A 21 17.174 13.528 4.009 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.891 13.501 4.557 1.00 0.00 C ATOM 343 CD2 PHE A 21 17.619 14.719 3.443 1.00 0.00 C ATOM 344 CE1 PHE A 21 15.089 14.621 4.530 1.00 0.00 C ATOM 345 CE2 PHE A 21 16.812 15.835 3.414 1.00 0.00 C ATOM 346 CZ PHE A 21 15.549 15.787 3.960 1.00 0.00 C ATOM 0 H PHE A 21 19.291 10.140 4.149 1.00 0.00 H new ATOM 0 HA PHE A 21 16.508 10.902 4.512 1.00 0.00 H new ATOM 0 HB2 PHE A 21 18.582 12.290 5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.854 12.412 3.305 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.522 12.591 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 21 18.612 14.769 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.098 14.584 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 21 17.170 16.748 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.919 16.664 3.941 1.00 0.00 H new ATOM 356 N LEU A 22 15.664 10.355 2.250 1.00 0.00 N ATOM 357 CA LEU A 22 15.096 10.035 0.947 1.00 0.00 C ATOM 358 C LEU A 22 14.356 11.228 0.376 1.00 0.00 C ATOM 359 O LEU A 22 13.401 11.713 0.993 1.00 0.00 O ATOM 360 CB LEU A 22 14.109 8.862 1.054 1.00 0.00 C ATOM 361 CG LEU A 22 14.662 7.515 1.594 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.634 6.408 1.341 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.045 7.152 0.998 1.00 0.00 C ATOM 0 H LEU A 22 15.009 10.238 3.023 1.00 0.00 H new ATOM 0 HA LEU A 22 15.923 9.763 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.286 9.171 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.690 8.682 0.064 1.00 0.00 H new ATOM 0 HG LEU A 22 14.823 7.622 2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.019 5.461 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.703 6.652 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.447 6.323 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.381 6.201 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.963 7.068 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.765 7.931 1.248 1.00 0.00 H new ATOM 375 N LYS A 23 14.794 11.688 -0.795 1.00 0.00 N ATOM 376 CA LYS A 23 14.029 12.626 -1.612 1.00 0.00 C ATOM 377 C LYS A 23 13.174 11.788 -2.578 1.00 0.00 C ATOM 378 O LYS A 23 13.719 11.126 -3.460 1.00 0.00 O ATOM 379 CB LYS A 23 14.975 13.613 -2.373 1.00 0.00 C ATOM 380 CG LYS A 23 14.357 15.007 -2.658 1.00 0.00 C ATOM 381 CD LYS A 23 13.141 14.987 -3.613 1.00 0.00 C ATOM 382 CE LYS A 23 13.510 14.615 -5.056 1.00 0.00 C ATOM 383 NZ LYS A 23 12.369 14.800 -5.990 1.00 0.00 N ATOM 0 H LYS A 23 15.690 11.420 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 23 13.387 13.250 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.886 13.746 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.267 13.159 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.053 15.456 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.126 15.651 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.405 14.276 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.667 15.969 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.350 15.227 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.840 13.577 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.681 14.602 -6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.601 14.147 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.026 15.780 -5.929 1.00 0.00 H new ATOM 397 N TRP A 24 11.847 11.836 -2.395 1.00 0.00 N ATOM 398 CA TRP A 24 10.886 10.996 -3.133 1.00 0.00 C ATOM 399 C TRP A 24 10.631 11.556 -4.538 1.00 0.00 C ATOM 400 O TRP A 24 10.729 12.764 -4.754 1.00 0.00 O ATOM 401 CB TRP A 24 9.570 10.885 -2.324 1.00 0.00 C ATOM 402 CG TRP A 24 9.810 10.368 -0.922 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.078 11.111 0.197 1.00 0.00 C ATOM 404 CD2 TRP A 24 9.858 8.996 -0.506 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.276 10.287 1.270 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.142 8.989 0.867 1.00 0.00 C ATOM 407 CE3 TRP A 24 9.686 7.775 -1.163 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.261 7.813 1.594 1.00 0.00 C ATOM 409 CZ3 TRP A 24 9.793 6.606 -0.438 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.078 6.631 0.929 1.00 0.00 C ATOM 0 H TRP A 24 11.404 12.464 -1.725 1.00 0.00 H new ATOM 0 HA TRP A 24 11.307 9.998 -3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.092 11.863 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.880 10.220 -2.843 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.126 12.190 0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.490 10.593 2.219 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.473 7.747 -2.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.490 7.830 2.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.654 5.657 -0.935 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.155 5.700 1.471 1.00 0.00 H new ATOM 421 N LYS A 25 10.323 10.660 -5.488 1.00 0.00 N ATOM 422 CA LYS A 25 10.138 11.024 -6.901 1.00 0.00 C ATOM 423 C LYS A 25 8.678 11.415 -7.187 1.00 0.00 C ATOM 424 O LYS A 25 8.410 12.337 -7.968 1.00 0.00 O ATOM 425 CB LYS A 25 10.560 9.845 -7.807 1.00 0.00 C ATOM 426 CG LYS A 25 10.656 10.214 -9.303 1.00 0.00 C ATOM 427 CD LYS A 25 10.922 9.005 -10.213 1.00 0.00 C ATOM 428 CE LYS A 25 9.800 7.955 -10.161 1.00 0.00 C ATOM 429 NZ LYS A 25 10.046 6.846 -11.106 1.00 0.00 N ATOM 0 H LYS A 25 10.196 9.666 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 25 10.767 11.888 -7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.527 9.469 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.843 9.032 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.728 10.694 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.453 10.944 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.042 9.350 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.863 8.538 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.718 7.559 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.847 8.429 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.191 6.258 -11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.284 7.233 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.836 6.265 -10.761 1.00 0.00 H new ATOM 443 N GLY A 26 7.735 10.677 -6.567 1.00 0.00 N ATOM 444 CA GLY A 26 6.305 10.972 -6.714 1.00 0.00 C ATOM 445 C GLY A 26 5.896 12.229 -5.959 1.00 0.00 C ATOM 446 O GLY A 26 4.998 12.960 -6.386 1.00 0.00 O ATOM 0 H GLY A 26 7.941 9.879 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.067 11.092 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.722 10.126 -6.350 1.00 0.00 H new ATOM 450 N PHE A 27 6.562 12.463 -4.817 1.00 0.00 N ATOM 451 CA PHE A 27 6.395 13.690 -4.017 1.00 0.00 C ATOM 452 C PHE A 27 7.456 14.726 -4.405 1.00 0.00 C ATOM 453 O PHE A 27 8.464 14.394 -5.032 1.00 0.00 O ATOM 454 CB PHE A 27 6.464 13.368 -2.504 1.00 0.00 C ATOM 455 CG PHE A 27 5.328 12.466 -2.031 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.025 12.955 -1.942 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.555 11.137 -1.685 1.00 0.00 C ATOM 458 CE1 PHE A 27 2.987 12.142 -1.533 1.00 0.00 C ATOM 459 CE2 PHE A 27 4.515 10.326 -1.272 1.00 0.00 C ATOM 460 CZ PHE A 27 3.233 10.826 -1.195 1.00 0.00 C ATOM 0 H PHE A 27 7.234 11.806 -4.420 1.00 0.00 H new ATOM 0 HA PHE A 27 5.412 14.111 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.417 12.887 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.439 14.300 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.825 13.985 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.556 10.735 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.983 12.535 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.708 9.296 -1.009 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.423 10.190 -0.871 1.00 0.00 H new ATOM 470 N THR A 28 7.204 15.986 -4.034 1.00 0.00 N ATOM 471 CA THR A 28 8.079 17.119 -4.364 1.00 0.00 C ATOM 472 C THR A 28 9.388 17.087 -3.541 1.00 0.00 C ATOM 473 O THR A 28 9.551 16.274 -2.623 1.00 0.00 O ATOM 474 CB THR A 28 7.323 18.472 -4.128 1.00 0.00 C ATOM 475 OG1 THR A 28 6.844 18.526 -2.766 1.00 0.00 O ATOM 476 CG2 THR A 28 6.138 18.656 -5.112 1.00 0.00 C ATOM 0 H THR A 28 6.381 16.251 -3.492 1.00 0.00 H new ATOM 0 HA THR A 28 8.348 17.036 -5.417 1.00 0.00 H new ATOM 0 HB THR A 28 8.027 19.284 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.241 19.291 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.643 19.606 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.511 18.649 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.426 17.841 -4.980 1.00 0.00 H new ATOM 484 N ASP A 29 10.322 17.987 -3.889 1.00 0.00 N ATOM 485 CA ASP A 29 11.572 18.197 -3.125 1.00 0.00 C ATOM 486 C ASP A 29 11.281 18.845 -1.767 1.00 0.00 C ATOM 487 O ASP A 29 12.122 18.822 -0.861 1.00 0.00 O ATOM 488 CB ASP A 29 12.575 19.050 -3.943 1.00 0.00 C ATOM 489 CG ASP A 29 13.163 18.303 -5.154 1.00 0.00 C ATOM 490 OD1 ASP A 29 12.391 17.890 -6.049 1.00 0.00 O ATOM 491 OD2 ASP A 29 14.398 18.119 -5.219 1.00 0.00 O ATOM 0 H ASP A 29 10.236 18.591 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 29 12.026 17.223 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.074 19.954 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.388 19.367 -3.290 1.00 0.00 H new ATOM 496 N ALA A 30 10.080 19.432 -1.653 1.00 0.00 N ATOM 497 CA ALA A 30 9.560 19.991 -0.398 1.00 0.00 C ATOM 498 C ALA A 30 9.105 18.879 0.579 1.00 0.00 C ATOM 499 O ALA A 30 8.972 19.131 1.785 1.00 0.00 O ATOM 500 CB ALA A 30 8.403 20.950 -0.705 1.00 0.00 C ATOM 0 H ALA A 30 9.437 19.532 -2.438 1.00 0.00 H new ATOM 0 HA ALA A 30 10.364 20.539 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.017 21.365 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.760 21.759 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.608 20.409 -1.218 1.00 0.00 H new ATOM 506 N ASP A 31 8.862 17.654 0.051 1.00 0.00 N ATOM 507 CA ASP A 31 8.407 16.496 0.850 1.00 0.00 C ATOM 508 C ASP A 31 9.416 15.340 0.700 1.00 0.00 C ATOM 509 O ASP A 31 9.304 14.492 -0.196 1.00 0.00 O ATOM 510 CB ASP A 31 6.974 16.054 0.440 1.00 0.00 C ATOM 511 CG ASP A 31 6.436 14.912 1.329 1.00 0.00 C ATOM 512 OD1 ASP A 31 6.101 15.182 2.501 1.00 0.00 O ATOM 513 OD2 ASP A 31 6.363 13.747 0.883 1.00 0.00 O ATOM 0 H ASP A 31 8.977 17.444 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 31 8.360 16.788 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.301 16.909 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.980 15.729 -0.601 1.00 0.00 H new ATOM 518 N ASN A 32 10.453 15.392 1.539 1.00 0.00 N ATOM 519 CA ASN A 32 11.472 14.340 1.679 1.00 0.00 C ATOM 520 C ASN A 32 11.584 13.898 3.160 1.00 0.00 C ATOM 521 O ASN A 32 11.584 14.742 4.068 1.00 0.00 O ATOM 522 CB ASN A 32 12.841 14.832 1.109 1.00 0.00 C ATOM 523 CG ASN A 32 13.239 16.265 1.476 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.789 16.835 2.473 1.00 0.00 O ATOM 525 ND2 ASN A 32 14.124 16.843 0.676 1.00 0.00 N ATOM 0 H ASN A 32 10.615 16.187 2.158 1.00 0.00 H new ATOM 0 HA ASN A 32 11.172 13.468 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.622 14.157 1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.811 14.750 0.022 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.453 17.787 0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.476 16.343 -0.141 1.00 0.00 H new ATOM 532 N THR A 33 11.670 12.565 3.399 1.00 0.00 N ATOM 533 CA THR A 33 11.640 11.969 4.759 1.00 0.00 C ATOM 534 C THR A 33 12.795 10.969 4.952 1.00 0.00 C ATOM 535 O THR A 33 13.304 10.401 3.981 1.00 0.00 O ATOM 536 CB THR A 33 10.272 11.238 5.043 1.00 0.00 C ATOM 537 OG1 THR A 33 10.082 10.145 4.126 1.00 0.00 O ATOM 538 CG2 THR A 33 9.067 12.192 4.934 1.00 0.00 C ATOM 0 H THR A 33 11.762 11.874 2.655 1.00 0.00 H new ATOM 0 HA THR A 33 11.753 12.792 5.465 1.00 0.00 H new ATOM 0 HB THR A 33 10.326 10.865 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.068 9.300 4.622 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.148 11.642 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.175 12.999 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.024 12.610 3.928 1.00 0.00 H new ATOM 546 N TRP A 34 13.194 10.773 6.219 1.00 0.00 N ATOM 547 CA TRP A 34 14.209 9.781 6.619 1.00 0.00 C ATOM 548 C TRP A 34 13.580 8.384 6.715 1.00 0.00 C ATOM 549 O TRP A 34 12.611 8.191 7.464 1.00 0.00 O ATOM 550 CB TRP A 34 14.831 10.146 7.991 1.00 0.00 C ATOM 551 CG TRP A 34 15.679 11.391 7.984 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.278 12.679 8.217 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.089 11.448 7.751 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.353 13.522 8.137 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.476 12.792 7.850 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.057 10.482 7.460 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.795 13.198 7.676 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.364 10.882 7.283 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.724 12.230 7.393 1.00 0.00 C ATOM 0 H TRP A 34 12.818 11.304 7.004 1.00 0.00 H new ATOM 0 HA TRP A 34 14.991 9.783 5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.028 10.273 8.717 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.440 9.309 8.333 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.265 12.984 8.432 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.323 14.533 8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.785 9.440 7.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 19.077 14.237 7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.121 10.145 7.056 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.756 12.514 7.252 1.00 0.00 H new ATOM 570 N GLU A 35 14.138 7.414 5.970 1.00 0.00 N ATOM 571 CA GLU A 35 13.768 5.990 6.089 1.00 0.00 C ATOM 572 C GLU A 35 15.024 5.155 6.391 1.00 0.00 C ATOM 573 O GLU A 35 16.083 5.411 5.806 1.00 0.00 O ATOM 574 CB GLU A 35 13.072 5.441 4.812 1.00 0.00 C ATOM 575 CG GLU A 35 11.745 6.129 4.420 1.00 0.00 C ATOM 576 CD GLU A 35 10.723 6.246 5.568 1.00 0.00 C ATOM 577 OE1 GLU A 35 10.545 5.259 6.326 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.074 7.316 5.702 1.00 0.00 O ATOM 0 H GLU A 35 14.857 7.593 5.269 1.00 0.00 H new ATOM 0 HA GLU A 35 13.051 5.910 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.766 5.530 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.880 4.378 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.966 7.128 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.290 5.573 3.601 1.00 0.00 H new ATOM 585 N PRO A 36 14.929 4.143 7.309 1.00 0.00 N ATOM 586 CA PRO A 36 16.052 3.224 7.607 1.00 0.00 C ATOM 587 C PRO A 36 16.366 2.284 6.429 1.00 0.00 C ATOM 588 O PRO A 36 15.506 2.047 5.572 1.00 0.00 O ATOM 589 CB PRO A 36 15.549 2.453 8.847 1.00 0.00 C ATOM 590 CG PRO A 36 14.058 2.475 8.729 1.00 0.00 C ATOM 591 CD PRO A 36 13.722 3.817 8.126 1.00 0.00 C ATOM 0 HA PRO A 36 16.992 3.747 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.930 1.432 8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.880 2.929 9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.702 1.661 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.585 2.353 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.823 3.767 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.542 4.569 8.894 1.00 0.00 H new ATOM 599 N GLU A 37 17.600 1.736 6.413 1.00 0.00 N ATOM 600 CA GLU A 37 18.092 0.884 5.307 1.00 0.00 C ATOM 601 C GLU A 37 17.302 -0.440 5.214 1.00 0.00 C ATOM 602 O GLU A 37 17.204 -1.032 4.135 1.00 0.00 O ATOM 603 CB GLU A 37 19.614 0.605 5.438 1.00 0.00 C ATOM 604 CG GLU A 37 20.015 -0.210 6.683 1.00 0.00 C ATOM 605 CD GLU A 37 21.479 -0.681 6.661 1.00 0.00 C ATOM 606 OE1 GLU A 37 21.808 -1.580 5.853 1.00 0.00 O ATOM 607 OE2 GLU A 37 22.299 -0.174 7.451 1.00 0.00 O ATOM 0 H GLU A 37 18.280 1.870 7.161 1.00 0.00 H new ATOM 0 HA GLU A 37 17.929 1.437 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 37 19.950 0.072 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.144 1.557 5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 37 19.850 0.397 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.363 -1.080 6.764 1.00 0.00 H new ATOM 614 N GLU A 38 16.735 -0.874 6.362 1.00 0.00 N ATOM 615 CA GLU A 38 15.857 -2.063 6.453 1.00 0.00 C ATOM 616 C GLU A 38 14.585 -1.877 5.599 1.00 0.00 C ATOM 617 O GLU A 38 14.039 -2.843 5.049 1.00 0.00 O ATOM 618 CB GLU A 38 15.488 -2.325 7.936 1.00 0.00 C ATOM 619 CG GLU A 38 14.739 -1.163 8.611 1.00 0.00 C ATOM 620 CD GLU A 38 14.592 -1.312 10.131 1.00 0.00 C ATOM 621 OE1 GLU A 38 15.596 -1.122 10.851 1.00 0.00 O ATOM 622 OE2 GLU A 38 13.480 -1.605 10.610 1.00 0.00 O ATOM 0 H GLU A 38 16.875 -0.406 7.258 1.00 0.00 H new ATOM 0 HA GLU A 38 16.394 -2.927 6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.872 -3.222 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.401 -2.529 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.265 -0.233 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.747 -1.078 8.167 1.00 0.00 H new ATOM 629 N ASN A 39 14.135 -0.616 5.502 1.00 0.00 N ATOM 630 CA ASN A 39 12.982 -0.216 4.687 1.00 0.00 C ATOM 631 C ASN A 39 13.377 -0.081 3.212 1.00 0.00 C ATOM 632 O ASN A 39 12.567 -0.350 2.316 1.00 0.00 O ATOM 633 CB ASN A 39 12.399 1.119 5.225 1.00 0.00 C ATOM 634 CG ASN A 39 11.574 0.962 6.502 1.00 0.00 C ATOM 635 OD1 ASN A 39 11.754 0.019 7.276 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.677 1.902 6.737 1.00 0.00 N ATOM 0 H ASN A 39 14.570 0.164 5.995 1.00 0.00 H new ATOM 0 HA ASN A 39 12.217 -0.989 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.219 1.812 5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.775 1.569 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.106 1.862 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.555 2.668 6.074 1.00 0.00 H new ATOM 643 N LEU A 40 14.632 0.328 2.966 1.00 0.00 N ATOM 644 CA LEU A 40 15.131 0.565 1.603 1.00 0.00 C ATOM 645 C LEU A 40 15.328 -0.763 0.880 1.00 0.00 C ATOM 646 O LEU A 40 15.911 -1.698 1.444 1.00 0.00 O ATOM 647 CB LEU A 40 16.464 1.369 1.609 1.00 0.00 C ATOM 648 CG LEU A 40 16.480 2.675 2.470 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.696 3.563 2.145 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.169 3.455 2.338 1.00 0.00 C ATOM 0 H LEU A 40 15.322 0.502 3.697 1.00 0.00 H new ATOM 0 HA LEU A 40 14.385 1.160 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.258 0.713 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.709 1.634 0.580 1.00 0.00 H new ATOM 0 HG LEU A 40 16.575 2.367 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.668 4.459 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.614 3.011 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.667 3.848 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.218 4.355 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.014 3.733 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.340 2.832 2.674 1.00 0.00 H new ATOM 662 N ASP A 41 14.816 -0.841 -0.352 1.00 0.00 N ATOM 663 CA ASP A 41 15.057 -1.972 -1.255 1.00 0.00 C ATOM 664 C ASP A 41 15.651 -1.410 -2.557 1.00 0.00 C ATOM 665 O ASP A 41 15.016 -1.402 -3.622 1.00 0.00 O ATOM 666 CB ASP A 41 13.761 -2.800 -1.485 1.00 0.00 C ATOM 667 CG ASP A 41 14.020 -4.106 -2.260 1.00 0.00 C ATOM 668 OD1 ASP A 41 14.765 -4.967 -1.740 1.00 0.00 O ATOM 669 OD2 ASP A 41 13.503 -4.273 -3.384 1.00 0.00 O ATOM 0 H ASP A 41 14.219 -0.118 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 41 15.766 -2.673 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.311 -3.037 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.040 -2.194 -2.033 1.00 0.00 H new ATOM 674 N CYS A 42 16.873 -0.870 -2.421 1.00 0.00 N ATOM 675 CA CYS A 42 17.607 -0.241 -3.513 1.00 0.00 C ATOM 676 C CYS A 42 19.127 -0.345 -3.268 1.00 0.00 C ATOM 677 O CYS A 42 19.634 0.258 -2.312 1.00 0.00 O ATOM 678 CB CYS A 42 17.204 1.238 -3.636 1.00 0.00 C ATOM 679 SG CYS A 42 18.171 2.141 -4.842 1.00 0.00 S ATOM 0 H CYS A 42 17.379 -0.862 -1.535 1.00 0.00 H new ATOM 0 HA CYS A 42 17.361 -0.759 -4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 42 16.150 1.298 -3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.310 1.718 -2.663 1.00 0.00 H new ATOM 0 HG CYS A 42 17.957 1.649 -6.026 1.00 0.00 H new ATOM 685 N PRO A 43 19.881 -1.139 -4.091 1.00 0.00 N ATOM 686 CA PRO A 43 21.362 -1.097 -4.086 1.00 0.00 C ATOM 687 C PRO A 43 21.907 0.118 -4.873 1.00 0.00 C ATOM 688 O PRO A 43 23.020 0.579 -4.617 1.00 0.00 O ATOM 689 CB PRO A 43 21.751 -2.439 -4.758 1.00 0.00 C ATOM 690 CG PRO A 43 20.618 -2.729 -5.699 1.00 0.00 C ATOM 691 CD PRO A 43 19.365 -2.174 -5.037 1.00 0.00 C ATOM 0 HA PRO A 43 21.781 -0.982 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 43 22.698 -2.356 -5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.868 -3.233 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.787 -2.260 -6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 43 20.523 -3.800 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.685 -1.740 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 43 18.813 -2.954 -4.512 1.00 0.00 H new ATOM 699 N GLU A 44 21.081 0.634 -5.812 1.00 0.00 N ATOM 700 CA GLU A 44 21.468 1.700 -6.754 1.00 0.00 C ATOM 701 C GLU A 44 21.808 3.017 -6.024 1.00 0.00 C ATOM 702 O GLU A 44 22.933 3.490 -6.097 1.00 0.00 O ATOM 703 CB GLU A 44 20.317 1.935 -7.782 1.00 0.00 C ATOM 704 CG GLU A 44 20.538 3.103 -8.773 1.00 0.00 C ATOM 705 CD GLU A 44 21.789 2.928 -9.653 1.00 0.00 C ATOM 706 OE1 GLU A 44 21.706 2.249 -10.695 1.00 0.00 O ATOM 707 OE2 GLU A 44 22.867 3.458 -9.302 1.00 0.00 O ATOM 0 H GLU A 44 20.119 0.317 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 44 22.368 1.376 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.171 1.019 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.394 2.118 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.662 3.197 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.624 4.034 -8.213 1.00 0.00 H new ATOM 714 N LEU A 45 20.838 3.546 -5.266 1.00 0.00 N ATOM 715 CA LEU A 45 20.908 4.899 -4.672 1.00 0.00 C ATOM 716 C LEU A 45 21.908 4.974 -3.514 1.00 0.00 C ATOM 717 O LEU A 45 22.612 5.973 -3.369 1.00 0.00 O ATOM 718 CB LEU A 45 19.509 5.339 -4.186 1.00 0.00 C ATOM 719 CG LEU A 45 18.420 5.475 -5.288 1.00 0.00 C ATOM 720 CD1 LEU A 45 17.084 5.936 -4.678 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.875 6.403 -6.440 1.00 0.00 C ATOM 0 H LEU A 45 19.976 3.049 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 45 21.258 5.576 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 45 19.160 4.620 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.607 6.299 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 45 18.267 4.489 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.336 6.025 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.750 5.206 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.219 6.904 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.084 6.470 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.086 7.397 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.776 5.997 -6.900 1.00 0.00 H new ATOM 733 N ILE A 46 21.944 3.914 -2.695 1.00 0.00 N ATOM 734 CA ILE A 46 22.842 3.830 -1.527 1.00 0.00 C ATOM 735 C ILE A 46 24.313 3.795 -1.982 1.00 0.00 C ATOM 736 O ILE A 46 25.128 4.604 -1.537 1.00 0.00 O ATOM 737 CB ILE A 46 22.490 2.576 -0.638 1.00 0.00 C ATOM 738 CG1 ILE A 46 21.033 2.715 -0.070 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.523 2.362 0.500 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.569 1.561 0.812 1.00 0.00 C ATOM 0 H ILE A 46 21.355 3.091 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 46 22.698 4.720 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 46 22.537 1.689 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.971 3.639 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.341 2.813 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.242 1.488 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.512 2.207 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.542 3.241 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.552 1.751 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.592 0.634 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.231 1.472 1.673 1.00 0.00 H new ATOM 752 N GLU A 47 24.610 2.881 -2.917 1.00 0.00 N ATOM 753 CA GLU A 47 25.966 2.695 -3.467 1.00 0.00 C ATOM 754 C GLU A 47 26.412 3.930 -4.269 1.00 0.00 C ATOM 755 O GLU A 47 27.560 4.363 -4.159 1.00 0.00 O ATOM 756 CB GLU A 47 25.998 1.425 -4.347 1.00 0.00 C ATOM 757 CG GLU A 47 27.337 1.123 -5.038 1.00 0.00 C ATOM 758 CD GLU A 47 27.346 -0.244 -5.738 1.00 0.00 C ATOM 759 OE1 GLU A 47 27.559 -1.269 -5.053 1.00 0.00 O ATOM 760 OE2 GLU A 47 27.115 -0.308 -6.965 1.00 0.00 O ATOM 0 H GLU A 47 23.917 2.247 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 47 26.666 2.572 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.730 0.570 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.228 1.517 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.548 1.903 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.138 1.154 -4.299 1.00 0.00 H new ATOM 767 N ALA A 48 25.476 4.504 -5.052 1.00 0.00 N ATOM 768 CA ALA A 48 25.746 5.699 -5.879 1.00 0.00 C ATOM 769 C ALA A 48 26.054 6.920 -4.999 1.00 0.00 C ATOM 770 O ALA A 48 26.911 7.729 -5.340 1.00 0.00 O ATOM 771 CB ALA A 48 24.569 6.003 -6.818 1.00 0.00 C ATOM 0 H ALA A 48 24.520 4.157 -5.129 1.00 0.00 H new ATOM 0 HA ALA A 48 26.623 5.483 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.797 6.887 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.403 5.153 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.671 6.185 -6.228 1.00 0.00 H new ATOM 777 N PHE A 49 25.349 7.019 -3.855 1.00 0.00 N ATOM 778 CA PHE A 49 25.563 8.081 -2.845 1.00 0.00 C ATOM 779 C PHE A 49 27.001 8.012 -2.282 1.00 0.00 C ATOM 780 O PHE A 49 27.699 9.033 -2.184 1.00 0.00 O ATOM 781 CB PHE A 49 24.504 7.934 -1.711 1.00 0.00 C ATOM 782 CG PHE A 49 24.741 8.814 -0.487 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.513 10.189 -0.535 1.00 0.00 C ATOM 784 CD2 PHE A 49 25.208 8.265 0.711 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.748 10.982 0.571 1.00 0.00 C ATOM 786 CE2 PHE A 49 25.446 9.063 1.811 1.00 0.00 C ATOM 787 CZ PHE A 49 25.212 10.420 1.743 1.00 0.00 C ATOM 0 H PHE A 49 24.611 6.362 -3.602 1.00 0.00 H new ATOM 0 HA PHE A 49 25.442 9.058 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.521 8.165 -2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.479 6.892 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.149 10.639 -1.447 1.00 0.00 H new ATOM 0 HD2 PHE A 49 25.385 7.202 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.568 12.046 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.816 8.624 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.392 11.043 2.607 1.00 0.00 H new ATOM 797 N LEU A 50 27.427 6.786 -1.938 1.00 0.00 N ATOM 798 CA LEU A 50 28.760 6.517 -1.358 1.00 0.00 C ATOM 799 C LEU A 50 29.880 6.760 -2.397 1.00 0.00 C ATOM 800 O LEU A 50 30.947 7.281 -2.068 1.00 0.00 O ATOM 801 CB LEU A 50 28.802 5.070 -0.805 1.00 0.00 C ATOM 802 CG LEU A 50 27.752 4.741 0.312 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.771 3.245 0.678 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.952 5.624 1.567 1.00 0.00 C ATOM 0 H LEU A 50 26.857 5.948 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 50 28.935 7.209 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.652 4.379 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.799 4.881 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 50 26.768 4.972 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.032 3.051 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.534 2.651 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.761 2.972 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.205 5.365 2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.949 5.456 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.843 6.674 1.294 1.00 0.00 H new ATOM 816 N ASN A 51 29.599 6.402 -3.661 1.00 0.00 N ATOM 817 CA ASN A 51 30.547 6.565 -4.792 1.00 0.00 C ATOM 818 C ASN A 51 30.520 7.996 -5.370 1.00 0.00 C ATOM 819 O ASN A 51 31.424 8.376 -6.116 1.00 0.00 O ATOM 820 CB ASN A 51 30.250 5.509 -5.898 1.00 0.00 C ATOM 821 CG ASN A 51 30.543 4.071 -5.444 1.00 0.00 C ATOM 822 OD1 ASN A 51 31.430 3.836 -4.621 1.00 0.00 O ATOM 823 ND2 ASN A 51 29.817 3.104 -5.978 1.00 0.00 N ATOM 0 H ASN A 51 28.707 5.990 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 51 31.554 6.399 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.204 5.585 -6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.849 5.736 -6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 51 29.984 2.134 -5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 51 29.089 3.328 -6.657 1.00 0.00 H new ATOM 830 N SER A 52 29.481 8.783 -5.021 1.00 0.00 N ATOM 831 CA SER A 52 29.383 10.215 -5.401 1.00 0.00 C ATOM 832 C SER A 52 30.224 11.073 -4.435 1.00 0.00 C ATOM 833 O SER A 52 30.638 12.189 -4.772 1.00 0.00 O ATOM 834 CB SER A 52 27.905 10.683 -5.398 1.00 0.00 C ATOM 835 OG SER A 52 27.763 11.992 -5.930 1.00 0.00 O ATOM 0 H SER A 52 28.689 8.450 -4.471 1.00 0.00 H new ATOM 0 HA SER A 52 29.773 10.336 -6.411 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.303 9.987 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.519 10.662 -4.379 1.00 0.00 H new ATOM 0 HG SER A 52 26.818 12.251 -5.913 1.00 0.00 H new ATOM 841 N GLN A 53 30.446 10.536 -3.221 1.00 0.00 N ATOM 842 CA GLN A 53 31.376 11.115 -2.236 1.00 0.00 C ATOM 843 C GLN A 53 32.831 10.929 -2.715 1.00 0.00 C ATOM 844 O GLN A 53 33.709 11.741 -2.392 1.00 0.00 O ATOM 845 CB GLN A 53 31.146 10.452 -0.848 1.00 0.00 C ATOM 846 CG GLN A 53 29.801 10.833 -0.190 1.00 0.00 C ATOM 847 CD GLN A 53 29.466 10.006 1.055 1.00 0.00 C ATOM 848 OE1 GLN A 53 28.656 8.974 0.890 1.00 0.00 O flip ATOM 849 NE2 GLN A 53 29.895 10.321 2.164 1.00 0.00 N flip ATOM 0 H GLN A 53 29.984 9.687 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 53 31.190 12.184 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 53 31.190 9.369 -0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.960 10.736 -0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.826 11.888 0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 53 29.002 10.711 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.519 11.122 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.627 9.781 2.987 1.00 0.00 H new ATOM 858 N LYS A 54 33.065 9.850 -3.491 1.00 0.00 N ATOM 859 CA LYS A 54 34.373 9.565 -4.098 1.00 0.00 C ATOM 860 C LYS A 54 34.521 10.286 -5.463 1.00 0.00 C ATOM 861 O LYS A 54 35.051 11.413 -5.489 1.00 0.00 O ATOM 862 CB LYS A 54 34.590 8.024 -4.232 1.00 0.00 C ATOM 863 CG LYS A 54 34.681 7.264 -2.886 1.00 0.00 C ATOM 864 CD LYS A 54 35.788 7.831 -1.955 1.00 0.00 C ATOM 865 CE LYS A 54 37.200 7.809 -2.586 1.00 0.00 C ATOM 866 NZ LYS A 54 38.189 8.525 -1.746 1.00 0.00 N ATOM 867 OXT LYS A 54 34.098 9.729 -6.496 1.00 0.00 O ATOM 0 H LYS A 54 32.351 9.156 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 54 35.151 9.954 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 33.770 7.605 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 54 35.506 7.847 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 33.719 7.319 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 54 34.879 6.210 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 54 35.535 8.857 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 54 35.804 7.254 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 54 37.520 6.776 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 54 37.164 8.267 -3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 39.123 8.488 -2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 37.897 9.517 -1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 38.242 8.073 -0.811 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 14.407 11.476 -11.366 1.00 0.00 N ATOM 883 CA ALA B 1 13.548 11.836 -12.522 1.00 0.00 C ATOM 884 C ALA B 1 12.940 10.566 -13.149 1.00 0.00 C ATOM 885 O ALA B 1 11.727 10.348 -13.078 1.00 0.00 O ATOM 886 CB ALA B 1 14.350 12.659 -13.553 1.00 0.00 C ATOM 0 H1 ALA B 1 14.729 12.343 -10.890 1.00 0.00 H new ATOM 0 H2 ALA B 1 13.863 10.895 -10.697 1.00 0.00 H new ATOM 0 H3 ALA B 1 15.232 10.938 -11.701 1.00 0.00 H new ATOM 0 HA ALA B 1 12.724 12.460 -12.176 1.00 0.00 H new ATOM 0 HB1 ALA B 1 13.706 12.915 -14.394 1.00 0.00 H new ATOM 0 HB2 ALA B 1 14.715 13.573 -13.084 1.00 0.00 H new ATOM 0 HB3 ALA B 1 15.196 12.071 -13.909 1.00 0.00 H new ATOM 894 N ARG B 2 13.801 9.713 -13.735 1.00 0.00 N ATOM 895 CA ARG B 2 13.387 8.446 -14.391 1.00 0.00 C ATOM 896 C ARG B 2 13.698 7.216 -13.509 1.00 0.00 C ATOM 897 O ARG B 2 13.527 6.075 -13.947 1.00 0.00 O ATOM 898 CB ARG B 2 14.098 8.310 -15.769 1.00 0.00 C ATOM 899 CG ARG B 2 15.640 8.453 -15.714 1.00 0.00 C ATOM 900 CD ARG B 2 16.324 7.979 -17.007 1.00 0.00 C ATOM 901 NE ARG B 2 16.159 6.523 -17.191 1.00 0.00 N ATOM 902 CZ ARG B 2 15.954 5.900 -18.358 1.00 0.00 C ATOM 903 NH1 ARG B 2 15.872 6.581 -19.493 1.00 0.00 N ATOM 904 NH2 ARG B 2 15.816 4.588 -18.379 1.00 0.00 N ATOM 0 H ARG B 2 14.807 9.878 -13.770 1.00 0.00 H new ATOM 0 HA ARG B 2 12.307 8.481 -14.537 1.00 0.00 H new ATOM 0 HB2 ARG B 2 13.851 7.338 -16.197 1.00 0.00 H new ATOM 0 HB3 ARG B 2 13.700 9.066 -16.445 1.00 0.00 H new ATOM 0 HG2 ARG B 2 15.898 9.496 -15.532 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.025 7.878 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.900 8.507 -17.861 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.385 8.227 -16.973 1.00 0.00 H new ATOM 0 HE ARG B 2 16.205 5.941 -16.355 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.966 7.597 -19.486 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.715 6.089 -20.373 1.00 0.00 H new ATOM 0 HH21 ARG B 2 15.866 4.056 -17.510 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.659 4.106 -19.264 1.00 0.00 H new ATOM 918 N THR B 3 14.130 7.460 -12.265 1.00 0.00 N ATOM 919 CA THR B 3 14.608 6.409 -11.345 1.00 0.00 C ATOM 920 C THR B 3 13.450 5.796 -10.507 1.00 0.00 C ATOM 921 O THR B 3 12.800 6.500 -9.730 1.00 0.00 O ATOM 922 CB THR B 3 15.709 7.016 -10.408 1.00 0.00 C ATOM 923 OG1 THR B 3 15.272 8.302 -9.909 1.00 0.00 O ATOM 924 CG2 THR B 3 17.066 7.170 -11.123 1.00 0.00 C ATOM 0 H THR B 3 14.160 8.397 -11.862 1.00 0.00 H new ATOM 0 HA THR B 3 15.030 5.597 -11.937 1.00 0.00 H new ATOM 0 HB THR B 3 15.852 6.321 -9.580 1.00 0.00 H new ATOM 0 HG1 THR B 3 15.617 8.435 -9.001 1.00 0.00 H new ATOM 0 HG21 THR B 3 17.795 7.594 -10.433 1.00 0.00 H new ATOM 0 HG22 THR B 3 17.412 6.193 -11.461 1.00 0.00 H new ATOM 0 HG23 THR B 3 16.952 7.832 -11.982 1.00 0.00 H new ATOM 932 N LYS B 4 13.191 4.479 -10.684 1.00 0.00 N ATOM 933 CA LYS B 4 12.166 3.739 -9.905 1.00 0.00 C ATOM 934 C LYS B 4 12.861 2.841 -8.871 1.00 0.00 C ATOM 935 O LYS B 4 13.461 1.828 -9.244 1.00 0.00 O ATOM 936 CB LYS B 4 11.253 2.844 -10.805 1.00 0.00 C ATOM 937 CG LYS B 4 10.443 3.570 -11.905 1.00 0.00 C ATOM 938 CD LYS B 4 11.279 3.901 -13.159 1.00 0.00 C ATOM 939 CE LYS B 4 10.452 4.573 -14.263 1.00 0.00 C ATOM 940 NZ LYS B 4 11.276 4.872 -15.458 1.00 0.00 N ATOM 0 H LYS B 4 13.682 3.901 -11.366 1.00 0.00 H new ATOM 0 HA LYS B 4 11.534 4.484 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS B 4 11.879 2.091 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS B 4 10.553 2.314 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.597 2.947 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS B 4 10.033 4.493 -11.496 1.00 0.00 H new ATOM 0 HD2 LYS B 4 12.103 4.557 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS B 4 11.720 2.984 -13.549 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.624 3.922 -14.545 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.016 5.496 -13.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.754 5.514 -16.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.165 5.324 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.489 3.988 -15.963 1.00 0.00 H new ATOM 954 N GLN B 5 12.824 3.230 -7.582 1.00 0.00 N ATOM 955 CA GLN B 5 13.391 2.422 -6.484 1.00 0.00 C ATOM 956 C GLN B 5 12.341 2.226 -5.385 1.00 0.00 C ATOM 957 O GLN B 5 11.746 3.194 -4.898 1.00 0.00 O ATOM 958 CB GLN B 5 14.678 3.060 -5.888 1.00 0.00 C ATOM 959 CG GLN B 5 15.886 3.132 -6.857 1.00 0.00 C ATOM 960 CD GLN B 5 15.819 4.250 -7.895 1.00 0.00 C ATOM 961 OE1 GLN B 5 15.262 5.396 -7.514 1.00 0.00 O flip ATOM 962 NE2 GLN B 5 16.290 4.096 -9.021 1.00 0.00 N flip ATOM 0 H GLN B 5 12.404 4.107 -7.273 1.00 0.00 H new ATOM 0 HA GLN B 5 13.673 1.455 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.442 4.069 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN B 5 14.973 2.490 -5.007 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.796 3.257 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN B 5 15.971 2.178 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.710 3.203 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.260 4.861 -9.695 1.00 0.00 H new ATOM 971 N THR B 6 12.134 0.961 -5.016 1.00 0.00 N ATOM 972 CA THR B 6 11.221 0.549 -3.951 1.00 0.00 C ATOM 973 C THR B 6 11.815 0.930 -2.581 1.00 0.00 C ATOM 974 O THR B 6 12.908 0.476 -2.232 1.00 0.00 O ATOM 975 CB THR B 6 10.981 -0.991 -4.037 1.00 0.00 C ATOM 976 OG1 THR B 6 10.507 -1.321 -5.354 1.00 0.00 O ATOM 977 CG2 THR B 6 9.978 -1.505 -2.992 1.00 0.00 C ATOM 0 H THR B 6 12.609 0.176 -5.461 1.00 0.00 H new ATOM 0 HA THR B 6 10.265 1.060 -4.069 1.00 0.00 H new ATOM 0 HB THR B 6 11.934 -1.477 -3.829 1.00 0.00 H new ATOM 0 HG1 THR B 6 10.356 -2.287 -5.415 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.855 -2.582 -3.105 1.00 0.00 H new ATOM 0 HG22 THR B 6 10.350 -1.285 -1.991 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.016 -1.013 -3.138 1.00 0.00 H new ATOM 985 N ALA B 7 11.119 1.804 -1.837 1.00 0.00 N ATOM 986 CA ALA B 7 11.526 2.207 -0.484 1.00 0.00 C ATOM 987 C ALA B 7 10.306 2.257 0.433 1.00 0.00 C ATOM 988 O ALA B 7 9.421 3.105 0.267 1.00 0.00 O ATOM 989 CB ALA B 7 12.244 3.557 -0.510 1.00 0.00 C ATOM 0 H ALA B 7 10.259 2.250 -2.157 1.00 0.00 H new ATOM 0 HA ALA B 7 12.226 1.467 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.535 3.834 0.503 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.133 3.484 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA B 7 11.576 4.317 -0.916 1.00 0.00 H new ATOM 995 N ARG B 8 10.264 1.315 1.373 1.00 0.00 N ATOM 996 CA ARG B 8 9.216 1.204 2.393 1.00 0.00 C ATOM 997 C ARG B 8 9.251 2.402 3.354 1.00 0.00 C ATOM 998 O ARG B 8 10.322 2.933 3.666 1.00 0.00 O ATOM 999 CB ARG B 8 9.421 -0.128 3.160 1.00 0.00 C ATOM 1000 CG ARG B 8 8.491 -0.366 4.365 1.00 0.00 C ATOM 1001 CD ARG B 8 8.878 -1.633 5.146 1.00 0.00 C ATOM 1002 NE ARG B 8 8.068 -1.812 6.366 1.00 0.00 N ATOM 1003 CZ ARG B 8 8.547 -2.217 7.558 1.00 0.00 C ATOM 1004 NH1 ARG B 8 9.858 -2.336 7.765 1.00 0.00 N ATOM 1005 NH2 ARG B 8 7.707 -2.466 8.544 1.00 0.00 N ATOM 0 H ARG B 8 10.975 0.588 1.451 1.00 0.00 H new ATOM 0 HA ARG B 8 8.237 1.208 1.915 1.00 0.00 H new ATOM 0 HB2 ARG B 8 9.291 -0.952 2.458 1.00 0.00 H new ATOM 0 HB3 ARG B 8 10.453 -0.167 3.510 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.530 0.497 5.030 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.462 -0.454 4.017 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.757 -2.504 4.502 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.932 -1.581 5.418 1.00 0.00 H new ATOM 0 HE ARG B 8 7.069 -1.614 6.302 1.00 0.00 H new ATOM 0 HH11 ARG B 8 10.514 -2.119 7.015 1.00 0.00 H new ATOM 0 HH12 ARG B 8 10.205 -2.644 8.673 1.00 0.00 H new ATOM 0 HH21 ARG B 8 6.704 -2.351 8.400 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.061 -2.773 9.450 1.00 0.00 H new HETATM 1019 N M3L B 9 8.068 2.837 3.799 1.00 0.00 N HETATM 1020 CA M3L B 9 7.948 3.808 4.883 1.00 0.00 C HETATM 1021 CB M3L B 9 6.875 4.870 4.573 1.00 0.00 C HETATM 1022 CG M3L B 9 7.313 5.892 3.507 1.00 0.00 C HETATM 1023 CD M3L B 9 6.363 7.105 3.434 1.00 0.00 C HETATM 1024 CE M3L B 9 6.948 8.261 2.594 1.00 0.00 C HETATM 1025 NZ M3L B 9 6.128 9.561 2.678 1.00 0.00 N HETATM 1026 C M3L B 9 7.631 3.094 6.188 1.00 0.00 C HETATM 1027 O M3L B 9 6.899 2.097 6.199 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.823 10.649 1.844 1.00 0.00 C HETATM 1029 CM2 M3L B 9 6.046 10.024 4.137 1.00 0.00 C HETATM 1030 CM3 M3L B 9 4.711 9.323 2.137 1.00 0.00 C HETATM 0 HM33 M3L B 9 4.768 9.001 1.097 1.00 0.00 H new HETATM 0 HM32 M3L B 9 4.220 8.551 2.729 1.00 0.00 H new HETATM 0 HM31 M3L B 9 4.137 10.248 2.200 1.00 0.00 H new HETATM 0 HM23 M3L B 9 5.564 9.252 4.737 1.00 0.00 H new HETATM 0 HM22 M3L B 9 7.051 10.205 4.518 1.00 0.00 H new HETATM 0 HM21 M3L B 9 5.465 10.945 4.195 1.00 0.00 H new HETATM 0 HM13 M3L B 9 7.826 10.822 2.235 1.00 0.00 H new HETATM 0 HM12 M3L B 9 6.890 10.324 0.806 1.00 0.00 H new HETATM 0 HM11 M3L B 9 6.247 11.573 1.899 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.323 6.237 3.731 1.00 0.00 H new HETATM 0 HG2 M3L B 9 7.351 5.404 2.533 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.966 8.462 2.927 1.00 0.00 H new HETATM 0 HE2 M3L B 9 7.009 7.947 1.552 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.411 6.792 3.004 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.155 7.462 4.443 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.967 4.370 4.235 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.623 5.400 5.492 1.00 0.00 H new HETATM 0 HA M3L B 9 8.903 4.325 4.982 1.00 0.00 H new HETATM 0 H M3L B 9 7.478 2.921 2.971 1.00 0.00 H new ATOM 1050 N SER B 10 8.203 3.606 7.283 1.00 0.00 N ATOM 1051 CA SER B 10 7.947 3.095 8.628 1.00 0.00 C ATOM 1052 C SER B 10 6.563 3.581 9.099 1.00 0.00 C ATOM 1053 O SER B 10 6.442 4.606 9.778 1.00 0.00 O ATOM 1054 CB SER B 10 9.078 3.524 9.597 1.00 0.00 C ATOM 1055 OG SER B 10 8.920 2.948 10.891 1.00 0.00 O ATOM 0 H SER B 10 8.857 4.388 7.258 1.00 0.00 H new ATOM 0 HA SER B 10 7.939 2.005 8.616 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.042 3.227 9.183 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.089 4.611 9.683 1.00 0.00 H new ATOM 0 HG SER B 10 9.653 3.241 11.471 1.00 0.00 H new ATOM 1061 N THR B 11 5.523 2.867 8.648 1.00 0.00 N ATOM 1062 CA THR B 11 4.120 3.198 8.937 1.00 0.00 C ATOM 1063 C THR B 11 3.710 2.694 10.332 1.00 0.00 C ATOM 1064 O THR B 11 2.772 3.222 10.940 1.00 0.00 O ATOM 1065 CB THR B 11 3.186 2.590 7.838 1.00 0.00 C ATOM 1066 OG1 THR B 11 3.360 1.167 7.784 1.00 0.00 O ATOM 1067 CG2 THR B 11 3.479 3.174 6.442 1.00 0.00 C ATOM 0 H THR B 11 5.632 2.036 8.067 1.00 0.00 H new ATOM 0 HA THR B 11 4.015 4.283 8.928 1.00 0.00 H new ATOM 0 HB THR B 11 2.161 2.843 8.110 1.00 0.00 H new ATOM 0 HG1 THR B 11 2.772 0.791 7.096 1.00 0.00 H new ATOM 0 HG21 THR B 11 2.808 2.724 5.711 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.325 4.253 6.459 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.512 2.959 6.167 1.00 0.00 H new ATOM 1075 N GLY B 12 4.443 1.681 10.837 1.00 0.00 N ATOM 1076 CA GLY B 12 4.161 1.072 12.135 1.00 0.00 C ATOM 1077 C GLY B 12 5.412 0.972 13.000 1.00 0.00 C ATOM 1078 O GLY B 12 5.994 -0.109 13.142 1.00 0.00 O ATOM 0 H GLY B 12 5.241 1.270 10.353 1.00 0.00 H new ATOM 0 HA2 GLY B 12 3.406 1.661 12.656 1.00 0.00 H new ATOM 0 HA3 GLY B 12 3.742 0.077 11.986 1.00 0.00 H new ATOM 1082 N GLY B 13 5.842 2.121 13.557 1.00 0.00 N ATOM 1083 CA GLY B 13 6.934 2.160 14.539 1.00 0.00 C ATOM 1084 C GLY B 13 6.465 1.681 15.910 1.00 0.00 C ATOM 1085 O GLY B 13 6.196 2.489 16.808 1.00 0.00 O ATOM 0 H GLY B 13 5.446 3.035 13.340 1.00 0.00 H new ATOM 0 HA2 GLY B 13 7.758 1.534 14.195 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.318 3.177 14.619 1.00 0.00 H new ATOM 1089 N LYS B 14 6.369 0.349 16.064 1.00 0.00 N ATOM 1090 CA LYS B 14 5.737 -0.295 17.232 1.00 0.00 C ATOM 1091 C LYS B 14 6.328 -1.698 17.481 1.00 0.00 C ATOM 1092 O LYS B 14 7.072 -2.237 16.651 1.00 0.00 O ATOM 1093 CB LYS B 14 4.198 -0.378 17.002 1.00 0.00 C ATOM 1094 CG LYS B 14 3.790 -1.083 15.679 1.00 0.00 C ATOM 1095 CD LYS B 14 2.273 -1.012 15.384 1.00 0.00 C ATOM 1096 CE LYS B 14 1.419 -1.822 16.372 1.00 0.00 C ATOM 1097 NZ LYS B 14 -0.031 -1.745 16.050 1.00 0.00 N ATOM 0 H LYS B 14 6.729 -0.316 15.379 1.00 0.00 H new ATOM 0 HA LYS B 14 5.938 0.306 18.119 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.745 -0.910 17.839 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.786 0.631 17.005 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.335 -0.628 14.851 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.095 -2.129 15.725 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.954 0.030 15.409 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.090 -1.377 14.373 1.00 0.00 H new ATOM 0 HE2 LYS B 14 1.739 -2.864 16.357 1.00 0.00 H new ATOM 0 HE3 LYS B 14 1.586 -1.452 17.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -0.570 -2.305 16.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.343 -0.754 16.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -0.195 -2.122 15.095 1.00 0.00 H new ATOM 1111 N ALA B 15 5.977 -2.279 18.636 1.00 0.00 N ATOM 1112 CA ALA B 15 6.369 -3.641 19.030 1.00 0.00 C ATOM 1113 C ALA B 15 5.097 -4.419 19.435 1.00 0.00 C ATOM 1114 O ALA B 15 4.662 -5.323 18.686 1.00 0.00 O ATOM 1115 CB ALA B 15 7.397 -3.586 20.182 1.00 0.00 C ATOM 1116 OXT ALA B 15 4.497 -4.065 20.472 1.00 0.00 O ATOM 0 H ALA B 15 5.403 -1.809 19.336 1.00 0.00 H new ATOM 0 HA ALA B 15 6.847 -4.157 18.197 1.00 0.00 H new ATOM 0 HB1 ALA B 15 7.680 -4.600 20.466 1.00 0.00 H new ATOM 0 HB2 ALA B 15 8.282 -3.040 19.854 1.00 0.00 H new ATOM 0 HB3 ALA B 15 6.955 -3.079 21.040 1.00 0.00 H new TER 1122 ALA B 15