USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 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 NoAdj-H: B 9 M3L H : B 9 M3L N : B 8 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0.415 (180deg=0.376) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 0.982 (180deg=0.663) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.522 (180deg=0.481) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7.1!) USER MOD Single : A 33 THR OG1 : rot 118:sc= 1.22 USER MOD Single : A 39 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.1!) USER MOD Single : A 42 CYS SG : rot 49:sc= -0.191 USER MOD Single : A 51 ASN : amide:sc= -0.0983 X(o=-0.098,f=-0.25) USER MOD Single : A 52 SER OG : rot 65:sc= 1.07 USER MOD Single : A 53 GLN : amide:sc= -3.54! K(o=-3.5!,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ALA N :NH3+ 160:sc= 0.963 (180deg=0.708) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -168:sc= -0.0469 (180deg=-0.264) USER MOD Single : B 5 GLN : amide:sc= -2.56! C(o=-2.6!,f=-7.9!) USER MOD Single : B 6 THR OG1 : rot 33:sc= 0.456 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 2.751 1.679 1.976 1.00 0.00 N ATOM 2 CA GLY A 1 2.840 2.129 0.570 1.00 0.00 C ATOM 3 C GLY A 1 4.266 2.050 0.037 1.00 0.00 C ATOM 4 O GLY A 1 5.193 2.557 0.675 1.00 0.00 O ATOM 0 H1 GLY A 1 1.765 1.748 2.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.070 0.692 2.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.355 2.281 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.186 1.515 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.480 3.155 0.494 1.00 0.00 H new ATOM 10 N GLU A 2 4.450 1.407 -1.131 1.00 0.00 N ATOM 11 CA GLU A 2 5.741 1.363 -1.839 1.00 0.00 C ATOM 12 C GLU A 2 5.807 2.542 -2.816 1.00 0.00 C ATOM 13 O GLU A 2 4.985 2.628 -3.739 1.00 0.00 O ATOM 14 CB GLU A 2 5.887 0.025 -2.594 1.00 0.00 C ATOM 15 CG GLU A 2 5.872 -1.222 -1.692 1.00 0.00 C ATOM 16 CD GLU A 2 6.055 -2.520 -2.484 1.00 0.00 C ATOM 17 OE1 GLU A 2 7.208 -2.860 -2.823 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.056 -3.207 -2.773 1.00 0.00 O ATOM 0 H GLU A 2 3.705 0.902 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 2 6.560 1.438 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.078 -0.058 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.821 0.040 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.665 -1.139 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.928 -1.262 -1.148 1.00 0.00 H new ATOM 25 N PHE A 3 6.749 3.463 -2.581 1.00 0.00 N ATOM 26 CA PHE A 3 6.922 4.673 -3.402 1.00 0.00 C ATOM 27 C PHE A 3 8.296 4.660 -4.077 1.00 0.00 C ATOM 28 O PHE A 3 9.282 4.200 -3.487 1.00 0.00 O ATOM 29 CB PHE A 3 6.747 5.948 -2.535 1.00 0.00 C ATOM 30 CG PHE A 3 5.441 5.976 -1.758 1.00 0.00 C ATOM 31 CD1 PHE A 3 4.221 6.087 -2.419 1.00 0.00 C ATOM 32 CD2 PHE A 3 5.430 5.852 -0.373 1.00 0.00 C ATOM 33 CE1 PHE A 3 3.032 6.086 -1.717 1.00 0.00 C ATOM 34 CE2 PHE A 3 4.243 5.846 0.326 1.00 0.00 C ATOM 35 CZ PHE A 3 3.043 5.961 -0.346 1.00 0.00 C ATOM 0 H PHE A 3 7.417 3.392 -1.813 1.00 0.00 H new ATOM 0 HA PHE A 3 6.156 4.683 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.579 6.019 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.797 6.826 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.204 6.175 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 3 6.364 5.759 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.094 6.183 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.251 5.751 1.402 1.00 0.00 H new ATOM 0 HZ PHE A 3 2.113 5.953 0.203 1.00 0.00 H new ATOM 45 N VAL A 4 8.343 5.138 -5.325 1.00 0.00 N ATOM 46 CA VAL A 4 9.588 5.263 -6.082 1.00 0.00 C ATOM 47 C VAL A 4 10.383 6.479 -5.558 1.00 0.00 C ATOM 48 O VAL A 4 9.865 7.604 -5.484 1.00 0.00 O ATOM 49 CB VAL A 4 9.320 5.356 -7.638 1.00 0.00 C ATOM 50 CG1 VAL A 4 8.342 6.505 -7.993 1.00 0.00 C ATOM 51 CG2 VAL A 4 10.651 5.455 -8.437 1.00 0.00 C ATOM 0 H VAL A 4 7.517 5.449 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 4 10.186 4.364 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 4 8.830 4.429 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.187 6.531 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.388 6.338 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.762 7.455 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.432 5.517 -9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.197 6.346 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.259 4.571 -8.243 1.00 0.00 H new ATOM 61 N VAL A 5 11.617 6.221 -5.119 1.00 0.00 N ATOM 62 CA VAL A 5 12.556 7.258 -4.676 1.00 0.00 C ATOM 63 C VAL A 5 13.513 7.610 -5.831 1.00 0.00 C ATOM 64 O VAL A 5 14.001 6.724 -6.542 1.00 0.00 O ATOM 65 CB VAL A 5 13.324 6.843 -3.352 1.00 0.00 C ATOM 66 CG1 VAL A 5 13.787 5.366 -3.366 1.00 0.00 C ATOM 67 CG2 VAL A 5 14.510 7.802 -3.054 1.00 0.00 C ATOM 0 H VAL A 5 11.998 5.277 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 5 11.993 8.153 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 5 12.604 6.937 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.306 5.139 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.919 4.714 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.462 5.204 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.012 7.486 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.216 7.776 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.134 8.818 -2.929 1.00 0.00 H new ATOM 77 N GLU A 6 13.718 8.927 -6.028 1.00 0.00 N ATOM 78 CA GLU A 6 14.603 9.475 -7.066 1.00 0.00 C ATOM 79 C GLU A 6 16.067 9.156 -6.722 1.00 0.00 C ATOM 80 O GLU A 6 16.779 8.522 -7.510 1.00 0.00 O ATOM 81 CB GLU A 6 14.390 11.018 -7.177 1.00 0.00 C ATOM 82 CG GLU A 6 15.160 11.719 -8.314 1.00 0.00 C ATOM 83 CD GLU A 6 14.668 11.294 -9.704 1.00 0.00 C ATOM 84 OE1 GLU A 6 13.624 11.817 -10.146 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.292 10.420 -10.346 1.00 0.00 O ATOM 0 H GLU A 6 13.267 9.646 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 6 14.364 9.019 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.326 11.211 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.680 11.475 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.054 12.799 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.222 11.493 -8.223 1.00 0.00 H new ATOM 92 N LYS A 7 16.490 9.580 -5.509 1.00 0.00 N ATOM 93 CA LYS A 7 17.888 9.465 -5.049 1.00 0.00 C ATOM 94 C LYS A 7 17.978 9.629 -3.520 1.00 0.00 C ATOM 95 O LYS A 7 17.022 10.072 -2.871 1.00 0.00 O ATOM 96 CB LYS A 7 18.768 10.540 -5.744 1.00 0.00 C ATOM 97 CG LYS A 7 18.291 11.999 -5.510 1.00 0.00 C ATOM 98 CD LYS A 7 19.235 13.049 -6.133 1.00 0.00 C ATOM 99 CE LYS A 7 20.636 13.069 -5.481 1.00 0.00 C ATOM 100 NZ LYS A 7 21.506 14.111 -6.075 1.00 0.00 N ATOM 0 H LYS A 7 15.870 10.011 -4.824 1.00 0.00 H new ATOM 0 HA LYS A 7 18.253 8.472 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.793 10.442 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.785 10.342 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.293 12.121 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.210 12.182 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.340 12.847 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.783 14.036 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.536 13.247 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.106 12.093 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.437 14.092 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.623 13.928 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.070 15.046 -5.940 1.00 0.00 H new ATOM 114 N VAL A 8 19.148 9.270 -2.970 1.00 0.00 N ATOM 115 CA VAL A 8 19.509 9.548 -1.569 1.00 0.00 C ATOM 116 C VAL A 8 20.221 10.914 -1.503 1.00 0.00 C ATOM 117 O VAL A 8 20.992 11.265 -2.406 1.00 0.00 O ATOM 118 CB VAL A 8 20.445 8.432 -0.974 1.00 0.00 C ATOM 119 CG1 VAL A 8 20.796 8.724 0.511 1.00 0.00 C ATOM 120 CG2 VAL A 8 19.823 7.016 -1.141 1.00 0.00 C ATOM 0 H VAL A 8 19.875 8.776 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 8 18.596 9.562 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 8 21.375 8.448 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.444 7.935 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 8 21.311 9.682 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.880 8.760 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.497 6.270 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.866 6.976 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.670 6.808 -2.200 1.00 0.00 H new ATOM 130 N LEU A 9 19.945 11.678 -0.433 1.00 0.00 N ATOM 131 CA LEU A 9 20.514 13.022 -0.218 1.00 0.00 C ATOM 132 C LEU A 9 21.577 13.000 0.887 1.00 0.00 C ATOM 133 O LEU A 9 22.664 13.576 0.727 1.00 0.00 O ATOM 134 CB LEU A 9 19.388 14.032 0.135 1.00 0.00 C ATOM 135 CG LEU A 9 18.285 14.222 -0.961 1.00 0.00 C ATOM 136 CD1 LEU A 9 17.233 15.258 -0.526 1.00 0.00 C ATOM 137 CD2 LEU A 9 18.910 14.593 -2.325 1.00 0.00 C ATOM 0 H LEU A 9 19.317 11.380 0.313 1.00 0.00 H new ATOM 0 HA LEU A 9 20.995 13.339 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 9 18.907 13.706 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.844 15.001 0.339 1.00 0.00 H new ATOM 0 HG LEU A 9 17.773 13.267 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.483 15.366 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.752 14.924 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.718 16.219 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.120 14.718 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.468 15.525 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.584 13.798 -2.645 1.00 0.00 H new ATOM 149 N ASP A 10 21.263 12.326 2.011 1.00 0.00 N ATOM 150 CA ASP A 10 22.145 12.301 3.188 1.00 0.00 C ATOM 151 C ASP A 10 21.993 10.979 3.961 1.00 0.00 C ATOM 152 O ASP A 10 21.018 10.248 3.776 1.00 0.00 O ATOM 153 CB ASP A 10 21.850 13.529 4.101 1.00 0.00 C ATOM 154 CG ASP A 10 22.881 13.714 5.229 1.00 0.00 C ATOM 155 OD1 ASP A 10 24.093 13.680 4.936 1.00 0.00 O ATOM 156 OD2 ASP A 10 22.494 13.847 6.405 1.00 0.00 O ATOM 0 H ASP A 10 20.402 11.791 2.126 1.00 0.00 H new ATOM 0 HA ASP A 10 23.180 12.364 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 10 21.827 14.430 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 10 20.859 13.416 4.540 1.00 0.00 H new ATOM 161 N ARG A 11 22.989 10.688 4.804 1.00 0.00 N ATOM 162 CA ARG A 11 23.053 9.491 5.656 1.00 0.00 C ATOM 163 C ARG A 11 23.180 9.939 7.124 1.00 0.00 C ATOM 164 O ARG A 11 23.710 11.025 7.396 1.00 0.00 O ATOM 165 CB ARG A 11 24.278 8.645 5.213 1.00 0.00 C ATOM 166 CG ARG A 11 24.479 7.293 5.929 1.00 0.00 C ATOM 167 CD ARG A 11 25.659 6.489 5.338 1.00 0.00 C ATOM 168 NE ARG A 11 25.864 5.206 6.039 1.00 0.00 N ATOM 169 CZ ARG A 11 26.870 4.938 6.893 1.00 0.00 C ATOM 170 NH1 ARG A 11 27.825 5.835 7.123 1.00 0.00 N ATOM 171 NH2 ARG A 11 26.922 3.767 7.510 1.00 0.00 N ATOM 0 H ARG A 11 23.800 11.297 4.917 1.00 0.00 H new ATOM 0 HA ARG A 11 22.154 8.882 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 11 24.192 8.454 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 11 25.177 9.244 5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 11 24.657 7.469 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.565 6.704 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 11 25.474 6.298 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.570 7.085 5.400 1.00 0.00 H new ATOM 0 HE ARG A 11 25.189 4.462 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.801 6.738 6.650 1.00 0.00 H new ATOM 0 HH12 ARG A 11 28.582 5.619 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 11 26.200 3.068 7.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.684 3.565 8.157 1.00 0.00 H new ATOM 185 N ARG A 12 22.689 9.114 8.062 1.00 0.00 N ATOM 186 CA ARG A 12 22.803 9.380 9.511 1.00 0.00 C ATOM 187 C ARG A 12 22.782 8.060 10.298 1.00 0.00 C ATOM 188 O ARG A 12 22.400 7.011 9.765 1.00 0.00 O ATOM 189 CB ARG A 12 21.665 10.323 10.001 1.00 0.00 C ATOM 190 CG ARG A 12 20.265 9.675 10.121 1.00 0.00 C ATOM 191 CD ARG A 12 19.173 10.683 10.519 1.00 0.00 C ATOM 192 NE ARG A 12 19.523 11.443 11.729 1.00 0.00 N ATOM 193 CZ ARG A 12 19.052 12.659 12.047 1.00 0.00 C ATOM 194 NH1 ARG A 12 18.169 13.275 11.269 1.00 0.00 N ATOM 195 NH2 ARG A 12 19.459 13.237 13.158 1.00 0.00 N ATOM 0 H ARG A 12 22.202 8.245 7.842 1.00 0.00 H new ATOM 0 HA ARG A 12 23.754 9.882 9.689 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.944 10.725 10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.597 11.168 9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.999 9.216 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.302 8.876 10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.004 11.376 9.695 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.236 10.152 10.686 1.00 0.00 H new ATOM 0 HE ARG A 12 20.178 11.010 12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.839 12.824 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.821 14.199 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.125 12.761 13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.108 14.161 13.410 1.00 0.00 H new ATOM 209 N VAL A 13 23.216 8.125 11.571 1.00 0.00 N ATOM 210 CA VAL A 13 23.179 6.992 12.512 1.00 0.00 C ATOM 211 C VAL A 13 22.259 7.349 13.700 1.00 0.00 C ATOM 212 O VAL A 13 22.549 8.283 14.455 1.00 0.00 O ATOM 213 CB VAL A 13 24.620 6.606 13.022 1.00 0.00 C ATOM 214 CG1 VAL A 13 24.569 5.428 14.034 1.00 0.00 C ATOM 215 CG2 VAL A 13 25.559 6.276 11.831 1.00 0.00 C ATOM 0 H VAL A 13 23.606 8.975 11.978 1.00 0.00 H new ATOM 0 HA VAL A 13 22.783 6.122 11.989 1.00 0.00 H new ATOM 0 HB VAL A 13 25.027 7.471 13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.580 5.188 14.365 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.964 5.713 14.894 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.128 4.555 13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.547 6.013 12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.151 5.437 11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.640 7.146 11.179 1.00 0.00 H new ATOM 225 N VAL A 14 21.139 6.610 13.832 1.00 0.00 N ATOM 226 CA VAL A 14 20.113 6.828 14.875 1.00 0.00 C ATOM 227 C VAL A 14 20.044 5.590 15.796 1.00 0.00 C ATOM 228 O VAL A 14 19.626 4.516 15.354 1.00 0.00 O ATOM 229 CB VAL A 14 18.695 7.090 14.224 1.00 0.00 C ATOM 230 CG1 VAL A 14 17.581 7.254 15.291 1.00 0.00 C ATOM 231 CG2 VAL A 14 18.734 8.315 13.274 1.00 0.00 C ATOM 0 H VAL A 14 20.917 5.834 13.209 1.00 0.00 H new ATOM 0 HA VAL A 14 20.390 7.706 15.458 1.00 0.00 H new ATOM 0 HB VAL A 14 18.449 6.206 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.626 7.432 14.796 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.515 6.346 15.891 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.818 8.099 15.937 1.00 0.00 H new ATOM 0 HG21 VAL A 14 17.746 8.471 12.841 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.028 9.202 13.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.455 8.134 12.477 1.00 0.00 H new ATOM 241 N ASN A 15 20.508 5.739 17.059 1.00 0.00 N ATOM 242 CA ASN A 15 20.479 4.664 18.101 1.00 0.00 C ATOM 243 C ASN A 15 21.300 3.409 17.696 1.00 0.00 C ATOM 244 O ASN A 15 21.133 2.332 18.279 1.00 0.00 O ATOM 245 CB ASN A 15 19.010 4.266 18.461 1.00 0.00 C ATOM 246 CG ASN A 15 18.225 5.393 19.132 1.00 0.00 C ATOM 247 OD1 ASN A 15 17.592 6.211 18.469 1.00 0.00 O ATOM 248 ND2 ASN A 15 18.266 5.457 20.455 1.00 0.00 N ATOM 0 H ASN A 15 20.917 6.611 17.394 1.00 0.00 H new ATOM 0 HA ASN A 15 20.956 5.084 18.987 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.490 3.962 17.552 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.027 3.400 19.123 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.765 6.198 20.946 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.799 4.766 20.983 1.00 0.00 H new ATOM 255 N GLY A 16 22.198 3.575 16.706 1.00 0.00 N ATOM 256 CA GLY A 16 23.027 2.478 16.189 1.00 0.00 C ATOM 257 C GLY A 16 22.676 2.076 14.758 1.00 0.00 C ATOM 258 O GLY A 16 23.527 1.533 14.046 1.00 0.00 O ATOM 0 H GLY A 16 22.366 4.470 16.247 1.00 0.00 H new ATOM 0 HA2 GLY A 16 24.075 2.775 16.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.916 1.611 16.840 1.00 0.00 H new ATOM 262 N LYS A 17 21.425 2.351 14.332 1.00 0.00 N ATOM 263 CA LYS A 17 20.943 2.010 12.972 1.00 0.00 C ATOM 264 C LYS A 17 21.400 3.091 11.968 1.00 0.00 C ATOM 265 O LYS A 17 21.905 4.137 12.375 1.00 0.00 O ATOM 266 CB LYS A 17 19.386 1.859 12.952 1.00 0.00 C ATOM 267 CG LYS A 17 18.585 3.170 12.720 1.00 0.00 C ATOM 268 CD LYS A 17 17.057 2.994 12.919 1.00 0.00 C ATOM 269 CE LYS A 17 16.486 1.833 12.093 1.00 0.00 C ATOM 270 NZ LYS A 17 15.019 1.698 12.224 1.00 0.00 N ATOM 0 H LYS A 17 20.725 2.811 14.913 1.00 0.00 H new ATOM 0 HA LYS A 17 21.373 1.052 12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.118 1.148 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.069 1.424 13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 17 18.948 3.936 13.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 18.774 3.530 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.849 2.821 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 17 16.549 3.918 12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.739 1.982 11.043 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.960 0.903 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.708 0.822 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.762 1.663 13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.554 2.513 11.776 1.00 0.00 H new ATOM 284 N VAL A 18 21.208 2.844 10.656 1.00 0.00 N ATOM 285 CA VAL A 18 21.591 3.793 9.588 1.00 0.00 C ATOM 286 C VAL A 18 20.350 4.194 8.760 1.00 0.00 C ATOM 287 O VAL A 18 19.718 3.344 8.124 1.00 0.00 O ATOM 288 CB VAL A 18 22.694 3.185 8.643 1.00 0.00 C ATOM 289 CG1 VAL A 18 23.078 4.179 7.519 1.00 0.00 C ATOM 290 CG2 VAL A 18 23.950 2.744 9.443 1.00 0.00 C ATOM 0 H VAL A 18 20.785 1.984 10.307 1.00 0.00 H new ATOM 0 HA VAL A 18 22.008 4.679 10.066 1.00 0.00 H new ATOM 0 HB VAL A 18 22.268 2.296 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 18 23.841 3.731 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 18 22.197 4.410 6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 18 23.467 5.096 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.690 2.329 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 18 24.375 3.606 9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.668 1.987 10.175 1.00 0.00 H new ATOM 300 N GLU A 19 20.022 5.502 8.767 1.00 0.00 N ATOM 301 CA GLU A 19 18.901 6.073 7.991 1.00 0.00 C ATOM 302 C GLU A 19 19.426 6.964 6.854 1.00 0.00 C ATOM 303 O GLU A 19 20.513 7.535 6.947 1.00 0.00 O ATOM 304 CB GLU A 19 17.940 6.856 8.922 1.00 0.00 C ATOM 305 CG GLU A 19 17.250 5.975 9.995 1.00 0.00 C ATOM 306 CD GLU A 19 16.228 6.717 10.872 1.00 0.00 C ATOM 307 OE1 GLU A 19 15.611 7.692 10.395 1.00 0.00 O ATOM 308 OE2 GLU A 19 16.021 6.316 12.039 1.00 0.00 O ATOM 0 H GLU A 19 20.530 6.197 9.314 1.00 0.00 H new ATOM 0 HA GLU A 19 18.339 5.255 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.498 7.649 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.174 7.339 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.748 5.146 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.016 5.543 10.639 1.00 0.00 H new ATOM 315 N TYR A 20 18.629 7.062 5.778 1.00 0.00 N ATOM 316 CA TYR A 20 18.971 7.796 4.545 1.00 0.00 C ATOM 317 C TYR A 20 17.809 8.730 4.172 1.00 0.00 C ATOM 318 O TYR A 20 16.670 8.274 4.067 1.00 0.00 O ATOM 319 CB TYR A 20 19.224 6.805 3.370 1.00 0.00 C ATOM 320 CG TYR A 20 20.463 5.906 3.529 1.00 0.00 C ATOM 321 CD1 TYR A 20 20.403 4.690 4.214 1.00 0.00 C ATOM 322 CD2 TYR A 20 21.695 6.278 2.991 1.00 0.00 C ATOM 323 CE1 TYR A 20 21.524 3.896 4.349 1.00 0.00 C ATOM 324 CE2 TYR A 20 22.808 5.483 3.124 1.00 0.00 C ATOM 325 CZ TYR A 20 22.721 4.298 3.805 1.00 0.00 C ATOM 326 OH TYR A 20 23.840 3.514 3.945 1.00 0.00 O ATOM 0 H TYR A 20 17.709 6.624 5.738 1.00 0.00 H new ATOM 0 HA TYR A 20 19.878 8.374 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 20 18.346 6.170 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 20 19.326 7.377 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 20 19.467 4.367 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 20 21.776 7.213 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 20 21.461 2.959 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.749 5.792 2.693 1.00 0.00 H new ATOM 0 HH TYR A 20 24.599 3.945 3.500 1.00 0.00 H new ATOM 336 N PHE A 21 18.097 10.031 3.970 1.00 0.00 N ATOM 337 CA PHE A 21 17.072 11.015 3.581 1.00 0.00 C ATOM 338 C PHE A 21 16.786 10.864 2.090 1.00 0.00 C ATOM 339 O PHE A 21 17.632 11.184 1.249 1.00 0.00 O ATOM 340 CB PHE A 21 17.529 12.461 3.916 1.00 0.00 C ATOM 341 CG PHE A 21 16.425 13.509 3.791 1.00 0.00 C ATOM 342 CD1 PHE A 21 15.221 13.354 4.479 1.00 0.00 C ATOM 343 CD2 PHE A 21 16.580 14.638 2.991 1.00 0.00 C ATOM 344 CE1 PHE A 21 14.213 14.290 4.370 1.00 0.00 C ATOM 345 CE2 PHE A 21 15.570 15.571 2.882 1.00 0.00 C ATOM 346 CZ PHE A 21 14.386 15.400 3.571 1.00 0.00 C ATOM 0 H PHE A 21 19.033 10.423 4.070 1.00 0.00 H new ATOM 0 HA PHE A 21 16.159 10.828 4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.920 12.480 4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.351 12.734 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 21 15.076 12.487 5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.503 14.785 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.288 14.153 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.706 16.439 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.598 16.133 3.484 1.00 0.00 H new ATOM 356 N LEU A 22 15.606 10.327 1.782 1.00 0.00 N ATOM 357 CA LEU A 22 15.219 9.997 0.415 1.00 0.00 C ATOM 358 C LEU A 22 14.518 11.176 -0.246 1.00 0.00 C ATOM 359 O LEU A 22 13.507 11.656 0.265 1.00 0.00 O ATOM 360 CB LEU A 22 14.268 8.782 0.402 1.00 0.00 C ATOM 361 CG LEU A 22 14.833 7.434 0.942 1.00 0.00 C ATOM 362 CD1 LEU A 22 13.837 6.300 0.643 1.00 0.00 C ATOM 363 CD2 LEU A 22 16.248 7.116 0.386 1.00 0.00 C ATOM 0 H LEU A 22 14.891 10.109 2.476 1.00 0.00 H new ATOM 0 HA LEU A 22 16.127 9.758 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.385 9.037 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.936 8.623 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 22 14.952 7.526 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.234 5.358 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.885 6.514 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.685 6.223 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.594 6.166 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.205 7.050 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.939 7.908 0.674 1.00 0.00 H new ATOM 375 N LYS A 23 15.066 11.638 -1.381 1.00 0.00 N ATOM 376 CA LYS A 23 14.329 12.500 -2.301 1.00 0.00 C ATOM 377 C LYS A 23 13.415 11.579 -3.115 1.00 0.00 C ATOM 378 O LYS A 23 13.878 10.940 -4.058 1.00 0.00 O ATOM 379 CB LYS A 23 15.279 13.319 -3.253 1.00 0.00 C ATOM 380 CG LYS A 23 14.834 14.786 -3.521 1.00 0.00 C ATOM 381 CD LYS A 23 13.387 14.947 -4.066 1.00 0.00 C ATOM 382 CE LYS A 23 13.218 14.503 -5.528 1.00 0.00 C ATOM 383 NZ LYS A 23 11.840 14.762 -6.012 1.00 0.00 N ATOM 0 H LYS A 23 16.018 11.425 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 23 13.763 13.244 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.279 13.332 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.351 12.797 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.921 15.351 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.526 15.235 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.707 14.369 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.090 15.992 -3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.933 15.034 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.443 13.440 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.838 14.796 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.210 14.000 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.505 15.671 -5.635 1.00 0.00 H new ATOM 397 N TRP A 24 12.154 11.461 -2.698 1.00 0.00 N ATOM 398 CA TRP A 24 11.168 10.626 -3.393 1.00 0.00 C ATOM 399 C TRP A 24 10.838 11.227 -4.771 1.00 0.00 C ATOM 400 O TRP A 24 10.633 12.439 -4.881 1.00 0.00 O ATOM 401 CB TRP A 24 9.873 10.504 -2.564 1.00 0.00 C ATOM 402 CG TRP A 24 10.034 9.890 -1.195 1.00 0.00 C ATOM 403 CD1 TRP A 24 10.164 10.550 -0.010 1.00 0.00 C ATOM 404 CD2 TRP A 24 10.065 8.495 -0.877 1.00 0.00 C ATOM 405 NE1 TRP A 24 10.244 9.660 1.021 1.00 0.00 N ATOM 406 CE2 TRP A 24 10.199 8.391 0.514 1.00 0.00 C ATOM 407 CE3 TRP A 24 10.000 7.324 -1.636 1.00 0.00 C ATOM 408 CZ2 TRP A 24 10.249 7.168 1.166 1.00 0.00 C ATOM 409 CZ3 TRP A 24 10.054 6.107 -0.986 1.00 0.00 C ATOM 410 CH2 TRP A 24 10.178 6.038 0.404 1.00 0.00 C ATOM 0 H TRP A 24 11.787 11.937 -1.874 1.00 0.00 H new ATOM 0 HA TRP A 24 11.599 9.633 -3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.441 11.498 -2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.156 9.908 -3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.199 11.624 0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 24 10.324 9.902 2.009 1.00 0.00 H new ATOM 0 HE3 TRP A 24 9.909 7.370 -2.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.341 7.112 2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.000 5.194 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.218 5.072 0.885 1.00 0.00 H new ATOM 421 N LYS A 25 10.791 10.370 -5.806 1.00 0.00 N ATOM 422 CA LYS A 25 10.387 10.772 -7.162 1.00 0.00 C ATOM 423 C LYS A 25 8.879 11.085 -7.161 1.00 0.00 C ATOM 424 O LYS A 25 8.095 10.300 -6.620 1.00 0.00 O ATOM 425 CB LYS A 25 10.708 9.631 -8.170 1.00 0.00 C ATOM 426 CG LYS A 25 10.286 9.919 -9.630 1.00 0.00 C ATOM 427 CD LYS A 25 10.494 8.713 -10.571 1.00 0.00 C ATOM 428 CE LYS A 25 11.976 8.331 -10.751 1.00 0.00 C ATOM 429 NZ LYS A 25 12.737 9.387 -11.459 1.00 0.00 N ATOM 0 H LYS A 25 11.032 9.382 -5.725 1.00 0.00 H new ATOM 0 HA LYS A 25 10.939 11.662 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.780 9.437 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.212 8.720 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.235 10.209 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.857 10.768 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.950 7.855 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.064 8.943 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.426 8.152 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.045 7.397 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.712 9.063 -11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.283 9.588 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.750 10.252 -10.881 1.00 0.00 H new ATOM 443 N GLY A 26 8.492 12.243 -7.729 1.00 0.00 N ATOM 444 CA GLY A 26 7.089 12.683 -7.780 1.00 0.00 C ATOM 445 C GLY A 26 6.683 13.518 -6.566 1.00 0.00 C ATOM 446 O GLY A 26 5.900 14.471 -6.687 1.00 0.00 O ATOM 0 H GLY A 26 9.143 12.897 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.929 13.267 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.441 11.809 -7.846 1.00 0.00 H new ATOM 450 N PHE A 27 7.241 13.169 -5.395 1.00 0.00 N ATOM 451 CA PHE A 27 6.947 13.844 -4.116 1.00 0.00 C ATOM 452 C PHE A 27 7.954 14.986 -3.883 1.00 0.00 C ATOM 453 O PHE A 27 9.134 14.868 -4.254 1.00 0.00 O ATOM 454 CB PHE A 27 6.988 12.825 -2.951 1.00 0.00 C ATOM 455 CG PHE A 27 6.067 11.615 -3.155 1.00 0.00 C ATOM 456 CD1 PHE A 27 4.741 11.639 -2.723 1.00 0.00 C ATOM 457 CD2 PHE A 27 6.526 10.458 -3.784 1.00 0.00 C ATOM 458 CE1 PHE A 27 3.911 10.549 -2.911 1.00 0.00 C ATOM 459 CE2 PHE A 27 5.698 9.372 -3.971 1.00 0.00 C ATOM 460 CZ PHE A 27 4.389 9.417 -3.534 1.00 0.00 C ATOM 0 H PHE A 27 7.913 12.407 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 27 5.945 14.270 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.012 12.473 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.708 13.332 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.357 12.522 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.548 10.412 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.887 10.585 -2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.073 8.485 -4.460 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.741 8.566 -3.680 1.00 0.00 H new ATOM 470 N THR A 28 7.472 16.083 -3.269 1.00 0.00 N ATOM 471 CA THR A 28 8.248 17.322 -3.071 1.00 0.00 C ATOM 472 C THR A 28 9.317 17.167 -1.973 1.00 0.00 C ATOM 473 O THR A 28 9.246 16.242 -1.153 1.00 0.00 O ATOM 474 CB THR A 28 7.297 18.521 -2.731 1.00 0.00 C ATOM 475 OG1 THR A 28 6.502 18.206 -1.574 1.00 0.00 O ATOM 476 CG2 THR A 28 6.373 18.869 -3.920 1.00 0.00 C ATOM 0 H THR A 28 6.525 16.135 -2.893 1.00 0.00 H new ATOM 0 HA THR A 28 8.765 17.529 -4.008 1.00 0.00 H new ATOM 0 HB THR A 28 7.920 19.391 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.912 18.961 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.728 19.705 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.979 19.145 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.759 18.003 -4.169 1.00 0.00 H new ATOM 484 N ASP A 29 10.285 18.110 -1.968 1.00 0.00 N ATOM 485 CA ASP A 29 11.407 18.134 -1.004 1.00 0.00 C ATOM 486 C ASP A 29 10.899 18.231 0.447 1.00 0.00 C ATOM 487 O ASP A 29 11.498 17.671 1.372 1.00 0.00 O ATOM 488 CB ASP A 29 12.382 19.308 -1.316 1.00 0.00 C ATOM 489 CG ASP A 29 11.762 20.697 -1.092 1.00 0.00 C ATOM 490 OD1 ASP A 29 10.850 21.073 -1.853 1.00 0.00 O ATOM 491 OD2 ASP A 29 12.147 21.396 -0.138 1.00 0.00 O ATOM 0 H ASP A 29 10.310 18.880 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 29 11.950 17.195 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.269 19.209 -0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.713 19.229 -2.352 1.00 0.00 H new ATOM 496 N ALA A 30 9.776 18.947 0.620 1.00 0.00 N ATOM 497 CA ALA A 30 9.119 19.141 1.925 1.00 0.00 C ATOM 498 C ALA A 30 8.365 17.871 2.384 1.00 0.00 C ATOM 499 O ALA A 30 8.203 17.642 3.589 1.00 0.00 O ATOM 500 CB ALA A 30 8.161 20.335 1.835 1.00 0.00 C ATOM 0 H ALA A 30 9.293 19.412 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 30 9.888 19.342 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.672 20.483 2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.721 21.232 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.407 20.140 1.072 1.00 0.00 H new ATOM 506 N ASP A 31 7.908 17.063 1.413 1.00 0.00 N ATOM 507 CA ASP A 31 7.157 15.822 1.674 1.00 0.00 C ATOM 508 C ASP A 31 8.111 14.614 1.845 1.00 0.00 C ATOM 509 O ASP A 31 7.691 13.543 2.298 1.00 0.00 O ATOM 510 CB ASP A 31 6.129 15.582 0.531 1.00 0.00 C ATOM 511 CG ASP A 31 5.161 14.403 0.778 1.00 0.00 C ATOM 512 OD1 ASP A 31 4.593 14.299 1.886 1.00 0.00 O ATOM 513 OD2 ASP A 31 4.966 13.578 -0.131 1.00 0.00 O ATOM 0 H ASP A 31 8.049 17.252 0.421 1.00 0.00 H new ATOM 0 HA ASP A 31 6.613 15.930 2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.545 16.491 0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.672 15.402 -0.397 1.00 0.00 H new ATOM 518 N ASN A 32 9.410 14.797 1.495 1.00 0.00 N ATOM 519 CA ASN A 32 10.442 13.741 1.648 1.00 0.00 C ATOM 520 C ASN A 32 10.663 13.348 3.120 1.00 0.00 C ATOM 521 O ASN A 32 10.367 14.127 4.030 1.00 0.00 O ATOM 522 CB ASN A 32 11.776 14.174 0.994 1.00 0.00 C ATOM 523 CG ASN A 32 11.701 14.372 -0.524 1.00 0.00 C ATOM 524 OD1 ASN A 32 12.480 15.125 -1.086 1.00 0.00 O ATOM 525 ND2 ASN A 32 10.774 13.701 -1.211 1.00 0.00 N ATOM 0 H ASN A 32 9.767 15.669 1.104 1.00 0.00 H new ATOM 0 HA ASN A 32 10.069 12.857 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.107 15.105 1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.535 13.423 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.708 13.813 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.131 13.076 -0.724 1.00 0.00 H new ATOM 532 N THR A 33 11.198 12.131 3.338 1.00 0.00 N ATOM 533 CA THR A 33 11.335 11.527 4.685 1.00 0.00 C ATOM 534 C THR A 33 12.643 10.706 4.806 1.00 0.00 C ATOM 535 O THR A 33 13.199 10.238 3.798 1.00 0.00 O ATOM 536 CB THR A 33 10.093 10.604 5.013 1.00 0.00 C ATOM 537 OG1 THR A 33 9.750 9.825 3.857 1.00 0.00 O ATOM 538 CG2 THR A 33 8.848 11.393 5.468 1.00 0.00 C ATOM 0 H THR A 33 11.549 11.536 2.587 1.00 0.00 H new ATOM 0 HA THR A 33 11.373 12.344 5.406 1.00 0.00 H new ATOM 0 HB THR A 33 10.395 9.965 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.852 8.872 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.034 10.699 5.677 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.084 11.957 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.545 12.081 4.679 1.00 0.00 H new ATOM 546 N TRP A 34 13.131 10.570 6.058 1.00 0.00 N ATOM 547 CA TRP A 34 14.260 9.687 6.410 1.00 0.00 C ATOM 548 C TRP A 34 13.765 8.237 6.468 1.00 0.00 C ATOM 549 O TRP A 34 12.813 7.938 7.204 1.00 0.00 O ATOM 550 CB TRP A 34 14.870 10.066 7.789 1.00 0.00 C ATOM 551 CG TRP A 34 15.630 11.368 7.812 1.00 0.00 C ATOM 552 CD1 TRP A 34 15.145 12.608 8.116 1.00 0.00 C ATOM 553 CD2 TRP A 34 17.022 11.540 7.526 1.00 0.00 C ATOM 554 NE1 TRP A 34 16.149 13.533 8.036 1.00 0.00 N ATOM 555 CE2 TRP A 34 17.308 12.907 7.672 1.00 0.00 C ATOM 556 CE3 TRP A 34 18.050 10.667 7.155 1.00 0.00 C ATOM 557 CZ2 TRP A 34 18.584 13.421 7.473 1.00 0.00 C ATOM 558 CZ3 TRP A 34 19.318 11.180 6.946 1.00 0.00 C ATOM 559 CH2 TRP A 34 19.571 12.546 7.104 1.00 0.00 C ATOM 0 H TRP A 34 12.748 11.075 6.858 1.00 0.00 H new ATOM 0 HA TRP A 34 15.032 9.802 5.649 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.066 10.119 8.523 1.00 0.00 H new ATOM 0 HB3 TRP A 34 15.539 9.266 8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.121 12.826 8.380 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.049 14.531 8.219 1.00 0.00 H new ATOM 0 HE3 TRP A 34 17.857 9.611 7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 18.790 14.473 7.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 20.121 10.518 6.658 1.00 0.00 H new ATOM 0 HH2 TRP A 34 20.569 12.920 6.931 1.00 0.00 H new ATOM 570 N GLU A 35 14.397 7.340 5.689 1.00 0.00 N ATOM 571 CA GLU A 35 14.087 5.905 5.703 1.00 0.00 C ATOM 572 C GLU A 35 15.350 5.078 5.984 1.00 0.00 C ATOM 573 O GLU A 35 16.364 5.263 5.300 1.00 0.00 O ATOM 574 CB GLU A 35 13.459 5.445 4.362 1.00 0.00 C ATOM 575 CG GLU A 35 12.178 6.195 3.934 1.00 0.00 C ATOM 576 CD GLU A 35 11.051 6.224 4.988 1.00 0.00 C ATOM 577 OE1 GLU A 35 11.010 5.362 5.888 1.00 0.00 O ATOM 578 OE2 GLU A 35 10.187 7.114 4.915 1.00 0.00 O ATOM 0 H GLU A 35 15.136 7.593 5.033 1.00 0.00 H new ATOM 0 HA GLU A 35 13.362 5.741 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.205 5.557 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.229 4.382 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.444 7.221 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.792 5.733 3.025 1.00 0.00 H new ATOM 585 N PRO A 36 15.301 4.126 6.969 1.00 0.00 N ATOM 586 CA PRO A 36 16.447 3.234 7.280 1.00 0.00 C ATOM 587 C PRO A 36 16.749 2.258 6.121 1.00 0.00 C ATOM 588 O PRO A 36 15.883 2.003 5.279 1.00 0.00 O ATOM 589 CB PRO A 36 15.987 2.501 8.561 1.00 0.00 C ATOM 590 CG PRO A 36 14.490 2.534 8.515 1.00 0.00 C ATOM 591 CD PRO A 36 14.126 3.837 7.844 1.00 0.00 C ATOM 0 HA PRO A 36 17.383 3.775 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.358 1.476 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 36 16.365 2.996 9.456 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.097 1.684 7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.067 2.479 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.208 3.746 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.965 4.631 8.573 1.00 0.00 H new ATOM 599 N GLU A 37 17.979 1.713 6.103 1.00 0.00 N ATOM 600 CA GLU A 37 18.465 0.819 5.021 1.00 0.00 C ATOM 601 C GLU A 37 17.680 -0.513 4.946 1.00 0.00 C ATOM 602 O GLU A 37 17.616 -1.143 3.879 1.00 0.00 O ATOM 603 CB GLU A 37 20.013 0.605 5.140 1.00 0.00 C ATOM 604 CG GLU A 37 20.568 0.220 6.540 1.00 0.00 C ATOM 605 CD GLU A 37 20.189 -1.192 7.011 1.00 0.00 C ATOM 606 OE1 GLU A 37 20.679 -2.177 6.417 1.00 0.00 O ATOM 607 OE2 GLU A 37 19.382 -1.329 7.954 1.00 0.00 O ATOM 0 H GLU A 37 18.669 1.876 6.836 1.00 0.00 H new ATOM 0 HA GLU A 37 18.272 1.316 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.302 -0.175 4.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 20.507 1.523 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 37 21.655 0.303 6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.206 0.942 7.271 1.00 0.00 H new ATOM 614 N GLU A 38 17.083 -0.917 6.085 1.00 0.00 N ATOM 615 CA GLU A 38 16.196 -2.100 6.180 1.00 0.00 C ATOM 616 C GLU A 38 14.926 -1.898 5.324 1.00 0.00 C ATOM 617 O GLU A 38 14.375 -2.852 4.768 1.00 0.00 O ATOM 618 CB GLU A 38 15.816 -2.354 7.673 1.00 0.00 C ATOM 619 CG GLU A 38 15.019 -1.209 8.333 1.00 0.00 C ATOM 620 CD GLU A 38 14.619 -1.482 9.791 1.00 0.00 C ATOM 621 OE1 GLU A 38 13.706 -2.301 10.021 1.00 0.00 O ATOM 622 OE2 GLU A 38 15.192 -0.870 10.708 1.00 0.00 O ATOM 0 H GLU A 38 17.202 -0.430 6.973 1.00 0.00 H new ATOM 0 HA GLU A 38 16.727 -2.971 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.230 -3.271 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.729 -2.521 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.615 -0.297 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.118 -1.024 7.749 1.00 0.00 H new ATOM 629 N ASN A 39 14.500 -0.632 5.214 1.00 0.00 N ATOM 630 CA ASN A 39 13.236 -0.231 4.583 1.00 0.00 C ATOM 631 C ASN A 39 13.436 0.087 3.078 1.00 0.00 C ATOM 632 O ASN A 39 12.456 0.203 2.321 1.00 0.00 O ATOM 633 CB ASN A 39 12.696 1.001 5.364 1.00 0.00 C ATOM 634 CG ASN A 39 11.241 1.354 5.091 1.00 0.00 C ATOM 635 OD1 ASN A 39 10.433 0.497 4.739 1.00 0.00 O ATOM 636 ND2 ASN A 39 10.898 2.607 5.281 1.00 0.00 N ATOM 0 H ASN A 39 15.037 0.159 5.569 1.00 0.00 H new ATOM 0 HA ASN A 39 12.513 -1.046 4.626 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.814 0.815 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.315 1.865 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.931 2.899 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.598 3.289 5.573 1.00 0.00 H new ATOM 643 N LEU A 40 14.716 0.216 2.655 1.00 0.00 N ATOM 644 CA LEU A 40 15.086 0.550 1.262 1.00 0.00 C ATOM 645 C LEU A 40 15.168 -0.721 0.414 1.00 0.00 C ATOM 646 O LEU A 40 15.946 -1.623 0.735 1.00 0.00 O ATOM 647 CB LEU A 40 16.452 1.301 1.203 1.00 0.00 C ATOM 648 CG LEU A 40 16.617 2.529 2.151 1.00 0.00 C ATOM 649 CD1 LEU A 40 17.905 3.324 1.855 1.00 0.00 C ATOM 650 CD2 LEU A 40 15.385 3.438 2.114 1.00 0.00 C ATOM 0 H LEU A 40 15.520 0.091 3.271 1.00 0.00 H new ATOM 0 HA LEU A 40 14.312 1.206 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 40 17.243 0.587 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 40 16.611 1.638 0.179 1.00 0.00 H new ATOM 0 HG LEU A 40 16.709 2.134 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.976 4.169 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.771 2.676 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 17.879 3.690 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.536 4.283 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.234 3.805 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 14.507 2.874 2.431 1.00 0.00 H new ATOM 662 N ASP A 41 14.361 -0.797 -0.658 1.00 0.00 N ATOM 663 CA ASP A 41 14.438 -1.899 -1.637 1.00 0.00 C ATOM 664 C ASP A 41 15.546 -1.607 -2.658 1.00 0.00 C ATOM 665 O ASP A 41 16.170 -2.528 -3.184 1.00 0.00 O ATOM 666 CB ASP A 41 13.079 -2.099 -2.357 1.00 0.00 C ATOM 667 CG ASP A 41 13.114 -3.209 -3.434 1.00 0.00 C ATOM 668 OD1 ASP A 41 13.041 -4.400 -3.069 1.00 0.00 O ATOM 669 OD2 ASP A 41 13.238 -2.894 -4.644 1.00 0.00 O ATOM 0 H ASP A 41 13.643 -0.104 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 41 14.674 -2.821 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.317 -2.344 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.781 -1.160 -2.823 1.00 0.00 H new ATOM 674 N CYS A 42 15.772 -0.308 -2.906 1.00 0.00 N ATOM 675 CA CYS A 42 16.747 0.203 -3.881 1.00 0.00 C ATOM 676 C CYS A 42 18.207 0.150 -3.336 1.00 0.00 C ATOM 677 O CYS A 42 18.561 0.948 -2.461 1.00 0.00 O ATOM 678 CB CYS A 42 16.353 1.653 -4.214 1.00 0.00 C ATOM 679 SG CYS A 42 16.191 2.738 -2.774 1.00 0.00 S ATOM 0 H CYS A 42 15.269 0.435 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 42 16.728 -0.424 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.100 2.073 -4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 42 15.406 1.644 -4.754 1.00 0.00 H new ATOM 0 HG CYS A 42 17.236 2.607 -2.012 1.00 0.00 H new ATOM 685 N PRO A 43 19.078 -0.802 -3.820 1.00 0.00 N ATOM 686 CA PRO A 43 20.511 -0.851 -3.432 1.00 0.00 C ATOM 687 C PRO A 43 21.410 0.018 -4.332 1.00 0.00 C ATOM 688 O PRO A 43 22.528 0.362 -3.947 1.00 0.00 O ATOM 689 CB PRO A 43 20.844 -2.347 -3.583 1.00 0.00 C ATOM 690 CG PRO A 43 20.006 -2.798 -4.741 1.00 0.00 C ATOM 691 CD PRO A 43 18.741 -1.946 -4.726 1.00 0.00 C ATOM 0 HA PRO A 43 20.686 -0.454 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 43 21.906 -2.501 -3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.602 -2.902 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 43 20.545 -2.674 -5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 43 19.761 -3.856 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 43 18.483 -1.599 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.886 -2.510 -4.354 1.00 0.00 H new ATOM 699 N GLU A 44 20.897 0.374 -5.527 1.00 0.00 N ATOM 700 CA GLU A 44 21.653 1.110 -6.555 1.00 0.00 C ATOM 701 C GLU A 44 21.789 2.592 -6.164 1.00 0.00 C ATOM 702 O GLU A 44 22.821 3.212 -6.421 1.00 0.00 O ATOM 703 CB GLU A 44 20.951 0.964 -7.929 1.00 0.00 C ATOM 704 CG GLU A 44 21.690 1.598 -9.125 1.00 0.00 C ATOM 705 CD GLU A 44 20.912 1.472 -10.442 1.00 0.00 C ATOM 706 OE1 GLU A 44 20.775 0.340 -10.956 1.00 0.00 O ATOM 707 OE2 GLU A 44 20.413 2.492 -10.962 1.00 0.00 O ATOM 0 H GLU A 44 19.940 0.157 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 44 22.655 0.688 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.809 -0.097 -8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 44 19.959 1.411 -7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.872 2.652 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 44 22.664 1.122 -9.237 1.00 0.00 H new ATOM 714 N LEU A 45 20.727 3.147 -5.534 1.00 0.00 N ATOM 715 CA LEU A 45 20.752 4.524 -4.990 1.00 0.00 C ATOM 716 C LEU A 45 21.724 4.634 -3.811 1.00 0.00 C ATOM 717 O LEU A 45 22.431 5.634 -3.683 1.00 0.00 O ATOM 718 CB LEU A 45 19.343 4.990 -4.555 1.00 0.00 C ATOM 719 CG LEU A 45 18.304 5.181 -5.695 1.00 0.00 C ATOM 720 CD1 LEU A 45 16.978 5.728 -5.132 1.00 0.00 C ATOM 721 CD2 LEU A 45 18.865 6.081 -6.824 1.00 0.00 C ATOM 0 H LEU A 45 19.842 2.661 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 45 21.096 5.177 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.945 4.264 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 45 19.444 5.935 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 45 18.100 4.206 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 45 16.263 5.855 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.576 5.026 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.156 6.690 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.114 6.195 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 19.117 7.060 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.760 5.622 -7.245 1.00 0.00 H new ATOM 733 N ILE A 46 21.742 3.591 -2.954 1.00 0.00 N ATOM 734 CA ILE A 46 22.678 3.517 -1.812 1.00 0.00 C ATOM 735 C ILE A 46 24.122 3.464 -2.345 1.00 0.00 C ATOM 736 O ILE A 46 24.968 4.237 -1.917 1.00 0.00 O ATOM 737 CB ILE A 46 22.401 2.265 -0.889 1.00 0.00 C ATOM 738 CG1 ILE A 46 20.917 2.267 -0.388 1.00 0.00 C ATOM 739 CG2 ILE A 46 23.396 2.210 0.307 1.00 0.00 C ATOM 740 CD1 ILE A 46 20.521 1.053 0.447 1.00 0.00 C ATOM 0 H ILE A 46 21.118 2.788 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 46 22.530 4.407 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 46 22.559 1.367 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.749 3.167 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.257 2.326 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.178 1.337 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.416 2.142 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 46 23.292 3.113 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 46 19.477 1.143 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 46 20.651 0.147 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.151 1.001 1.335 1.00 0.00 H new ATOM 752 N GLU A 47 24.347 2.582 -3.341 1.00 0.00 N ATOM 753 CA GLU A 47 25.667 2.358 -3.974 1.00 0.00 C ATOM 754 C GLU A 47 26.215 3.653 -4.596 1.00 0.00 C ATOM 755 O GLU A 47 27.335 4.063 -4.295 1.00 0.00 O ATOM 756 CB GLU A 47 25.551 1.264 -5.072 1.00 0.00 C ATOM 757 CG GLU A 47 26.844 0.997 -5.874 1.00 0.00 C ATOM 758 CD GLU A 47 26.652 -0.044 -6.993 1.00 0.00 C ATOM 759 OE1 GLU A 47 26.137 0.314 -8.077 1.00 0.00 O ATOM 760 OE2 GLU A 47 26.994 -1.228 -6.791 1.00 0.00 O ATOM 0 H GLU A 47 23.609 1.997 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 47 26.359 2.029 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.235 0.333 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.764 1.553 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.194 1.932 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.623 0.652 -5.194 1.00 0.00 H new ATOM 767 N ALA A 48 25.395 4.289 -5.455 1.00 0.00 N ATOM 768 CA ALA A 48 25.765 5.530 -6.176 1.00 0.00 C ATOM 769 C ALA A 48 26.047 6.681 -5.191 1.00 0.00 C ATOM 770 O ALA A 48 26.908 7.530 -5.434 1.00 0.00 O ATOM 771 CB ALA A 48 24.656 5.925 -7.165 1.00 0.00 C ATOM 0 H ALA A 48 24.455 3.959 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 48 26.680 5.337 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.942 6.838 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.512 5.123 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.727 6.094 -6.621 1.00 0.00 H new ATOM 777 N PHE A 49 25.305 6.674 -4.070 1.00 0.00 N ATOM 778 CA PHE A 49 25.468 7.632 -2.965 1.00 0.00 C ATOM 779 C PHE A 49 26.777 7.370 -2.177 1.00 0.00 C ATOM 780 O PHE A 49 27.434 8.317 -1.742 1.00 0.00 O ATOM 781 CB PHE A 49 24.224 7.559 -2.042 1.00 0.00 C ATOM 782 CG PHE A 49 24.360 8.300 -0.725 1.00 0.00 C ATOM 783 CD1 PHE A 49 24.421 9.692 -0.688 1.00 0.00 C ATOM 784 CD2 PHE A 49 24.450 7.603 0.476 1.00 0.00 C ATOM 785 CE1 PHE A 49 24.564 10.359 0.510 1.00 0.00 C ATOM 786 CE2 PHE A 49 24.594 8.269 1.663 1.00 0.00 C ATOM 787 CZ PHE A 49 24.651 9.644 1.685 1.00 0.00 C ATOM 0 H PHE A 49 24.565 5.992 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 49 25.548 8.639 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 49 23.366 7.961 -2.581 1.00 0.00 H new ATOM 0 HB3 PHE A 49 24.007 6.512 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.356 10.254 -1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.406 6.524 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 49 24.608 11.438 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.663 7.713 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 49 24.764 10.164 2.625 1.00 0.00 H new ATOM 797 N LEU A 50 27.155 6.087 -2.002 1.00 0.00 N ATOM 798 CA LEU A 50 28.424 5.705 -1.332 1.00 0.00 C ATOM 799 C LEU A 50 29.621 6.127 -2.211 1.00 0.00 C ATOM 800 O LEU A 50 30.656 6.564 -1.705 1.00 0.00 O ATOM 801 CB LEU A 50 28.481 4.176 -1.050 1.00 0.00 C ATOM 802 CG LEU A 50 27.392 3.595 -0.087 1.00 0.00 C ATOM 803 CD1 LEU A 50 27.504 2.060 0.017 1.00 0.00 C ATOM 804 CD2 LEU A 50 27.440 4.269 1.305 1.00 0.00 C ATOM 0 H LEU A 50 26.599 5.291 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 50 28.473 6.221 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.407 3.652 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 50 29.461 3.944 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 50 26.417 3.825 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.735 1.684 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.368 1.618 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 28.488 1.792 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.669 3.839 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.419 4.104 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 27.266 5.340 1.197 1.00 0.00 H new ATOM 816 N ASN A 51 29.430 5.998 -3.544 1.00 0.00 N ATOM 817 CA ASN A 51 30.399 6.443 -4.572 1.00 0.00 C ATOM 818 C ASN A 51 30.513 7.981 -4.578 1.00 0.00 C ATOM 819 O ASN A 51 31.550 8.528 -4.953 1.00 0.00 O ATOM 820 CB ASN A 51 29.979 5.938 -5.990 1.00 0.00 C ATOM 821 CG ASN A 51 29.842 4.411 -6.107 1.00 0.00 C ATOM 822 OD1 ASN A 51 30.513 3.651 -5.403 1.00 0.00 O ATOM 823 ND2 ASN A 51 28.978 3.953 -7.008 1.00 0.00 N ATOM 0 H ASN A 51 28.590 5.577 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 51 31.370 6.016 -4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 51 29.028 6.397 -6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 51 30.715 6.281 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 51 28.855 2.948 -7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 51 28.438 4.607 -7.575 1.00 0.00 H new ATOM 830 N SER A 52 29.420 8.668 -4.181 1.00 0.00 N ATOM 831 CA SER A 52 29.396 10.142 -4.039 1.00 0.00 C ATOM 832 C SER A 52 30.155 10.576 -2.769 1.00 0.00 C ATOM 833 O SER A 52 30.852 11.601 -2.774 1.00 0.00 O ATOM 834 CB SER A 52 27.936 10.659 -3.990 1.00 0.00 C ATOM 835 OG SER A 52 27.225 10.309 -5.168 1.00 0.00 O ATOM 0 H SER A 52 28.533 8.220 -3.951 1.00 0.00 H new ATOM 0 HA SER A 52 29.892 10.577 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 52 27.429 10.242 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 52 27.935 11.742 -3.871 1.00 0.00 H new ATOM 0 HG SER A 52 27.139 9.334 -5.221 1.00 0.00 H new ATOM 841 N GLN A 53 30.010 9.784 -1.688 1.00 0.00 N ATOM 842 CA GLN A 53 30.679 10.059 -0.403 1.00 0.00 C ATOM 843 C GLN A 53 32.192 9.825 -0.515 1.00 0.00 C ATOM 844 O GLN A 53 32.981 10.535 0.117 1.00 0.00 O ATOM 845 CB GLN A 53 30.096 9.182 0.731 1.00 0.00 C ATOM 846 CG GLN A 53 28.617 9.459 1.050 1.00 0.00 C ATOM 847 CD GLN A 53 28.098 8.607 2.205 1.00 0.00 C ATOM 848 OE1 GLN A 53 28.121 9.015 3.361 1.00 0.00 O ATOM 849 NE2 GLN A 53 27.642 7.411 1.898 1.00 0.00 N ATOM 0 H GLN A 53 29.432 8.944 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 53 30.500 11.106 -0.158 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.206 8.133 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.686 9.338 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.493 10.514 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.015 9.267 0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.636 7.101 0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.294 6.794 2.632 1.00 0.00 H new ATOM 858 N LYS A 54 32.577 8.816 -1.309 1.00 0.00 N ATOM 859 CA LYS A 54 33.976 8.420 -1.471 1.00 0.00 C ATOM 860 C LYS A 54 34.625 9.259 -2.600 1.00 0.00 C ATOM 861 O LYS A 54 34.287 9.048 -3.780 1.00 0.00 O ATOM 862 CB LYS A 54 34.078 6.890 -1.752 1.00 0.00 C ATOM 863 CG LYS A 54 35.506 6.306 -1.630 1.00 0.00 C ATOM 864 CD LYS A 54 36.121 6.507 -0.217 1.00 0.00 C ATOM 865 CE LYS A 54 35.328 5.801 0.903 1.00 0.00 C ATOM 866 NZ LYS A 54 35.857 6.133 2.250 1.00 0.00 N ATOM 867 OXT LYS A 54 35.467 10.125 -2.297 1.00 0.00 O ATOM 0 H LYS A 54 31.925 8.254 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 54 34.522 8.616 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 54 33.423 6.362 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 54 33.704 6.693 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 54 35.479 5.241 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 54 36.151 6.777 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 54 37.145 6.133 -0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 36.171 7.574 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 54 34.279 6.091 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 54 35.369 4.722 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 35.297 5.639 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 36.851 5.833 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 35.794 7.160 2.404 1.00 0.00 H new TER 881 LYS A 54 ATOM 882 N ALA B 1 18.314 -0.904 -11.741 1.00 0.00 N ATOM 883 CA ALA B 1 18.211 -1.248 -13.176 1.00 0.00 C ATOM 884 C ALA B 1 17.172 -2.356 -13.377 1.00 0.00 C ATOM 885 O ALA B 1 16.241 -2.201 -14.174 1.00 0.00 O ATOM 886 CB ALA B 1 19.579 -1.650 -13.749 1.00 0.00 C ATOM 0 H1 ALA B 1 19.219 -0.424 -11.563 1.00 0.00 H new ATOM 0 H2 ALA B 1 17.530 -0.273 -11.478 1.00 0.00 H new ATOM 0 H3 ALA B 1 18.265 -1.773 -11.171 1.00 0.00 H new ATOM 0 HA ALA B 1 17.880 -0.365 -13.723 1.00 0.00 H new ATOM 0 HB1 ALA B 1 19.473 -1.897 -14.805 1.00 0.00 H new ATOM 0 HB2 ALA B 1 20.277 -0.820 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA B 1 19.959 -2.518 -13.210 1.00 0.00 H new ATOM 894 N ARG B 2 17.344 -3.477 -12.641 1.00 0.00 N ATOM 895 CA ARG B 2 16.395 -4.607 -12.649 1.00 0.00 C ATOM 896 C ARG B 2 15.054 -4.132 -12.055 1.00 0.00 C ATOM 897 O ARG B 2 14.047 -4.026 -12.766 1.00 0.00 O ATOM 898 CB ARG B 2 17.009 -5.828 -11.877 1.00 0.00 C ATOM 899 CG ARG B 2 16.225 -7.177 -11.951 1.00 0.00 C ATOM 900 CD ARG B 2 15.012 -7.267 -11.002 1.00 0.00 C ATOM 901 NE ARG B 2 14.352 -8.582 -11.027 1.00 0.00 N ATOM 902 CZ ARG B 2 13.081 -8.824 -10.663 1.00 0.00 C ATOM 903 NH1 ARG B 2 12.252 -7.826 -10.371 1.00 0.00 N ATOM 904 NH2 ARG B 2 12.641 -10.059 -10.640 1.00 0.00 N ATOM 0 H ARG B 2 18.145 -3.621 -12.026 1.00 0.00 H new ATOM 0 HA ARG B 2 16.205 -4.948 -13.667 1.00 0.00 H new ATOM 0 HB2 ARG B 2 18.016 -5.999 -12.258 1.00 0.00 H new ATOM 0 HB3 ARG B 2 17.109 -5.551 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG B 2 15.881 -7.327 -12.974 1.00 0.00 H new ATOM 0 HG3 ARG B 2 16.910 -7.993 -11.722 1.00 0.00 H new ATOM 0 HD2 ARG B 2 15.338 -7.051 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG B 2 14.288 -6.499 -11.275 1.00 0.00 H new ATOM 0 HE ARG B 2 14.906 -9.377 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG B 2 12.578 -6.861 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG B 2 11.290 -8.026 -10.096 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.262 -10.826 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG B 2 11.678 -10.252 -10.365 1.00 0.00 H new ATOM 918 N THR B 3 15.062 -3.823 -10.748 1.00 0.00 N ATOM 919 CA THR B 3 13.905 -3.235 -10.055 1.00 0.00 C ATOM 920 C THR B 3 13.937 -1.705 -10.206 1.00 0.00 C ATOM 921 O THR B 3 15.020 -1.106 -10.352 1.00 0.00 O ATOM 922 CB THR B 3 13.886 -3.614 -8.533 1.00 0.00 C ATOM 923 OG1 THR B 3 15.130 -3.248 -7.905 1.00 0.00 O ATOM 924 CG2 THR B 3 13.629 -5.113 -8.305 1.00 0.00 C ATOM 0 H THR B 3 15.870 -3.974 -10.143 1.00 0.00 H new ATOM 0 HA THR B 3 13.001 -3.637 -10.511 1.00 0.00 H new ATOM 0 HB THR B 3 13.063 -3.057 -8.084 1.00 0.00 H new ATOM 0 HG1 THR B 3 15.101 -3.490 -6.956 1.00 0.00 H new ATOM 0 HG21 THR B 3 13.626 -5.323 -7.235 1.00 0.00 H new ATOM 0 HG22 THR B 3 12.664 -5.386 -8.731 1.00 0.00 H new ATOM 0 HG23 THR B 3 14.415 -5.694 -8.786 1.00 0.00 H new ATOM 932 N LYS B 4 12.747 -1.082 -10.204 1.00 0.00 N ATOM 933 CA LYS B 4 12.630 0.376 -10.132 1.00 0.00 C ATOM 934 C LYS B 4 12.961 0.811 -8.702 1.00 0.00 C ATOM 935 O LYS B 4 12.532 0.152 -7.738 1.00 0.00 O ATOM 936 CB LYS B 4 11.215 0.844 -10.565 1.00 0.00 C ATOM 937 CG LYS B 4 10.836 0.407 -12.001 1.00 0.00 C ATOM 938 CD LYS B 4 9.512 1.030 -12.499 1.00 0.00 C ATOM 939 CE LYS B 4 9.182 0.603 -13.940 1.00 0.00 C ATOM 940 NZ LYS B 4 10.271 0.962 -14.891 1.00 0.00 N ATOM 0 H LYS B 4 11.853 -1.571 -10.252 1.00 0.00 H new ATOM 0 HA LYS B 4 13.332 0.843 -10.823 1.00 0.00 H new ATOM 0 HB2 LYS B 4 10.479 0.446 -9.866 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.163 1.931 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS B 4 11.640 0.686 -12.682 1.00 0.00 H new ATOM 0 HG3 LYS B 4 10.753 -0.679 -12.033 1.00 0.00 H new ATOM 0 HD2 LYS B 4 8.699 0.732 -11.837 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.581 2.117 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS B 4 9.015 -0.474 -13.970 1.00 0.00 H new ATOM 0 HE3 LYS B 4 8.253 1.079 -14.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 9.932 0.846 -15.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.554 1.951 -14.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.089 0.340 -14.733 1.00 0.00 H new ATOM 954 N GLN B 5 13.770 1.878 -8.580 1.00 0.00 N ATOM 955 CA GLN B 5 14.308 2.335 -7.293 1.00 0.00 C ATOM 956 C GLN B 5 13.179 2.770 -6.346 1.00 0.00 C ATOM 957 O GLN B 5 12.671 3.885 -6.443 1.00 0.00 O ATOM 958 CB GLN B 5 15.334 3.470 -7.519 1.00 0.00 C ATOM 959 CG GLN B 5 16.574 3.065 -8.348 1.00 0.00 C ATOM 960 CD GLN B 5 17.246 1.787 -7.841 1.00 0.00 C ATOM 961 OE1 GLN B 5 18.076 1.833 -6.932 1.00 0.00 O ATOM 962 NE2 GLN B 5 16.892 0.644 -8.418 1.00 0.00 N ATOM 0 H GLN B 5 14.068 2.446 -9.373 1.00 0.00 H new ATOM 0 HA GLN B 5 14.824 1.503 -6.814 1.00 0.00 H new ATOM 0 HB2 GLN B 5 14.834 4.299 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN B 5 15.667 3.838 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.278 2.924 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.297 3.880 -8.330 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.201 0.644 -9.168 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.311 -0.234 -8.111 1.00 0.00 H new ATOM 971 N THR B 6 12.781 1.852 -5.455 1.00 0.00 N ATOM 972 CA THR B 6 11.634 2.027 -4.562 1.00 0.00 C ATOM 973 C THR B 6 12.046 1.772 -3.103 1.00 0.00 C ATOM 974 O THR B 6 13.082 1.145 -2.818 1.00 0.00 O ATOM 975 CB THR B 6 10.453 1.067 -4.974 1.00 0.00 C ATOM 976 OG1 THR B 6 9.301 1.274 -4.139 1.00 0.00 O ATOM 977 CG2 THR B 6 10.862 -0.417 -4.924 1.00 0.00 C ATOM 0 H THR B 6 13.254 0.957 -5.335 1.00 0.00 H new ATOM 0 HA THR B 6 11.286 3.056 -4.652 1.00 0.00 H new ATOM 0 HB THR B 6 10.201 1.315 -6.005 1.00 0.00 H new ATOM 0 HG1 THR B 6 9.252 2.217 -3.877 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.015 -1.038 -5.216 1.00 0.00 H new ATOM 0 HG22 THR B 6 11.692 -0.589 -5.610 1.00 0.00 H new ATOM 0 HG23 THR B 6 11.169 -0.676 -3.911 1.00 0.00 H new ATOM 985 N ALA B 7 11.230 2.296 -2.198 1.00 0.00 N ATOM 986 CA ALA B 7 11.322 2.072 -0.759 1.00 0.00 C ATOM 987 C ALA B 7 9.946 2.326 -0.151 1.00 0.00 C ATOM 988 O ALA B 7 9.066 2.918 -0.789 1.00 0.00 O ATOM 989 CB ALA B 7 12.386 2.983 -0.125 1.00 0.00 C ATOM 0 H ALA B 7 10.458 2.911 -2.454 1.00 0.00 H new ATOM 0 HA ALA B 7 11.629 1.045 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA B 7 12.433 2.795 0.948 1.00 0.00 H new ATOM 0 HB2 ALA B 7 13.357 2.774 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA B 7 12.122 4.026 -0.299 1.00 0.00 H new ATOM 995 N ARG B 8 9.754 1.856 1.077 1.00 0.00 N ATOM 996 CA ARG B 8 8.500 2.039 1.827 1.00 0.00 C ATOM 997 C ARG B 8 8.716 3.167 2.849 1.00 0.00 C ATOM 998 O ARG B 8 9.820 3.718 2.939 1.00 0.00 O ATOM 999 CB ARG B 8 8.067 0.695 2.510 1.00 0.00 C ATOM 1000 CG ARG B 8 7.862 -0.516 1.542 1.00 0.00 C ATOM 1001 CD ARG B 8 9.186 -1.150 1.059 1.00 0.00 C ATOM 1002 NE ARG B 8 8.996 -2.127 -0.032 1.00 0.00 N ATOM 1003 CZ ARG B 8 9.911 -3.013 -0.453 1.00 0.00 C ATOM 1004 NH1 ARG B 8 11.071 -3.163 0.177 1.00 0.00 N ATOM 1005 NH2 ARG B 8 9.647 -3.769 -1.502 1.00 0.00 N ATOM 0 H ARG B 8 10.464 1.333 1.590 1.00 0.00 H new ATOM 0 HA ARG B 8 7.688 2.320 1.157 1.00 0.00 H new ATOM 0 HB2 ARG B 8 8.821 0.424 3.249 1.00 0.00 H new ATOM 0 HB3 ARG B 8 7.137 0.866 3.052 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.267 -1.277 2.046 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.289 -0.185 0.675 1.00 0.00 H new ATOM 0 HD2 ARG B 8 9.857 -0.361 0.719 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.674 -1.643 1.900 1.00 0.00 H new ATOM 0 HE ARG B 8 8.093 -2.128 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG B 8 11.281 -2.598 1.000 1.00 0.00 H new ATOM 0 HH12 ARG B 8 11.751 -3.843 -0.162 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.753 -3.677 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG B 8 10.336 -4.446 -1.830 1.00 0.00 H new HETATM 1019 N M3L B 9 7.669 3.542 3.602 1.00 0.00 N HETATM 1020 CA M3L B 9 7.791 4.538 4.683 1.00 0.00 C HETATM 1021 CB M3L B 9 6.811 5.716 4.478 1.00 0.00 C HETATM 1022 CG M3L B 9 7.134 6.534 3.210 1.00 0.00 C HETATM 1023 CD M3L B 9 6.274 7.806 3.059 1.00 0.00 C HETATM 1024 CE M3L B 9 6.714 8.651 1.842 1.00 0.00 C HETATM 1025 NZ M3L B 9 5.874 9.929 1.625 1.00 0.00 N HETATM 1026 C M3L B 9 7.591 3.865 6.039 1.00 0.00 C HETATM 1027 O M3L B 9 6.547 3.253 6.284 1.00 0.00 O HETATM 1028 CM1 M3L B 9 6.441 10.690 0.420 1.00 0.00 C HETATM 1029 CM2 M3L B 9 4.405 9.555 1.347 1.00 0.00 C HETATM 1030 CM3 M3L B 9 5.950 10.834 2.870 1.00 0.00 C HETATM 0 HM33 M3L B 9 5.563 10.296 3.735 1.00 0.00 H new HETATM 0 HM32 M3L B 9 6.987 11.116 3.052 1.00 0.00 H new HETATM 0 HM31 M3L B 9 5.354 11.731 2.704 1.00 0.00 H new HETATM 0 HM23 M3L B 9 4.351 8.935 0.452 1.00 0.00 H new HETATM 0 HM22 M3L B 9 4.003 9.003 2.196 1.00 0.00 H new HETATM 0 HM21 M3L B 9 3.821 10.463 1.195 1.00 0.00 H new HETATM 0 HM13 M3L B 9 7.479 10.958 0.615 1.00 0.00 H new HETATM 0 HM12 M3L B 9 6.389 10.058 -0.467 1.00 0.00 H new HETATM 0 HM11 M3L B 9 5.858 11.596 0.254 1.00 0.00 H new HETATM 0 HG3 M3L B 9 8.186 6.817 3.229 1.00 0.00 H new HETATM 0 HG2 M3L B 9 6.990 5.902 2.334 1.00 0.00 H new HETATM 0 HE3 M3L B 9 7.759 8.933 1.968 1.00 0.00 H new HETATM 0 HE2 M3L B 9 6.656 8.034 0.945 1.00 0.00 H new HETATM 0 HD3 M3L B 9 5.226 7.526 2.948 1.00 0.00 H new HETATM 0 HD2 M3L B 9 6.350 8.406 3.966 1.00 0.00 H new HETATM 0 HB3 M3L B 9 5.793 5.331 4.410 1.00 0.00 H new HETATM 0 HB2 M3L B 9 6.847 6.371 5.349 1.00 0.00 H new HETATM 0 HA M3L B 9 8.796 4.958 4.656 1.00 0.00 H new ATOM 1050 N SER B 10 8.605 4.030 6.907 1.00 0.00 N ATOM 1051 CA SER B 10 8.748 3.318 8.184 1.00 0.00 C ATOM 1052 C SER B 10 7.551 3.601 9.099 1.00 0.00 C ATOM 1053 O SER B 10 7.385 4.727 9.605 1.00 0.00 O ATOM 1054 CB SER B 10 10.080 3.732 8.869 1.00 0.00 C ATOM 1055 OG SER B 10 10.334 2.960 10.037 1.00 0.00 O ATOM 0 H SER B 10 9.369 4.683 6.731 1.00 0.00 H new ATOM 0 HA SER B 10 8.772 2.245 7.991 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.904 3.610 8.166 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.040 4.789 9.133 1.00 0.00 H new ATOM 0 HG SER B 10 11.180 3.246 10.441 1.00 0.00 H new ATOM 1061 N THR B 11 6.704 2.577 9.271 1.00 0.00 N ATOM 1062 CA THR B 11 5.488 2.668 10.068 1.00 0.00 C ATOM 1063 C THR B 11 5.845 2.753 11.570 1.00 0.00 C ATOM 1064 O THR B 11 6.191 1.744 12.194 1.00 0.00 O ATOM 1065 CB THR B 11 4.568 1.442 9.753 1.00 0.00 C ATOM 1066 OG1 THR B 11 4.413 1.326 8.330 1.00 0.00 O ATOM 1067 CG2 THR B 11 3.178 1.560 10.395 1.00 0.00 C ATOM 0 H THR B 11 6.851 1.658 8.855 1.00 0.00 H new ATOM 0 HA THR B 11 4.940 3.575 9.812 1.00 0.00 H new ATOM 0 HB THR B 11 5.049 0.559 10.174 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.839 0.559 8.125 1.00 0.00 H new ATOM 0 HG21 THR B 11 2.585 0.681 10.142 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.282 1.628 11.478 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.679 2.454 10.021 1.00 0.00 H new ATOM 1075 N GLY B 12 5.807 3.986 12.099 1.00 0.00 N ATOM 1076 CA GLY B 12 6.161 4.267 13.491 1.00 0.00 C ATOM 1077 C GLY B 12 5.072 3.843 14.476 1.00 0.00 C ATOM 1078 O GLY B 12 3.884 4.094 14.236 1.00 0.00 O ATOM 0 H GLY B 12 5.530 4.813 11.570 1.00 0.00 H new ATOM 0 HA2 GLY B 12 7.088 3.750 13.737 1.00 0.00 H new ATOM 0 HA3 GLY B 12 6.352 5.334 13.604 1.00 0.00 H new ATOM 1082 N GLY B 13 5.491 3.187 15.574 1.00 0.00 N ATOM 1083 CA GLY B 13 4.584 2.681 16.602 1.00 0.00 C ATOM 1084 C GLY B 13 4.410 3.668 17.746 1.00 0.00 C ATOM 1085 O GLY B 13 5.214 3.688 18.683 1.00 0.00 O ATOM 0 H GLY B 13 6.474 2.996 15.767 1.00 0.00 H new ATOM 0 HA2 GLY B 13 3.613 2.469 16.156 1.00 0.00 H new ATOM 0 HA3 GLY B 13 4.968 1.738 16.992 1.00 0.00 H new ATOM 1089 N LYS B 14 3.363 4.509 17.652 1.00 0.00 N ATOM 1090 CA LYS B 14 2.980 5.458 18.715 1.00 0.00 C ATOM 1091 C LYS B 14 2.186 4.710 19.811 1.00 0.00 C ATOM 1092 O LYS B 14 0.956 4.831 19.908 1.00 0.00 O ATOM 1093 CB LYS B 14 2.131 6.608 18.108 1.00 0.00 C ATOM 1094 CG LYS B 14 2.794 7.348 16.921 1.00 0.00 C ATOM 1095 CD LYS B 14 1.875 8.441 16.313 1.00 0.00 C ATOM 1096 CE LYS B 14 0.542 7.870 15.787 1.00 0.00 C ATOM 1097 NZ LYS B 14 -0.313 8.908 15.163 1.00 0.00 N ATOM 0 H LYS B 14 2.756 4.550 16.833 1.00 0.00 H new ATOM 0 HA LYS B 14 3.874 5.890 19.165 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.177 6.200 17.776 1.00 0.00 H new ATOM 0 HB3 LYS B 14 1.912 7.332 18.893 1.00 0.00 H new ATOM 0 HG2 LYS B 14 3.724 7.806 17.257 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.055 6.626 16.147 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.668 9.198 17.069 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.400 8.939 15.498 1.00 0.00 H new ATOM 0 HE2 LYS B 14 0.749 7.087 15.057 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.000 7.404 16.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.196 8.474 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -0.534 9.643 15.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 0.191 9.336 14.360 1.00 0.00 H new ATOM 1111 N ALA B 15 2.907 3.899 20.601 1.00 0.00 N ATOM 1112 CA ALA B 15 2.308 3.012 21.605 1.00 0.00 C ATOM 1113 C ALA B 15 3.321 2.762 22.746 1.00 0.00 C ATOM 1114 O ALA B 15 4.283 1.995 22.550 1.00 0.00 O ATOM 1115 CB ALA B 15 1.845 1.695 20.942 1.00 0.00 C ATOM 1116 OXT ALA B 15 3.161 3.352 23.832 1.00 0.00 O ATOM 0 H ALA B 15 3.925 3.841 20.560 1.00 0.00 H new ATOM 0 HA ALA B 15 1.426 3.485 22.038 1.00 0.00 H new ATOM 0 HB1 ALA B 15 1.402 1.044 21.696 1.00 0.00 H new ATOM 0 HB2 ALA B 15 1.105 1.915 20.173 1.00 0.00 H new ATOM 0 HB3 ALA B 15 2.701 1.195 20.489 1.00 0.00 H new TER 1122 ALA B 15