USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 142:sc= 1.25 (180deg=0.467) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.0849 X(o=0.085,f=-0.032) USER MOD Single : A 17 TYR OH : rot -152:sc= 0.248 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -83:sc= 0.671 USER MOD Single : A 25 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.7!) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.138 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= -0.0222 K(o=-0.022,f=-5.8!) USER MOD Single : A 45 THR OG1 : rot 72:sc= 0.0677 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.044) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0495 X(o=-0.049,f=-0.049) USER MOD Single : B 17 TYR OH : rot -170:sc= 0.255 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 170:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 26 ASN : amide:sc= 0.641 K(o=0.64,f=-0.68) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 81:sc= 0.126 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.222 12.800 -12.890 1.00 0.00 C HETATM 2 O ACE A 0 2.571 12.843 -14.067 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.264 13.830 -12.339 1.00 0.00 C HETATM 0 H1 ACE A 0 0.368 13.332 -11.968 1.00 0.00 H new HETATM 0 H2 ACE A 0 1.742 14.372 -11.523 1.00 0.00 H new HETATM 0 H3 ACE A 0 0.990 14.530 -13.128 1.00 0.00 H new ATOM 7 N ASP A 1 2.640 11.874 -12.029 1.00 0.00 N ATOM 8 CA ASP A 1 3.622 10.819 -12.347 1.00 0.00 C ATOM 9 C ASP A 1 3.323 9.468 -11.680 1.00 0.00 C ATOM 10 O ASP A 1 3.606 8.410 -12.243 1.00 0.00 O ATOM 11 CB ASP A 1 5.012 11.311 -11.918 1.00 0.00 C ATOM 12 CG ASP A 1 6.140 10.373 -12.383 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.406 10.304 -13.607 1.00 0.00 O ATOM 14 OD2 ASP A 1 6.787 9.732 -11.520 1.00 0.00 O ATOM 0 H ASP A 1 2.303 11.828 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 1 3.570 10.639 -13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.182 12.308 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.043 11.400 -10.832 1.00 0.00 H new ATOM 19 N TYR A 2 2.696 9.499 -10.503 1.00 0.00 N ATOM 20 CA TYR A 2 2.336 8.302 -9.734 1.00 0.00 C ATOM 21 C TYR A 2 1.473 7.305 -10.519 1.00 0.00 C ATOM 22 O TYR A 2 1.675 6.101 -10.403 1.00 0.00 O ATOM 23 CB TYR A 2 1.653 8.699 -8.416 1.00 0.00 C ATOM 24 CG TYR A 2 0.209 9.173 -8.505 1.00 0.00 C ATOM 25 CD1 TYR A 2 -0.086 10.511 -8.836 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.841 8.275 -8.227 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.425 10.945 -8.905 1.00 0.00 C ATOM 28 CE2 TYR A 2 -2.180 8.707 -8.287 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.478 10.043 -8.630 1.00 0.00 C ATOM 30 OH TYR A 2 -3.774 10.452 -8.701 1.00 0.00 O ATOM 0 H TYR A 2 2.419 10.369 -10.048 1.00 0.00 H new ATOM 0 HA TYR A 2 3.269 7.782 -9.516 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.688 7.842 -7.744 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.242 9.491 -7.953 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.716 11.205 -9.037 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.618 7.251 -7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.647 11.969 -9.168 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.980 8.015 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.366 9.702 -8.482 1.00 0.00 H new ATOM 40 N LEU A 3 0.557 7.797 -11.358 1.00 0.00 N ATOM 41 CA LEU A 3 -0.310 6.966 -12.210 1.00 0.00 C ATOM 42 C LEU A 3 0.495 6.218 -13.274 1.00 0.00 C ATOM 43 O LEU A 3 0.332 5.009 -13.430 1.00 0.00 O ATOM 44 CB LEU A 3 -1.386 7.822 -12.902 1.00 0.00 C ATOM 45 CG LEU A 3 -2.434 8.405 -11.944 1.00 0.00 C ATOM 46 CD1 LEU A 3 -3.352 9.360 -12.710 1.00 0.00 C ATOM 47 CD2 LEU A 3 -3.303 7.327 -11.292 1.00 0.00 C ATOM 0 H LEU A 3 0.392 8.797 -11.469 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.790 6.238 -11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.899 8.640 -13.432 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.893 7.214 -13.651 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.887 8.924 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.096 9.774 -12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.760 10.170 -13.136 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.855 8.818 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.026 7.797 -10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.832 6.769 -12.065 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.671 6.647 -10.721 1.00 0.00 H new ATOM 59 N ARG A 4 1.399 6.924 -13.968 1.00 0.00 N ATOM 60 CA ARG A 4 2.334 6.322 -14.933 1.00 0.00 C ATOM 61 C ARG A 4 3.170 5.241 -14.258 1.00 0.00 C ATOM 62 O ARG A 4 3.300 4.150 -14.808 1.00 0.00 O ATOM 63 CB ARG A 4 3.221 7.414 -15.564 1.00 0.00 C ATOM 64 CG ARG A 4 4.243 6.921 -16.610 1.00 0.00 C ATOM 65 CD ARG A 4 3.645 6.597 -17.985 1.00 0.00 C ATOM 66 NE ARG A 4 2.876 5.335 -18.009 1.00 0.00 N ATOM 67 CZ ARG A 4 2.020 4.968 -18.948 1.00 0.00 C ATOM 68 NH1 ARG A 4 1.755 5.723 -19.978 1.00 0.00 N ATOM 69 NH2 ARG A 4 1.407 3.822 -18.878 1.00 0.00 N ATOM 0 H ARG A 4 1.504 7.934 -13.876 1.00 0.00 H new ATOM 0 HA ARG A 4 1.766 5.848 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.575 8.155 -16.035 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.762 7.924 -14.766 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.013 7.683 -16.734 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.737 6.029 -16.224 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.994 7.416 -18.292 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.450 6.537 -18.718 1.00 0.00 H new ATOM 0 HE ARG A 4 3.018 4.690 -17.232 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.214 6.628 -20.078 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.089 5.408 -20.683 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.585 3.196 -18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.749 3.550 -19.608 1.00 0.00 H new ATOM 83 N GLU A 5 3.697 5.522 -13.067 1.00 0.00 N ATOM 84 CA GLU A 5 4.465 4.548 -12.279 1.00 0.00 C ATOM 85 C GLU A 5 3.633 3.308 -11.874 1.00 0.00 C ATOM 86 O GLU A 5 4.092 2.175 -12.034 1.00 0.00 O ATOM 87 CB GLU A 5 5.062 5.267 -11.060 1.00 0.00 C ATOM 88 CG GLU A 5 6.096 4.444 -10.283 1.00 0.00 C ATOM 89 CD GLU A 5 7.471 4.381 -10.983 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.578 3.795 -12.088 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.464 4.911 -10.426 1.00 0.00 O ATOM 0 H GLU A 5 3.605 6.433 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 5 5.269 4.154 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.529 6.194 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.253 5.543 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.221 4.874 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.717 3.431 -10.147 1.00 0.00 H new ATOM 98 N LEU A 6 2.394 3.514 -11.413 1.00 0.00 N ATOM 99 CA LEU A 6 1.421 2.475 -11.048 1.00 0.00 C ATOM 100 C LEU A 6 1.085 1.547 -12.222 1.00 0.00 C ATOM 101 O LEU A 6 1.316 0.339 -12.154 1.00 0.00 O ATOM 102 CB LEU A 6 0.153 3.177 -10.503 1.00 0.00 C ATOM 103 CG LEU A 6 -0.001 3.098 -8.979 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.220 3.544 -8.166 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.171 3.975 -8.530 1.00 0.00 C ATOM 0 H LEU A 6 2.024 4.455 -11.277 1.00 0.00 H new ATOM 0 HA LEU A 6 1.856 1.833 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.175 4.225 -10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.725 2.731 -10.970 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.154 2.037 -8.782 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.003 3.448 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.075 2.918 -8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.451 4.584 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.276 3.915 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.983 5.009 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.089 3.627 -9.003 1.00 0.00 H new ATOM 117 N LEU A 7 0.574 2.110 -13.316 1.00 0.00 N ATOM 118 CA LEU A 7 0.240 1.382 -14.546 1.00 0.00 C ATOM 119 C LEU A 7 1.431 0.626 -15.156 1.00 0.00 C ATOM 120 O LEU A 7 1.267 -0.518 -15.583 1.00 0.00 O ATOM 121 CB LEU A 7 -0.387 2.342 -15.576 1.00 0.00 C ATOM 122 CG LEU A 7 -1.920 2.472 -15.418 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.356 3.905 -15.127 1.00 0.00 C ATOM 124 CD2 LEU A 7 -2.628 2.014 -16.692 1.00 0.00 C ATOM 0 H LEU A 7 0.375 3.109 -13.376 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.486 0.618 -14.269 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.069 3.327 -15.473 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.159 1.989 -16.581 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.195 1.842 -14.572 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.441 3.942 -15.025 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.893 4.245 -14.201 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.047 4.553 -15.947 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.706 2.112 -16.564 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.304 2.631 -17.530 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.379 0.972 -16.892 1.00 0.00 H new ATOM 136 N LYS A 8 2.636 1.217 -15.155 1.00 0.00 N ATOM 137 CA LYS A 8 3.883 0.571 -15.630 1.00 0.00 C ATOM 138 C LYS A 8 4.373 -0.570 -14.710 1.00 0.00 C ATOM 139 O LYS A 8 5.403 -1.178 -15.003 1.00 0.00 O ATOM 140 CB LYS A 8 4.957 1.657 -15.861 1.00 0.00 C ATOM 141 CG LYS A 8 6.070 1.262 -16.857 1.00 0.00 C ATOM 142 CD LYS A 8 7.247 2.252 -16.925 1.00 0.00 C ATOM 143 CE LYS A 8 8.000 2.365 -15.587 1.00 0.00 C ATOM 144 NZ LYS A 8 7.616 3.587 -14.832 1.00 0.00 N ATOM 0 H LYS A 8 2.780 2.170 -14.821 1.00 0.00 H new ATOM 0 HA LYS A 8 3.671 0.076 -16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.468 2.561 -16.223 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.416 1.905 -14.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.454 0.279 -16.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.633 1.167 -17.851 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.941 1.934 -17.703 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.875 3.235 -17.213 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.793 1.484 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.074 2.378 -15.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.574 3.369 -13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.322 4.333 -14.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.683 3.915 -15.154 1.00 0.00 H new ATOM 158 N GLY A 9 3.659 -0.897 -13.627 1.00 0.00 N ATOM 159 CA GLY A 9 4.034 -1.957 -12.693 1.00 0.00 C ATOM 160 C GLY A 9 2.962 -2.913 -12.195 1.00 0.00 C ATOM 161 O GLY A 9 3.259 -4.093 -12.018 1.00 0.00 O ATOM 0 H GLY A 9 2.792 -0.424 -13.374 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.813 -2.554 -13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.484 -1.483 -11.820 1.00 0.00 H new ATOM 165 N GLU A 10 1.715 -2.484 -12.028 1.00 0.00 N ATOM 166 CA GLU A 10 0.638 -3.441 -11.696 1.00 0.00 C ATOM 167 C GLU A 10 0.425 -4.486 -12.802 1.00 0.00 C ATOM 168 O GLU A 10 0.095 -5.634 -12.486 1.00 0.00 O ATOM 169 CB GLU A 10 -0.679 -2.710 -11.376 1.00 0.00 C ATOM 170 CG GLU A 10 -0.747 -2.072 -9.975 1.00 0.00 C ATOM 171 CD GLU A 10 -1.530 -2.941 -8.984 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.120 -3.956 -8.391 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.735 -2.823 -8.672 1.00 0.00 O ATOM 0 H GLU A 10 1.419 -1.511 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 10 0.960 -3.977 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.834 -1.930 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.503 -3.417 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.264 -1.915 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.217 -1.091 -10.046 1.00 0.00 H new ATOM 180 N LEU A 11 0.684 -4.164 -14.081 1.00 0.00 N ATOM 181 CA LEU A 11 0.543 -5.156 -15.153 1.00 0.00 C ATOM 182 C LEU A 11 1.552 -6.316 -15.049 1.00 0.00 C ATOM 183 O LEU A 11 1.266 -7.449 -15.439 1.00 0.00 O ATOM 184 CB LEU A 11 0.502 -4.402 -16.491 1.00 0.00 C ATOM 185 CG LEU A 11 1.811 -4.397 -17.285 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.926 -5.593 -18.234 1.00 0.00 C ATOM 187 CD2 LEU A 11 1.908 -3.125 -18.121 1.00 0.00 C ATOM 0 H LEU A 11 0.987 -3.241 -14.391 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.400 -5.695 -15.058 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.278 -4.842 -17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.211 -3.370 -16.298 1.00 0.00 H new ATOM 0 HG LEU A 11 2.618 -4.453 -16.554 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.872 -5.541 -18.772 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.886 -6.518 -17.660 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.102 -5.572 -18.947 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.842 -3.129 -18.683 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.068 -3.080 -18.814 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.883 -2.255 -17.464 1.00 0.00 H new ATOM 199 N GLN A 12 2.703 -6.038 -14.438 1.00 0.00 N ATOM 200 CA GLN A 12 3.810 -6.957 -14.211 1.00 0.00 C ATOM 201 C GLN A 12 3.458 -8.057 -13.190 1.00 0.00 C ATOM 202 O GLN A 12 4.145 -9.079 -13.122 1.00 0.00 O ATOM 203 CB GLN A 12 5.039 -6.124 -13.792 1.00 0.00 C ATOM 204 CG GLN A 12 6.358 -6.883 -13.997 1.00 0.00 C ATOM 205 CD GLN A 12 7.601 -6.077 -13.613 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.672 -4.861 -13.741 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.641 -6.725 -13.128 1.00 0.00 N ATOM 0 H GLN A 12 2.896 -5.108 -14.067 1.00 0.00 H new ATOM 0 HA GLN A 12 4.036 -7.497 -15.130 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.062 -5.199 -14.369 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.944 -5.843 -12.743 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.334 -7.799 -13.407 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.437 -7.179 -15.043 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.603 -7.738 -13.013 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.484 -6.214 -12.867 1.00 0.00 H new ATOM 216 N GLY A 13 2.361 -7.887 -12.439 1.00 0.00 N ATOM 217 CA GLY A 13 1.808 -8.924 -11.570 1.00 0.00 C ATOM 218 C GLY A 13 0.828 -9.830 -12.314 1.00 0.00 C ATOM 219 O GLY A 13 0.892 -11.049 -12.153 1.00 0.00 O ATOM 0 H GLY A 13 1.831 -7.016 -12.421 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.620 -9.526 -11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.301 -8.457 -10.725 1.00 0.00 H new ATOM 223 N ILE A 14 -0.033 -9.267 -13.179 1.00 0.00 N ATOM 224 CA ILE A 14 -1.114 -10.038 -13.835 1.00 0.00 C ATOM 225 C ILE A 14 -0.549 -11.215 -14.641 1.00 0.00 C ATOM 226 O ILE A 14 -1.025 -12.347 -14.516 1.00 0.00 O ATOM 227 CB ILE A 14 -1.996 -9.144 -14.739 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.631 -7.993 -13.930 1.00 0.00 C ATOM 229 CG2 ILE A 14 -3.105 -9.977 -15.417 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.395 -6.983 -14.793 1.00 0.00 C ATOM 0 H ILE A 14 -0.005 -8.282 -13.443 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.745 -10.434 -13.039 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.353 -8.717 -15.508 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.312 -8.413 -13.190 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.847 -7.470 -13.382 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.713 -9.328 -16.048 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.652 -10.757 -16.029 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.734 -10.435 -14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.813 -6.203 -14.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.714 -6.534 -15.516 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.201 -7.492 -15.321 1.00 0.00 H new ATOM 242 N LYS A 15 0.490 -10.957 -15.448 1.00 0.00 N ATOM 243 CA LYS A 15 1.069 -11.975 -16.338 1.00 0.00 C ATOM 244 C LYS A 15 1.745 -13.108 -15.559 1.00 0.00 C ATOM 245 O LYS A 15 1.595 -14.285 -15.886 1.00 0.00 O ATOM 246 CB LYS A 15 2.036 -11.318 -17.339 1.00 0.00 C ATOM 247 CG LYS A 15 2.425 -12.299 -18.459 1.00 0.00 C ATOM 248 CD LYS A 15 3.393 -11.668 -19.466 1.00 0.00 C ATOM 249 CE LYS A 15 3.702 -12.678 -20.580 1.00 0.00 C ATOM 250 NZ LYS A 15 4.682 -12.139 -21.559 1.00 0.00 N ATOM 0 H LYS A 15 0.949 -10.048 -15.503 1.00 0.00 H new ATOM 0 HA LYS A 15 0.253 -12.433 -16.897 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.570 -10.433 -17.772 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.932 -10.983 -16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.885 -13.185 -18.021 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.526 -12.630 -18.979 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.955 -10.765 -19.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.314 -11.371 -18.964 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.095 -13.595 -20.140 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.780 -12.942 -21.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.864 -12.851 -22.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.297 -11.278 -21.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.571 -11.911 -21.070 1.00 0.00 H new ATOM 264 N GLN A 16 2.446 -12.741 -14.491 1.00 0.00 N ATOM 265 CA GLN A 16 3.213 -13.653 -13.644 1.00 0.00 C ATOM 266 C GLN A 16 2.326 -14.548 -12.778 1.00 0.00 C ATOM 267 O GLN A 16 2.624 -15.731 -12.600 1.00 0.00 O ATOM 268 CB GLN A 16 4.183 -12.819 -12.794 1.00 0.00 C ATOM 269 CG GLN A 16 5.559 -12.660 -13.459 1.00 0.00 C ATOM 270 CD GLN A 16 5.543 -12.053 -14.864 1.00 0.00 C ATOM 271 OE1 GLN A 16 5.436 -12.742 -15.869 1.00 0.00 O ATOM 272 NE2 GLN A 16 5.676 -10.753 -14.995 1.00 0.00 N ATOM 0 H GLN A 16 2.499 -11.771 -14.180 1.00 0.00 H new ATOM 0 HA GLN A 16 3.771 -14.339 -14.281 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.752 -11.833 -12.618 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.306 -13.292 -11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.183 -12.036 -12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.034 -13.640 -13.510 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.766 -10.164 -14.167 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.689 -10.333 -15.924 1.00 0.00 H new ATOM 281 N TYR A 17 1.194 -14.030 -12.306 1.00 0.00 N ATOM 282 CA TYR A 17 0.202 -14.822 -11.591 1.00 0.00 C ATOM 283 C TYR A 17 -0.412 -15.934 -12.438 1.00 0.00 C ATOM 284 O TYR A 17 -0.687 -17.013 -11.906 1.00 0.00 O ATOM 285 CB TYR A 17 -0.913 -13.914 -11.073 1.00 0.00 C ATOM 286 CG TYR A 17 -0.577 -13.140 -9.811 1.00 0.00 C ATOM 287 CD1 TYR A 17 0.001 -13.798 -8.705 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.874 -11.766 -9.726 1.00 0.00 C ATOM 289 CE1 TYR A 17 0.315 -13.078 -7.540 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.582 -11.048 -8.550 1.00 0.00 C ATOM 291 CZ TYR A 17 0.014 -11.705 -7.454 1.00 0.00 C ATOM 292 OH TYR A 17 0.187 -11.055 -6.272 1.00 0.00 O ATOM 0 H TYR A 17 0.941 -13.047 -12.410 1.00 0.00 H new ATOM 0 HA TYR A 17 0.729 -15.300 -10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.176 -13.204 -11.857 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.797 -14.522 -10.883 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.203 -14.858 -8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.328 -11.261 -10.566 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.788 -13.579 -6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.814 -9.995 -8.488 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.437 -10.301 -6.219 1.00 0.00 H new ATOM 302 N ARG A 18 -0.600 -15.716 -13.749 1.00 0.00 N ATOM 303 CA ARG A 18 -1.160 -16.765 -14.613 1.00 0.00 C ATOM 304 C ARG A 18 -0.219 -17.967 -14.784 1.00 0.00 C ATOM 305 O ARG A 18 -0.675 -19.088 -15.001 1.00 0.00 O ATOM 306 CB ARG A 18 -1.592 -16.174 -15.955 1.00 0.00 C ATOM 307 CG ARG A 18 -3.016 -15.596 -15.891 1.00 0.00 C ATOM 308 CD ARG A 18 -3.532 -15.133 -17.261 1.00 0.00 C ATOM 309 NE ARG A 18 -3.712 -16.255 -18.210 1.00 0.00 N ATOM 310 CZ ARG A 18 -4.759 -17.056 -18.328 1.00 0.00 C ATOM 311 NH1 ARG A 18 -5.815 -16.946 -17.572 1.00 0.00 N ATOM 312 NH2 ARG A 18 -4.765 -18.000 -19.226 1.00 0.00 N ATOM 0 H ARG A 18 -0.378 -14.842 -14.226 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.045 -17.160 -14.114 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.894 -15.390 -16.249 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.547 -16.945 -16.724 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.692 -16.351 -15.489 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.031 -14.754 -15.199 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.483 -14.616 -17.131 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.832 -14.413 -17.684 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.937 -16.432 -18.849 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.856 -16.221 -16.856 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.600 -17.585 -17.697 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.961 -18.124 -19.841 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.574 -18.615 -19.314 1.00 0.00 H new ATOM 326 N GLU A 19 1.085 -17.745 -14.627 1.00 0.00 N ATOM 327 CA GLU A 19 2.131 -18.778 -14.627 1.00 0.00 C ATOM 328 C GLU A 19 2.186 -19.591 -13.315 1.00 0.00 C ATOM 329 O GLU A 19 2.561 -20.760 -13.310 1.00 0.00 O ATOM 330 CB GLU A 19 3.482 -18.071 -14.816 1.00 0.00 C ATOM 331 CG GLU A 19 4.536 -18.915 -15.547 1.00 0.00 C ATOM 332 CD GLU A 19 4.239 -19.027 -17.058 1.00 0.00 C ATOM 333 OE1 GLU A 19 4.702 -18.161 -17.839 1.00 0.00 O ATOM 334 OE2 GLU A 19 3.552 -19.990 -17.478 1.00 0.00 O ATOM 0 H GLU A 19 1.461 -16.807 -14.491 1.00 0.00 H new ATOM 0 HA GLU A 19 1.906 -19.481 -15.429 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.322 -17.148 -15.373 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.872 -17.790 -13.838 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.521 -18.470 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.570 -19.913 -15.109 1.00 0.00 H new ATOM 341 N ALA A 20 1.831 -18.965 -12.190 1.00 0.00 N ATOM 342 CA ALA A 20 2.030 -19.487 -10.836 1.00 0.00 C ATOM 343 C ALA A 20 0.979 -20.519 -10.400 1.00 0.00 C ATOM 344 O ALA A 20 1.281 -21.376 -9.564 1.00 0.00 O ATOM 345 CB ALA A 20 2.061 -18.295 -9.870 1.00 0.00 C ATOM 0 H ALA A 20 1.382 -18.049 -12.197 1.00 0.00 H new ATOM 0 HA ALA A 20 2.974 -20.032 -10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.208 -18.655 -8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.880 -17.628 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.117 -17.753 -9.930 1.00 0.00 H new ATOM 351 N LEU A 21 -0.223 -20.502 -10.994 1.00 0.00 N ATOM 352 CA LEU A 21 -1.244 -21.536 -10.768 1.00 0.00 C ATOM 353 C LEU A 21 -0.704 -22.931 -11.099 1.00 0.00 C ATOM 354 O LEU A 21 -1.072 -23.898 -10.441 1.00 0.00 O ATOM 355 CB LEU A 21 -2.537 -21.183 -11.522 1.00 0.00 C ATOM 356 CG LEU A 21 -3.773 -22.034 -11.154 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.049 -21.209 -11.339 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.932 -23.277 -12.036 1.00 0.00 C ATOM 0 H LEU A 21 -0.515 -19.772 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.498 -21.563 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.771 -20.135 -11.337 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.353 -21.284 -12.592 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.621 -22.342 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.916 -21.816 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.012 -20.332 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.129 -20.891 -12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.818 -23.832 -11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.039 -22.973 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.052 -23.912 -11.932 1.00 0.00 H new ATOM 370 N GLU A 22 0.244 -23.048 -12.031 1.00 0.00 N ATOM 371 CA GLU A 22 0.837 -24.355 -12.375 1.00 0.00 C ATOM 372 C GLU A 22 1.591 -25.050 -11.227 1.00 0.00 C ATOM 373 O GLU A 22 1.732 -26.274 -11.230 1.00 0.00 O ATOM 374 CB GLU A 22 1.792 -24.214 -13.564 1.00 0.00 C ATOM 375 CG GLU A 22 1.183 -24.734 -14.875 1.00 0.00 C ATOM 376 CD GLU A 22 1.008 -26.270 -14.872 1.00 0.00 C ATOM 377 OE1 GLU A 22 -0.002 -26.771 -14.316 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.873 -26.984 -15.436 1.00 0.00 O ATOM 0 H GLU A 22 0.620 -22.262 -12.562 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.017 -24.987 -12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.064 -23.165 -13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.712 -24.760 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.214 -24.261 -15.036 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.822 -24.445 -15.710 1.00 0.00 H new ATOM 385 N TYR A 23 2.046 -24.279 -10.239 1.00 0.00 N ATOM 386 CA TYR A 23 2.872 -24.743 -9.118 1.00 0.00 C ATOM 387 C TYR A 23 2.128 -24.654 -7.773 1.00 0.00 C ATOM 388 O TYR A 23 2.708 -24.907 -6.713 1.00 0.00 O ATOM 389 CB TYR A 23 4.186 -23.944 -9.128 1.00 0.00 C ATOM 390 CG TYR A 23 5.102 -24.277 -10.294 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.993 -23.576 -11.513 1.00 0.00 C ATOM 392 CD2 TYR A 23 6.060 -25.302 -10.158 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.836 -23.904 -12.593 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.909 -25.627 -11.233 1.00 0.00 C ATOM 395 CZ TYR A 23 6.798 -24.929 -12.457 1.00 0.00 C ATOM 396 OH TYR A 23 7.612 -25.238 -13.503 1.00 0.00 O ATOM 0 H TYR A 23 1.844 -23.280 -10.193 1.00 0.00 H new ATOM 0 HA TYR A 23 3.099 -25.802 -9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.952 -22.880 -9.155 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.719 -24.129 -8.196 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.263 -22.787 -11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.143 -25.840 -9.225 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.746 -23.370 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.645 -26.410 -11.122 1.00 0.00 H new ATOM 0 HH TYR A 23 8.217 -25.964 -13.244 1.00 0.00 H new ATOM 406 N THR A 24 0.833 -24.315 -7.810 1.00 0.00 N ATOM 407 CA THR A 24 -0.003 -24.032 -6.628 1.00 0.00 C ATOM 408 C THR A 24 -1.434 -24.576 -6.731 1.00 0.00 C ATOM 409 O THR A 24 -2.024 -24.905 -5.702 1.00 0.00 O ATOM 410 CB THR A 24 -0.085 -22.517 -6.379 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.600 -21.895 -7.524 1.00 0.00 O ATOM 412 CG2 THR A 24 1.257 -21.838 -6.101 1.00 0.00 C ATOM 0 H THR A 24 0.320 -24.226 -8.687 1.00 0.00 H new ATOM 0 HA THR A 24 0.488 -24.546 -5.801 1.00 0.00 H new ATOM 0 HB THR A 24 -0.711 -22.409 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.121 -21.754 -8.172 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.099 -20.772 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.710 -22.278 -5.212 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.920 -21.980 -6.954 1.00 0.00 H new ATOM 420 N HIS A 25 -1.984 -24.699 -7.949 1.00 0.00 N ATOM 421 CA HIS A 25 -3.330 -25.180 -8.324 1.00 0.00 C ATOM 422 C HIS A 25 -4.432 -24.910 -7.273 1.00 0.00 C ATOM 423 O HIS A 25 -5.126 -25.824 -6.820 1.00 0.00 O ATOM 424 CB HIS A 25 -3.251 -26.647 -8.813 1.00 0.00 C ATOM 425 CG HIS A 25 -2.896 -26.783 -10.278 1.00 0.00 C ATOM 426 ND1 HIS A 25 -3.803 -26.849 -11.324 1.00 0.00 N ATOM 427 CD2 HIS A 25 -1.641 -26.875 -10.815 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.109 -26.966 -12.475 1.00 0.00 C ATOM 429 NE2 HIS A 25 -1.792 -26.984 -12.189 1.00 0.00 N ATOM 0 H HIS A 25 -1.449 -24.440 -8.778 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.669 -24.572 -9.163 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.509 -27.179 -8.218 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.211 -27.132 -8.634 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.708 -26.865 -10.271 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.538 -27.034 -13.464 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.035 -27.064 -12.868 1.00 0.00 H new ATOM 438 N ASN A 26 -4.588 -23.643 -6.875 1.00 0.00 N ATOM 439 CA ASN A 26 -5.551 -23.197 -5.858 1.00 0.00 C ATOM 440 C ASN A 26 -6.532 -22.134 -6.401 1.00 0.00 C ATOM 441 O ASN A 26 -6.163 -21.349 -7.279 1.00 0.00 O ATOM 442 CB ASN A 26 -4.767 -22.708 -4.618 1.00 0.00 C ATOM 443 CG ASN A 26 -4.759 -23.758 -3.517 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.585 -23.750 -2.619 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.860 -24.711 -3.558 1.00 0.00 N ATOM 0 H ASN A 26 -4.034 -22.878 -7.260 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.183 -24.037 -5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.742 -22.470 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.215 -21.788 -4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.855 -25.438 -2.843 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.166 -24.725 -4.305 1.00 0.00 H new ATOM 452 N PRO A 27 -7.763 -22.044 -5.851 1.00 0.00 N ATOM 453 CA PRO A 27 -8.771 -21.060 -6.270 1.00 0.00 C ATOM 454 C PRO A 27 -8.415 -19.620 -5.864 1.00 0.00 C ATOM 455 O PRO A 27 -9.052 -18.669 -6.313 1.00 0.00 O ATOM 456 CB PRO A 27 -10.076 -21.520 -5.608 1.00 0.00 C ATOM 457 CG PRO A 27 -9.601 -22.213 -4.333 1.00 0.00 C ATOM 458 CD PRO A 27 -8.300 -22.876 -4.778 1.00 0.00 C ATOM 0 HA PRO A 27 -8.845 -21.023 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.733 -20.679 -5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.635 -22.200 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.437 -21.503 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.326 -22.944 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.595 -22.945 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.481 -23.892 -5.128 1.00 0.00 H new ATOM 466 N VAL A 28 -7.393 -19.438 -5.021 1.00 0.00 N ATOM 467 CA VAL A 28 -6.952 -18.123 -4.531 1.00 0.00 C ATOM 468 C VAL A 28 -6.343 -17.269 -5.635 1.00 0.00 C ATOM 469 O VAL A 28 -6.615 -16.075 -5.696 1.00 0.00 O ATOM 470 CB VAL A 28 -6.028 -18.312 -3.308 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.528 -18.372 -3.623 1.00 0.00 C ATOM 472 CG2 VAL A 28 -6.318 -17.245 -2.256 1.00 0.00 C ATOM 0 H VAL A 28 -6.839 -20.211 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.822 -17.556 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.268 -19.301 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.967 -18.506 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.330 -19.209 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.220 -17.443 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.660 -17.390 -1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.146 -16.257 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.356 -17.325 -1.933 1.00 0.00 H new ATOM 482 N LEU A 29 -5.604 -17.852 -6.580 1.00 0.00 N ATOM 483 CA LEU A 29 -5.040 -17.112 -7.711 1.00 0.00 C ATOM 484 C LEU A 29 -6.141 -16.562 -8.639 1.00 0.00 C ATOM 485 O LEU A 29 -6.017 -15.450 -9.153 1.00 0.00 O ATOM 486 CB LEU A 29 -4.036 -18.012 -8.446 1.00 0.00 C ATOM 487 CG LEU A 29 -2.869 -18.484 -7.553 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.056 -19.932 -7.107 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.538 -18.367 -8.294 1.00 0.00 C ATOM 0 H LEU A 29 -5.380 -18.847 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.508 -16.235 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.560 -18.884 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.633 -17.471 -9.302 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.861 -17.839 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.216 -20.231 -6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.982 -20.021 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.103 -20.579 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.730 -18.705 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.566 -18.985 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.368 -17.327 -8.574 1.00 0.00 H new ATOM 501 N ALA A 30 -7.272 -17.276 -8.733 1.00 0.00 N ATOM 502 CA ALA A 30 -8.530 -16.811 -9.328 1.00 0.00 C ATOM 503 C ALA A 30 -9.289 -15.759 -8.471 1.00 0.00 C ATOM 504 O ALA A 30 -10.421 -15.397 -8.804 1.00 0.00 O ATOM 505 CB ALA A 30 -9.398 -18.037 -9.655 1.00 0.00 C ATOM 0 H ALA A 30 -7.336 -18.232 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.289 -16.272 -10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.338 -17.709 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.869 -18.680 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.603 -18.592 -8.740 1.00 0.00 H new ATOM 511 N LYS A 31 -8.662 -15.230 -7.407 1.00 0.00 N ATOM 512 CA LYS A 31 -9.035 -14.009 -6.682 1.00 0.00 C ATOM 513 C LYS A 31 -7.925 -12.952 -6.690 1.00 0.00 C ATOM 514 O LYS A 31 -8.234 -11.796 -6.956 1.00 0.00 O ATOM 515 CB LYS A 31 -9.499 -14.298 -5.243 1.00 0.00 C ATOM 516 CG LYS A 31 -10.685 -15.276 -5.166 1.00 0.00 C ATOM 517 CD LYS A 31 -11.594 -15.024 -3.953 1.00 0.00 C ATOM 518 CE LYS A 31 -10.857 -15.076 -2.608 1.00 0.00 C ATOM 519 NZ LYS A 31 -11.789 -14.814 -1.478 1.00 0.00 N ATOM 0 H LYS A 31 -7.833 -15.671 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.883 -13.596 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.663 -14.707 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.780 -13.360 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.276 -15.195 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.305 -16.297 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.066 -14.048 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.393 -15.766 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.393 -16.054 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.054 -14.339 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.418 -14.036 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.723 -14.551 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.878 -15.671 -0.896 1.00 0.00 H new ATOM 533 N ILE A 32 -6.648 -13.320 -6.498 1.00 0.00 N ATOM 534 CA ILE A 32 -5.534 -12.342 -6.527 1.00 0.00 C ATOM 535 C ILE A 32 -5.463 -11.652 -7.891 1.00 0.00 C ATOM 536 O ILE A 32 -5.721 -10.452 -7.986 1.00 0.00 O ATOM 537 CB ILE A 32 -4.147 -12.913 -6.123 1.00 0.00 C ATOM 538 CG1 ILE A 32 -3.972 -13.234 -4.620 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.059 -11.869 -6.408 1.00 0.00 C ATOM 540 CD1 ILE A 32 -4.460 -14.622 -4.247 1.00 0.00 C ATOM 0 H ILE A 32 -6.356 -14.281 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.772 -11.613 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.069 -13.835 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.919 -13.142 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.514 -12.494 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.086 -12.271 -6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.056 -11.628 -7.471 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.261 -10.966 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.310 -14.786 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.521 -14.710 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.900 -15.368 -4.811 1.00 0.00 H new ATOM 552 N LEU A 33 -5.133 -12.392 -8.955 1.00 0.00 N ATOM 553 CA LEU A 33 -4.962 -11.789 -10.281 1.00 0.00 C ATOM 554 C LEU A 33 -6.313 -11.365 -10.869 1.00 0.00 C ATOM 555 O LEU A 33 -6.369 -10.446 -11.682 1.00 0.00 O ATOM 556 CB LEU A 33 -4.128 -12.720 -11.185 1.00 0.00 C ATOM 557 CG LEU A 33 -4.917 -13.673 -12.102 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.068 -13.115 -13.519 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.248 -15.043 -12.222 1.00 0.00 C ATOM 0 H LEU A 33 -4.980 -13.400 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.390 -10.865 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.483 -12.102 -11.809 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.477 -13.319 -10.549 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.895 -13.774 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.631 -13.821 -14.130 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.599 -12.164 -13.481 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.082 -12.962 -13.957 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.840 -15.681 -12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.247 -14.924 -12.638 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.179 -15.502 -11.236 1.00 0.00 H new ATOM 571 N GLU A 34 -7.405 -11.988 -10.409 1.00 0.00 N ATOM 572 CA GLU A 34 -8.761 -11.571 -10.752 1.00 0.00 C ATOM 573 C GLU A 34 -9.052 -10.140 -10.268 1.00 0.00 C ATOM 574 O GLU A 34 -9.730 -9.391 -10.969 1.00 0.00 O ATOM 575 CB GLU A 34 -9.767 -12.584 -10.192 1.00 0.00 C ATOM 576 CG GLU A 34 -11.252 -12.253 -10.417 1.00 0.00 C ATOM 577 CD GLU A 34 -11.661 -12.118 -11.900 1.00 0.00 C ATOM 578 OE1 GLU A 34 -11.095 -12.822 -12.773 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.595 -11.333 -12.195 1.00 0.00 O ATOM 0 H GLU A 34 -7.368 -12.796 -9.788 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.861 -11.552 -11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.560 -13.557 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.595 -12.682 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.859 -13.032 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.485 -11.321 -9.903 1.00 0.00 H new ATOM 586 N ASP A 35 -8.502 -9.718 -9.125 1.00 0.00 N ATOM 587 CA ASP A 35 -8.567 -8.328 -8.688 1.00 0.00 C ATOM 588 C ASP A 35 -7.586 -7.424 -9.431 1.00 0.00 C ATOM 589 O ASP A 35 -8.002 -6.370 -9.913 1.00 0.00 O ATOM 590 CB ASP A 35 -8.278 -8.238 -7.192 1.00 0.00 C ATOM 591 CG ASP A 35 -9.257 -8.965 -6.258 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.455 -9.128 -6.600 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.807 -9.310 -5.138 1.00 0.00 O ATOM 0 H ASP A 35 -8.002 -10.331 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.576 -7.980 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.279 -8.635 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.258 -7.185 -6.912 1.00 0.00 H new ATOM 598 N GLU A 36 -6.320 -7.827 -9.602 1.00 0.00 N ATOM 599 CA GLU A 36 -5.360 -7.042 -10.392 1.00 0.00 C ATOM 600 C GLU A 36 -5.869 -6.741 -11.819 1.00 0.00 C ATOM 601 O GLU A 36 -5.507 -5.718 -12.399 1.00 0.00 O ATOM 602 CB GLU A 36 -4.007 -7.756 -10.479 1.00 0.00 C ATOM 603 CG GLU A 36 -3.345 -8.191 -9.167 1.00 0.00 C ATOM 604 CD GLU A 36 -2.955 -7.088 -8.180 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.119 -5.863 -8.417 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.460 -7.411 -7.070 1.00 0.00 O ATOM 0 H GLU A 36 -5.938 -8.686 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.243 -6.093 -9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.135 -8.643 -11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.314 -7.098 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.023 -8.876 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.446 -8.757 -9.413 1.00 0.00 H new ATOM 613 N GLU A 37 -6.757 -7.586 -12.360 1.00 0.00 N ATOM 614 CA GLU A 37 -7.371 -7.416 -13.685 1.00 0.00 C ATOM 615 C GLU A 37 -8.278 -6.175 -13.741 1.00 0.00 C ATOM 616 O GLU A 37 -8.337 -5.488 -14.766 1.00 0.00 O ATOM 617 CB GLU A 37 -8.174 -8.683 -14.037 1.00 0.00 C ATOM 618 CG GLU A 37 -8.608 -8.792 -15.506 1.00 0.00 C ATOM 619 CD GLU A 37 -7.423 -9.093 -16.447 1.00 0.00 C ATOM 620 OE1 GLU A 37 -7.132 -10.288 -16.695 1.00 0.00 O ATOM 621 OE2 GLU A 37 -6.798 -8.139 -16.969 1.00 0.00 O ATOM 0 H GLU A 37 -7.076 -8.426 -11.878 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.576 -7.266 -14.415 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.573 -9.557 -13.786 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.064 -8.717 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.356 -9.579 -15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.084 -7.860 -15.812 1.00 0.00 H new ATOM 628 N LYS A 38 -8.945 -5.847 -12.623 1.00 0.00 N ATOM 629 CA LYS A 38 -9.681 -4.587 -12.453 1.00 0.00 C ATOM 630 C LYS A 38 -8.769 -3.443 -12.050 1.00 0.00 C ATOM 631 O LYS A 38 -8.917 -2.364 -12.607 1.00 0.00 O ATOM 632 CB LYS A 38 -10.795 -4.692 -11.398 1.00 0.00 C ATOM 633 CG LYS A 38 -12.031 -5.470 -11.863 1.00 0.00 C ATOM 634 CD LYS A 38 -11.967 -6.962 -11.525 1.00 0.00 C ATOM 635 CE LYS A 38 -12.324 -7.218 -10.051 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.704 -7.757 -9.910 1.00 0.00 N ATOM 0 H LYS A 38 -8.988 -6.455 -11.805 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.122 -4.386 -13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.391 -5.173 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.101 -3.687 -11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.919 -5.037 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.142 -5.353 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.654 -7.512 -12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.966 -7.341 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.612 -7.921 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.236 -6.289 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.913 -7.918 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.385 -7.074 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.780 -8.656 -10.428 1.00 0.00 H new ATOM 650 N HIS A 39 -7.846 -3.650 -11.105 1.00 0.00 N ATOM 651 CA HIS A 39 -7.086 -2.613 -10.413 1.00 0.00 C ATOM 652 C HIS A 39 -6.477 -1.550 -11.335 1.00 0.00 C ATOM 653 O HIS A 39 -6.614 -0.356 -11.075 1.00 0.00 O ATOM 654 CB HIS A 39 -6.001 -3.330 -9.613 1.00 0.00 C ATOM 655 CG HIS A 39 -6.417 -3.977 -8.321 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.507 -4.360 -7.331 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.689 -4.249 -7.901 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.261 -4.839 -6.328 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.568 -4.777 -6.639 1.00 0.00 N ATOM 0 H HIS A 39 -7.600 -4.588 -10.790 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.766 -2.049 -9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.563 -4.098 -10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.212 -2.611 -9.392 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.490 -4.291 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.604 -4.082 -8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.870 -5.222 -5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.339 -5.072 -6.039 1.00 0.00 H new ATOM 667 N ILE A 40 -5.856 -1.977 -12.438 1.00 0.00 N ATOM 668 CA ILE A 40 -5.223 -1.080 -13.418 1.00 0.00 C ATOM 669 C ILE A 40 -6.242 -0.169 -14.108 1.00 0.00 C ATOM 670 O ILE A 40 -5.984 1.018 -14.288 1.00 0.00 O ATOM 671 CB ILE A 40 -4.439 -1.904 -14.466 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.402 -2.786 -13.747 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.735 -0.998 -15.490 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.538 -3.624 -14.686 1.00 0.00 C ATOM 0 H ILE A 40 -5.776 -2.964 -12.681 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.531 -0.437 -12.875 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.148 -2.528 -15.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.753 -2.149 -13.146 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.922 -3.452 -13.058 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.195 -1.613 -16.210 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.477 -0.395 -16.013 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.033 -0.343 -14.974 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.834 -4.216 -14.101 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.175 -4.289 -15.270 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.988 -2.966 -15.358 1.00 0.00 H new ATOM 686 N GLU A 41 -7.408 -0.704 -14.472 1.00 0.00 N ATOM 687 CA GLU A 41 -8.498 0.081 -15.055 1.00 0.00 C ATOM 688 C GLU A 41 -9.214 0.927 -13.990 1.00 0.00 C ATOM 689 O GLU A 41 -9.534 2.088 -14.229 1.00 0.00 O ATOM 690 CB GLU A 41 -9.459 -0.860 -15.799 1.00 0.00 C ATOM 691 CG GLU A 41 -10.328 -0.101 -16.808 1.00 0.00 C ATOM 692 CD GLU A 41 -11.110 -1.078 -17.709 1.00 0.00 C ATOM 693 OE1 GLU A 41 -12.223 -1.515 -17.324 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.621 -1.412 -18.816 1.00 0.00 O ATOM 0 H GLU A 41 -7.624 -1.696 -14.371 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.087 0.790 -15.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.886 -1.629 -16.318 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.099 -1.370 -15.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.025 0.547 -16.277 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.699 0.543 -17.423 1.00 0.00 H new ATOM 701 N TRP A 42 -9.375 0.391 -12.780 1.00 0.00 N ATOM 702 CA TRP A 42 -9.922 1.067 -11.602 1.00 0.00 C ATOM 703 C TRP A 42 -9.201 2.383 -11.225 1.00 0.00 C ATOM 704 O TRP A 42 -9.870 3.340 -10.838 1.00 0.00 O ATOM 705 CB TRP A 42 -9.974 0.012 -10.473 1.00 0.00 C ATOM 706 CG TRP A 42 -11.219 -0.822 -10.379 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.246 -0.840 -11.260 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.567 -1.802 -9.351 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.230 -1.701 -10.815 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.858 -2.336 -9.650 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.903 -2.331 -8.222 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.465 -3.325 -8.860 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.492 -3.338 -7.434 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.774 -3.829 -7.745 1.00 0.00 C ATOM 0 H TRP A 42 -9.114 -0.576 -12.584 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.927 1.433 -11.813 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.124 -0.660 -10.597 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.838 0.526 -9.522 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.290 -0.267 -12.174 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.121 -1.848 -11.289 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.925 -1.956 -7.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.450 -3.694 -9.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.957 -3.737 -6.585 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.226 -4.592 -7.128 1.00 0.00 H new ATOM 725 N LEU A 43 -7.884 2.501 -11.435 1.00 0.00 N ATOM 726 CA LEU A 43 -7.128 3.768 -11.287 1.00 0.00 C ATOM 727 C LEU A 43 -6.975 4.597 -12.586 1.00 0.00 C ATOM 728 O LEU A 43 -6.255 5.594 -12.607 1.00 0.00 O ATOM 729 CB LEU A 43 -5.825 3.513 -10.509 1.00 0.00 C ATOM 730 CG LEU A 43 -4.828 2.597 -11.234 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.720 3.387 -11.930 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.172 1.636 -10.246 1.00 0.00 C ATOM 0 H LEU A 43 -7.299 1.714 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.735 4.443 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.342 4.469 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.072 3.071 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.399 2.050 -11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.039 2.697 -12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.160 4.059 -12.667 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.169 3.969 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.468 0.994 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.641 2.205 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.938 1.022 -9.773 1.00 0.00 H new ATOM 744 N GLU A 44 -7.702 4.245 -13.651 1.00 0.00 N ATOM 745 CA GLU A 44 -7.702 4.921 -14.962 1.00 0.00 C ATOM 746 C GLU A 44 -9.085 5.476 -15.317 1.00 0.00 C ATOM 747 O GLU A 44 -9.206 6.628 -15.724 1.00 0.00 O ATOM 748 CB GLU A 44 -7.252 3.906 -16.031 1.00 0.00 C ATOM 749 CG GLU A 44 -6.032 4.345 -16.857 1.00 0.00 C ATOM 750 CD GLU A 44 -6.386 5.009 -18.207 1.00 0.00 C ATOM 751 OE1 GLU A 44 -7.465 5.632 -18.343 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.571 4.905 -19.156 1.00 0.00 O ATOM 0 H GLU A 44 -8.336 3.446 -13.627 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.017 5.768 -14.921 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.021 2.960 -15.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.085 3.719 -16.709 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.439 5.043 -16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.404 3.475 -17.047 1.00 0.00 H new ATOM 759 N THR A 45 -10.150 4.713 -15.059 1.00 0.00 N ATOM 760 CA THR A 45 -11.549 5.140 -15.194 1.00 0.00 C ATOM 761 C THR A 45 -11.813 6.507 -14.547 1.00 0.00 C ATOM 762 O THR A 45 -12.536 7.337 -15.100 1.00 0.00 O ATOM 763 CB THR A 45 -12.480 4.070 -14.609 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.398 2.882 -15.370 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.954 4.469 -14.564 1.00 0.00 C ATOM 0 H THR A 45 -10.062 3.748 -14.740 1.00 0.00 H new ATOM 0 HA THR A 45 -11.755 5.256 -16.258 1.00 0.00 H new ATOM 0 HB THR A 45 -12.135 3.934 -13.584 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.535 2.447 -15.205 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.539 3.654 -14.137 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.071 5.361 -13.949 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.306 4.677 -15.575 1.00 0.00 H new ATOM 773 N ILE A 46 -11.173 6.766 -13.400 1.00 0.00 N ATOM 774 CA ILE A 46 -11.279 8.029 -12.653 1.00 0.00 C ATOM 775 C ILE A 46 -10.698 9.246 -13.389 1.00 0.00 C ATOM 776 O ILE A 46 -11.261 10.340 -13.295 1.00 0.00 O ATOM 777 CB ILE A 46 -10.664 7.850 -11.244 1.00 0.00 C ATOM 778 CG1 ILE A 46 -11.366 6.724 -10.446 1.00 0.00 C ATOM 779 CG2 ILE A 46 -10.686 9.149 -10.416 1.00 0.00 C ATOM 780 CD1 ILE A 46 -12.903 6.789 -10.450 1.00 0.00 C ATOM 0 H ILE A 46 -10.553 6.090 -12.954 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.341 8.257 -12.557 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.624 7.572 -11.415 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.056 5.762 -10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.018 6.759 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.242 8.964 -9.438 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.115 9.920 -10.933 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.716 9.483 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.304 5.960 -9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.228 7.733 -10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.267 6.720 -11.475 1.00 0.00 H new ATOM 792 N LEU A 47 -9.611 9.079 -14.150 1.00 0.00 N ATOM 793 CA LEU A 47 -8.988 10.179 -14.899 1.00 0.00 C ATOM 794 C LEU A 47 -9.840 10.662 -16.093 1.00 0.00 C ATOM 795 O LEU A 47 -9.729 11.820 -16.502 1.00 0.00 O ATOM 796 CB LEU A 47 -7.512 9.860 -15.242 1.00 0.00 C ATOM 797 CG LEU A 47 -7.199 9.119 -16.560 1.00 0.00 C ATOM 798 CD1 LEU A 47 -7.079 10.051 -17.767 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.858 8.391 -16.433 1.00 0.00 C ATOM 0 H LEU A 47 -9.139 8.182 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.957 11.048 -14.242 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.965 10.803 -15.255 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.104 9.266 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.034 8.437 -16.724 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.858 9.465 -18.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.018 10.587 -17.908 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.275 10.767 -17.595 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.638 7.868 -17.364 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.069 9.115 -16.228 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.911 7.671 -15.616 1.00 0.00 H new ATOM 811 N GLY A 48 -10.712 9.796 -16.621 1.00 0.00 N ATOM 812 CA GLY A 48 -11.671 10.120 -17.687 1.00 0.00 C ATOM 813 C GLY A 48 -12.360 8.902 -18.326 1.00 0.00 C ATOM 814 O GLY A 48 -13.446 9.027 -18.890 1.00 0.00 O ATOM 0 H GLY A 48 -10.773 8.826 -16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.436 10.781 -17.280 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.152 10.677 -18.467 1.00 0.00 H new HETATM 818 N NH2 A 49 -11.774 7.713 -18.242 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.362 -19.816 -5.047 1.00 0.00 C HETATM 823 O ACE B 0 9.526 -19.089 -4.522 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.097 -21.292 -5.210 1.00 0.00 C HETATM 0 H1 ACE B 0 10.126 -21.552 -6.268 1.00 0.00 H new HETATM 0 H2 ACE B 0 10.859 -21.860 -4.676 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.114 -21.532 -4.804 1.00 0.00 H new ATOM 828 N ASP B 1 11.525 -19.365 -5.511 1.00 0.00 N ATOM 829 CA ASP B 1 11.998 -17.972 -5.385 1.00 0.00 C ATOM 830 C ASP B 1 11.032 -16.921 -5.968 1.00 0.00 C ATOM 831 O ASP B 1 10.932 -15.798 -5.468 1.00 0.00 O ATOM 832 CB ASP B 1 13.369 -17.868 -6.063 1.00 0.00 C ATOM 833 CG ASP B 1 14.068 -16.528 -5.774 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.454 -16.287 -4.604 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.265 -15.729 -6.721 1.00 0.00 O ATOM 0 H ASP B 1 12.188 -19.967 -5.999 1.00 0.00 H new ATOM 0 HA ASP B 1 12.060 -17.744 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.003 -18.686 -5.721 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.248 -17.987 -7.140 1.00 0.00 H new ATOM 840 N TYR B 2 10.275 -17.316 -6.993 1.00 0.00 N ATOM 841 CA TYR B 2 9.218 -16.510 -7.618 1.00 0.00 C ATOM 842 C TYR B 2 8.154 -16.018 -6.624 1.00 0.00 C ATOM 843 O TYR B 2 7.672 -14.893 -6.742 1.00 0.00 O ATOM 844 CB TYR B 2 8.565 -17.306 -8.758 1.00 0.00 C ATOM 845 CG TYR B 2 7.636 -18.437 -8.346 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.151 -19.719 -8.063 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.248 -18.204 -8.249 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.288 -20.753 -7.653 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.381 -19.239 -7.847 1.00 0.00 C ATOM 850 CZ TYR B 2 5.902 -20.513 -7.534 1.00 0.00 C ATOM 851 OH TYR B 2 5.080 -21.501 -7.089 1.00 0.00 O ATOM 0 H TYR B 2 10.382 -18.233 -7.426 1.00 0.00 H new ATOM 0 HA TYR B 2 9.695 -15.614 -8.014 1.00 0.00 H new ATOM 0 HB2 TYR B 2 8.002 -16.611 -9.381 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.356 -17.723 -9.381 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.210 -19.908 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.849 -17.228 -8.484 1.00 0.00 H new ATOM 0 HE1 TYR B 2 7.687 -21.731 -7.429 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.319 -19.058 -7.778 1.00 0.00 H new ATOM 0 HH TYR B 2 4.157 -21.172 -7.064 1.00 0.00 H new ATOM 861 N LEU B 3 7.824 -16.834 -5.618 1.00 0.00 N ATOM 862 CA LEU B 3 6.877 -16.498 -4.544 1.00 0.00 C ATOM 863 C LEU B 3 7.401 -15.339 -3.695 1.00 0.00 C ATOM 864 O LEU B 3 6.678 -14.375 -3.446 1.00 0.00 O ATOM 865 CB LEU B 3 6.635 -17.716 -3.630 1.00 0.00 C ATOM 866 CG LEU B 3 5.946 -18.902 -4.321 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.079 -20.156 -3.458 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.459 -18.623 -4.558 1.00 0.00 C ATOM 0 H LEU B 3 8.217 -17.771 -5.523 1.00 0.00 H new ATOM 0 HA LEU B 3 5.940 -16.204 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.592 -18.051 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.027 -17.403 -2.781 1.00 0.00 H new ATOM 0 HG LEU B 3 6.434 -19.052 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.588 -20.993 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.134 -20.388 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.610 -19.983 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.001 -19.482 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.965 -18.445 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.350 -17.743 -5.192 1.00 0.00 H new ATOM 880 N ARG B 4 8.676 -15.402 -3.291 1.00 0.00 N ATOM 881 CA ARG B 4 9.331 -14.318 -2.546 1.00 0.00 C ATOM 882 C ARG B 4 9.329 -13.026 -3.360 1.00 0.00 C ATOM 883 O ARG B 4 8.972 -11.978 -2.832 1.00 0.00 O ATOM 884 CB ARG B 4 10.748 -14.749 -2.126 1.00 0.00 C ATOM 885 CG ARG B 4 11.281 -13.868 -0.987 1.00 0.00 C ATOM 886 CD ARG B 4 12.686 -14.298 -0.551 1.00 0.00 C ATOM 887 NE ARG B 4 13.084 -13.625 0.703 1.00 0.00 N ATOM 888 CZ ARG B 4 14.307 -13.496 1.187 1.00 0.00 C ATOM 889 NH1 ARG B 4 15.359 -13.920 0.546 1.00 0.00 N ATOM 890 NH2 ARG B 4 14.498 -12.932 2.346 1.00 0.00 N ATOM 0 H ARG B 4 9.281 -16.203 -3.470 1.00 0.00 H new ATOM 0 HA ARG B 4 8.769 -14.114 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.735 -15.791 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.419 -14.686 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.302 -12.827 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.602 -13.923 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.712 -15.379 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.402 -14.061 -1.338 1.00 0.00 H new ATOM 0 HE ARG B 4 12.332 -13.215 1.256 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.255 -14.370 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.287 -13.802 0.953 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.702 -12.588 2.883 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.443 -12.834 2.716 1.00 0.00 H new ATOM 904 N GLU B 5 9.640 -13.105 -4.655 1.00 0.00 N ATOM 905 CA GLU B 5 9.605 -11.948 -5.564 1.00 0.00 C ATOM 906 C GLU B 5 8.188 -11.348 -5.722 1.00 0.00 C ATOM 907 O GLU B 5 8.034 -10.126 -5.772 1.00 0.00 O ATOM 908 CB GLU B 5 10.218 -12.351 -6.914 1.00 0.00 C ATOM 909 CG GLU B 5 10.445 -11.150 -7.839 1.00 0.00 C ATOM 910 CD GLU B 5 11.260 -11.552 -9.084 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.670 -12.080 -10.058 1.00 0.00 O ATOM 912 OE2 GLU B 5 12.495 -11.329 -9.105 1.00 0.00 O ATOM 0 H GLU B 5 9.924 -13.973 -5.108 1.00 0.00 H new ATOM 0 HA GLU B 5 10.202 -11.149 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU B 5 11.168 -12.857 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU B 5 9.561 -13.067 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU B 5 9.484 -10.738 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.969 -10.363 -7.296 1.00 0.00 H new ATOM 919 N LEU B 6 7.151 -12.195 -5.737 1.00 0.00 N ATOM 920 CA LEU B 6 5.731 -11.818 -5.728 1.00 0.00 C ATOM 921 C LEU B 6 5.337 -11.035 -4.462 1.00 0.00 C ATOM 922 O LEU B 6 4.849 -9.905 -4.545 1.00 0.00 O ATOM 923 CB LEU B 6 4.889 -13.111 -5.869 1.00 0.00 C ATOM 924 CG LEU B 6 4.135 -13.254 -7.194 1.00 0.00 C ATOM 925 CD1 LEU B 6 5.023 -13.164 -8.440 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.437 -14.617 -7.231 1.00 0.00 C ATOM 0 H LEU B 6 7.284 -13.206 -5.757 1.00 0.00 H new ATOM 0 HA LEU B 6 5.538 -11.146 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.549 -13.970 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.168 -13.147 -5.053 1.00 0.00 H new ATOM 0 HG LEU B 6 3.437 -12.418 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.409 -13.275 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.523 -12.195 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.770 -13.957 -8.412 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.898 -14.724 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.181 -15.409 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.734 -14.689 -6.401 1.00 0.00 H new ATOM 938 N LEU B 7 5.553 -11.635 -3.287 1.00 0.00 N ATOM 939 CA LEU B 7 5.202 -11.056 -1.985 1.00 0.00 C ATOM 940 C LEU B 7 5.982 -9.764 -1.663 1.00 0.00 C ATOM 941 O LEU B 7 5.393 -8.814 -1.140 1.00 0.00 O ATOM 942 CB LEU B 7 5.384 -12.095 -0.858 1.00 0.00 C ATOM 943 CG LEU B 7 4.187 -13.048 -0.656 1.00 0.00 C ATOM 944 CD1 LEU B 7 4.102 -14.171 -1.687 1.00 0.00 C ATOM 945 CD2 LEU B 7 4.285 -13.715 0.714 1.00 0.00 C ATOM 0 H LEU B 7 5.986 -12.556 -3.212 1.00 0.00 H new ATOM 0 HA LEU B 7 4.151 -10.775 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.272 -12.690 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU B 7 5.572 -11.567 0.077 1.00 0.00 H new ATOM 0 HG LEU B 7 3.301 -12.421 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU B 7 3.234 -14.795 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.005 -13.743 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.006 -14.778 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.438 -14.387 0.853 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.213 -14.283 0.777 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.274 -12.952 1.492 1.00 0.00 H new ATOM 957 N LYS B 8 7.278 -9.696 -2.003 1.00 0.00 N ATOM 958 CA LYS B 8 8.177 -8.530 -1.829 1.00 0.00 C ATOM 959 C LYS B 8 7.880 -7.394 -2.833 1.00 0.00 C ATOM 960 O LYS B 8 8.787 -6.880 -3.493 1.00 0.00 O ATOM 961 CB LYS B 8 9.649 -8.997 -1.915 1.00 0.00 C ATOM 962 CG LYS B 8 10.099 -9.940 -0.782 1.00 0.00 C ATOM 963 CD LYS B 8 10.530 -9.242 0.518 1.00 0.00 C ATOM 964 CE LYS B 8 11.832 -8.449 0.324 1.00 0.00 C ATOM 965 NZ LYS B 8 12.422 -8.021 1.620 1.00 0.00 N ATOM 0 H LYS B 8 7.758 -10.489 -2.429 1.00 0.00 H new ATOM 0 HA LYS B 8 7.993 -8.106 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.799 -9.502 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.294 -8.118 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.282 -10.624 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.930 -10.545 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.739 -8.570 0.851 1.00 0.00 H new ATOM 0 HD3 LYS B 8 10.669 -9.985 1.303 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.553 -9.062 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.634 -7.572 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.298 -7.489 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.745 -7.415 2.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.636 -8.859 2.198 1.00 0.00 H new ATOM 979 N GLY B 9 6.611 -7.002 -2.978 1.00 0.00 N ATOM 980 CA GLY B 9 6.202 -5.963 -3.919 1.00 0.00 C ATOM 981 C GLY B 9 4.768 -5.455 -3.825 1.00 0.00 C ATOM 982 O GLY B 9 4.533 -4.255 -3.943 1.00 0.00 O ATOM 0 H GLY B 9 5.839 -7.399 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.870 -5.111 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.359 -6.342 -4.929 1.00 0.00 H new ATOM 986 N GLU B 10 3.812 -6.329 -3.524 1.00 0.00 N ATOM 987 CA GLU B 10 2.414 -5.950 -3.246 1.00 0.00 C ATOM 988 C GLU B 10 2.311 -4.922 -2.096 1.00 0.00 C ATOM 989 O GLU B 10 1.509 -3.990 -2.159 1.00 0.00 O ATOM 990 CB GLU B 10 1.622 -7.223 -2.889 1.00 0.00 C ATOM 991 CG GLU B 10 1.398 -8.254 -4.014 1.00 0.00 C ATOM 992 CD GLU B 10 0.111 -8.006 -4.806 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.233 -6.947 -5.354 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.890 -8.745 -4.842 1.00 0.00 O ATOM 0 H GLU B 10 3.979 -7.333 -3.463 1.00 0.00 H new ATOM 0 HA GLU B 10 1.999 -5.477 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.139 -7.724 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.646 -6.918 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.248 -8.230 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.365 -9.254 -3.581 1.00 0.00 H new ATOM 1001 N LEU B 11 3.181 -5.028 -1.082 1.00 0.00 N ATOM 1002 CA LEU B 11 3.284 -4.140 0.076 1.00 0.00 C ATOM 1003 C LEU B 11 3.683 -2.709 -0.334 1.00 0.00 C ATOM 1004 O LEU B 11 3.191 -1.727 0.223 1.00 0.00 O ATOM 1005 CB LEU B 11 4.265 -4.854 1.043 1.00 0.00 C ATOM 1006 CG LEU B 11 5.164 -3.967 1.905 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.393 -3.213 2.991 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.236 -4.813 2.593 1.00 0.00 C ATOM 0 H LEU B 11 3.869 -5.780 -1.050 1.00 0.00 H new ATOM 0 HA LEU B 11 2.331 -3.979 0.580 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.681 -5.491 1.708 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.904 -5.511 0.452 1.00 0.00 H new ATOM 0 HG LEU B 11 5.608 -3.238 1.227 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.085 -2.601 3.570 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.643 -2.573 2.527 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.902 -3.928 3.651 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.870 -4.170 3.204 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.759 -5.560 3.227 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.845 -5.312 1.839 1.00 0.00 H new ATOM 1020 N GLN B 12 4.508 -2.600 -1.374 1.00 0.00 N ATOM 1021 CA GLN B 12 4.924 -1.344 -1.993 1.00 0.00 C ATOM 1022 C GLN B 12 3.745 -0.605 -2.654 1.00 0.00 C ATOM 1023 O GLN B 12 3.806 0.610 -2.843 1.00 0.00 O ATOM 1024 CB GLN B 12 6.054 -1.622 -3.007 1.00 0.00 C ATOM 1025 CG GLN B 12 7.118 -0.514 -3.054 1.00 0.00 C ATOM 1026 CD GLN B 12 8.049 -0.559 -1.841 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.823 0.078 -0.819 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.125 -1.319 -1.895 1.00 0.00 N ATOM 0 H GLN B 12 4.921 -3.416 -1.826 1.00 0.00 H new ATOM 0 HA GLN B 12 5.299 -0.683 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.535 -2.567 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.620 -1.741 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.706 -0.615 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.627 0.458 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.328 -1.856 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.754 -1.370 -1.094 1.00 0.00 H new ATOM 1037 N GLY B 13 2.652 -1.320 -2.959 1.00 0.00 N ATOM 1038 CA GLY B 13 1.395 -0.755 -3.449 1.00 0.00 C ATOM 1039 C GLY B 13 0.450 -0.381 -2.307 1.00 0.00 C ATOM 1040 O GLY B 13 -0.088 0.725 -2.318 1.00 0.00 O ATOM 0 H GLY B 13 2.622 -2.335 -2.868 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.605 0.130 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.905 -1.476 -4.104 1.00 0.00 H new ATOM 1044 N ILE B 14 0.310 -1.238 -1.281 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.583 -0.994 -0.121 1.00 0.00 C ATOM 1046 C ILE B 14 -0.330 0.395 0.493 1.00 0.00 C ATOM 1047 O ILE B 14 -1.265 1.179 0.672 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.433 -2.093 0.966 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.811 -3.495 0.443 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.296 -1.777 2.206 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.430 -4.637 1.398 1.00 0.00 C ATOM 0 H ILE B 14 0.812 -2.124 -1.227 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.606 -1.030 -0.497 1.00 0.00 H new ATOM 0 HB ILE B 14 0.622 -2.098 1.242 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.886 -3.528 0.263 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.322 -3.658 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.169 -2.565 2.948 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.985 -0.823 2.632 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.345 -1.719 1.914 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.727 -5.591 0.962 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.648 -4.632 1.559 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.940 -4.499 2.351 1.00 0.00 H new ATOM 1063 N LYS B 15 0.940 0.719 0.782 1.00 0.00 N ATOM 1064 CA LYS B 15 1.321 1.985 1.428 1.00 0.00 C ATOM 1065 C LYS B 15 1.234 3.214 0.515 1.00 0.00 C ATOM 1066 O LYS B 15 0.948 4.310 0.993 1.00 0.00 O ATOM 1067 CB LYS B 15 2.714 1.869 2.078 1.00 0.00 C ATOM 1068 CG LYS B 15 2.584 1.456 3.556 1.00 0.00 C ATOM 1069 CD LYS B 15 3.924 1.369 4.304 1.00 0.00 C ATOM 1070 CE LYS B 15 4.667 2.715 4.331 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.865 2.666 5.212 1.00 0.00 N ATOM 0 H LYS B 15 1.732 0.111 0.574 1.00 0.00 H new ATOM 0 HA LYS B 15 0.576 2.155 2.205 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.313 1.135 1.540 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.237 2.823 2.005 1.00 0.00 H new ATOM 0 HG2 LYS B 15 1.941 2.173 4.067 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.087 0.487 3.609 1.00 0.00 H new ATOM 0 HD2 LYS B 15 3.746 1.035 5.326 1.00 0.00 H new ATOM 0 HD3 LYS B 15 4.555 0.618 3.828 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.970 2.983 3.319 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.991 3.496 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.340 3.591 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.573 2.435 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.521 1.938 4.865 1.00 0.00 H new ATOM 1085 N GLN B 16 1.439 3.043 -0.792 1.00 0.00 N ATOM 1086 CA GLN B 16 1.350 4.115 -1.785 1.00 0.00 C ATOM 1087 C GLN B 16 -0.096 4.491 -2.096 1.00 0.00 C ATOM 1088 O GLN B 16 -0.412 5.673 -2.254 1.00 0.00 O ATOM 1089 CB GLN B 16 2.069 3.670 -3.069 1.00 0.00 C ATOM 1090 CG GLN B 16 3.562 4.032 -3.067 1.00 0.00 C ATOM 1091 CD GLN B 16 3.788 5.533 -3.257 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.567 6.093 -4.322 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.225 6.251 -2.242 1.00 0.00 N ATOM 0 H GLN B 16 1.676 2.138 -1.198 1.00 0.00 H new ATOM 0 HA GLN B 16 1.830 5.002 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.961 2.592 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.588 4.134 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN B 16 4.011 3.714 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.069 3.486 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.415 5.804 -1.345 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.373 7.254 -2.353 1.00 0.00 H new ATOM 1102 N TYR B 17 -0.991 3.506 -2.115 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.404 3.748 -2.367 1.00 0.00 C ATOM 1104 C TYR B 17 -3.069 4.616 -1.298 1.00 0.00 C ATOM 1105 O TYR B 17 -3.965 5.402 -1.615 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.123 2.403 -2.481 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.048 1.751 -3.855 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.285 2.496 -5.031 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.753 0.378 -3.952 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.184 1.878 -6.290 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.644 -0.243 -5.212 1.00 0.00 C ATOM 1112 CZ TYR B 17 -2.864 0.509 -6.386 1.00 0.00 C ATOM 1113 OH TYR B 17 -2.875 -0.094 -7.605 1.00 0.00 O ATOM 0 H TYR B 17 -0.757 2.526 -1.957 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.481 4.307 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.700 1.718 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.171 2.544 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.544 3.542 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.609 -0.204 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.352 2.455 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.393 -1.291 -5.279 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.790 -1.064 -7.491 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.616 4.523 -0.042 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.175 5.320 1.050 1.00 0.00 C ATOM 1125 C ARG B 18 -2.845 6.819 0.931 1.00 0.00 C ATOM 1126 O ARG B 18 -3.645 7.652 1.350 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.748 4.718 2.389 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.545 3.443 2.729 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.197 2.882 4.115 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.021 1.696 4.448 1.00 0.00 N ATOM 1131 CZ ARG B 18 -5.207 1.676 5.033 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -5.819 2.772 5.395 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.818 0.550 5.271 1.00 0.00 N ATOM 0 H ARG B 18 -1.860 3.900 0.241 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.262 5.276 0.985 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.684 4.483 2.358 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.889 5.455 3.179 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.612 3.664 2.688 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.347 2.683 1.973 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -2.141 2.612 4.144 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -3.349 3.654 4.869 1.00 0.00 H new ATOM 0 HE ARG B 18 -3.627 0.789 4.197 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -5.382 3.679 5.229 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -6.733 2.721 5.844 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -5.382 -0.333 5.005 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -6.732 0.552 5.723 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.717 7.172 0.307 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.325 8.560 0.001 1.00 0.00 C ATOM 1149 C GLU B 19 -2.041 9.145 -1.231 1.00 0.00 C ATOM 1150 O GLU B 19 -2.332 10.338 -1.272 1.00 0.00 O ATOM 1151 CB GLU B 19 0.196 8.602 -0.229 1.00 0.00 C ATOM 1152 CG GLU B 19 0.923 9.320 0.914 1.00 0.00 C ATOM 1153 CD GLU B 19 2.451 9.280 0.720 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.979 10.027 -0.140 1.00 0.00 O ATOM 1155 OE2 GLU B 19 3.139 8.513 1.436 1.00 0.00 O ATOM 0 H GLU B 19 -1.031 6.487 -0.009 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.621 9.173 0.852 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.578 7.585 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.408 9.109 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU B 19 0.588 10.356 0.966 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.663 8.852 1.864 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.355 8.321 -2.232 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.058 8.742 -3.448 1.00 0.00 C ATOM 1164 C ALA B 20 -4.479 9.249 -3.155 1.00 0.00 C ATOM 1165 O ALA B 20 -4.948 10.191 -3.795 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.069 7.570 -4.439 1.00 0.00 C ATOM 0 H ALA B 20 -2.125 7.327 -2.222 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.528 9.587 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.589 7.868 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.044 7.289 -4.682 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.582 6.719 -3.990 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.139 8.685 -2.137 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.466 9.111 -1.689 1.00 0.00 C ATOM 1174 C LEU B 21 -6.488 10.561 -1.200 1.00 0.00 C ATOM 1175 O LEU B 21 -7.518 11.217 -1.327 1.00 0.00 O ATOM 1176 CB LEU B 21 -6.983 8.101 -0.648 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.499 8.158 -0.356 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.017 6.767 0.022 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.859 9.078 0.816 1.00 0.00 C ATOM 0 H LEU B 21 -4.759 7.909 -1.595 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.150 9.110 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -6.735 7.096 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.445 8.262 0.286 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.953 8.541 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.087 6.820 0.226 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -8.838 6.076 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -8.495 6.414 0.912 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.939 9.071 0.966 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.365 8.725 1.721 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.530 10.094 0.596 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.361 11.115 -0.745 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.302 12.549 -0.408 1.00 0.00 C ATOM 1193 C GLU B 22 -5.529 13.470 -1.620 1.00 0.00 C ATOM 1194 O GLU B 22 -6.065 14.570 -1.462 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.977 12.898 0.291 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.153 13.258 1.771 1.00 0.00 C ATOM 1197 CD GLU B 22 -4.594 12.051 2.625 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -3.719 11.283 3.094 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -5.815 11.890 2.865 1.00 0.00 O ATOM 0 H GLU B 22 -4.488 10.607 -0.602 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.128 12.730 0.280 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.296 12.051 0.208 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.510 13.735 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -3.213 13.650 2.160 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.893 14.053 1.863 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.177 13.012 -2.825 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.426 13.703 -4.092 1.00 0.00 C ATOM 1208 C TYR B 23 -6.745 13.277 -4.765 1.00 0.00 C ATOM 1209 O TYR B 23 -7.430 14.136 -5.328 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.229 13.474 -5.028 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.021 14.338 -4.700 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.240 14.080 -3.554 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.697 15.427 -5.534 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.157 14.919 -3.228 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.607 16.261 -5.218 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.837 16.015 -4.060 1.00 0.00 C ATOM 1217 OH TYR B 23 0.203 16.840 -3.754 1.00 0.00 O ATOM 0 H TYR B 23 -4.695 12.121 -2.949 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.536 14.766 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.938 12.425 -4.980 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.539 13.673 -6.054 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.474 13.235 -2.924 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -3.286 15.622 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.571 14.725 -2.342 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -1.359 17.091 -5.863 1.00 0.00 H new ATOM 0 HH TYR B 23 0.278 17.539 -4.437 1.00 0.00 H new ATOM 1227 N THR B 24 -7.143 11.997 -4.705 1.00 0.00 N ATOM 1228 CA THR B 24 -8.330 11.499 -5.442 1.00 0.00 C ATOM 1229 C THR B 24 -9.625 11.466 -4.626 1.00 0.00 C ATOM 1230 O THR B 24 -10.705 11.567 -5.211 1.00 0.00 O ATOM 1231 CB THR B 24 -8.122 10.088 -6.015 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.121 9.143 -4.970 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.836 9.920 -6.823 1.00 0.00 C ATOM 0 H THR B 24 -6.665 11.283 -4.156 1.00 0.00 H new ATOM 0 HA THR B 24 -8.439 12.233 -6.241 1.00 0.00 H new ATOM 0 HB THR B 24 -8.952 9.927 -6.703 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.151 8.239 -5.347 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.768 8.896 -7.190 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.845 10.609 -7.668 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.977 10.136 -6.188 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.544 11.291 -3.299 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.657 11.014 -2.363 1.00 0.00 C ATOM 1243 C HIS B 25 -11.701 9.982 -2.860 1.00 0.00 C ATOM 1244 O HIS B 25 -12.869 10.030 -2.467 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.262 12.352 -1.890 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.371 13.073 -0.905 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.499 13.036 0.473 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.262 13.817 -1.199 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.483 13.745 1.006 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.725 14.238 0.004 1.00 0.00 N ATOM 0 H HIS B 25 -8.647 11.341 -2.815 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.238 10.496 -1.501 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.437 12.993 -2.754 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.232 12.166 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.878 14.035 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.305 13.894 2.061 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.896 14.822 0.115 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.306 9.054 -3.740 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.227 8.136 -4.423 1.00 0.00 C ATOM 1261 C ASN B 26 -12.499 6.840 -3.624 1.00 0.00 C ATOM 1262 O ASN B 26 -11.582 6.311 -2.986 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.667 7.828 -5.827 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.394 8.616 -6.900 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.277 8.108 -7.571 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.091 9.881 -7.071 1.00 0.00 N ATOM 0 H ASN B 26 -10.329 8.918 -4.001 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.196 8.627 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.604 8.066 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.760 6.761 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.593 10.437 -7.763 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.353 10.309 -6.512 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.715 6.255 -3.724 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.055 4.975 -3.089 1.00 0.00 C ATOM 1275 C PRO B 27 -13.356 3.777 -3.755 1.00 0.00 C ATOM 1276 O PRO B 27 -13.259 2.701 -3.169 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.578 4.859 -3.214 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.882 5.615 -4.506 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.860 6.751 -4.485 1.00 0.00 C ATOM 0 HA PRO B 27 -13.718 4.956 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.899 3.819 -3.271 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.087 5.303 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.762 4.980 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.905 5.992 -4.523 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.564 7.028 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.279 7.643 -4.020 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.852 3.954 -4.978 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.152 2.918 -5.750 1.00 0.00 C ATOM 1289 C VAL B 28 -10.801 2.541 -5.143 1.00 0.00 C ATOM 1290 O VAL B 28 -10.456 1.361 -5.108 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.003 3.359 -7.210 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.521 2.188 -8.050 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.322 3.845 -7.827 1.00 0.00 C ATOM 0 H VAL B 28 -12.920 4.843 -5.474 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.762 2.016 -5.713 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.291 4.185 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.416 2.504 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.557 1.844 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.244 1.375 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -13.152 4.143 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.056 3.040 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.696 4.698 -7.260 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.062 3.495 -4.566 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.865 3.185 -3.782 1.00 0.00 C ATOM 1305 C LEU B 29 -9.196 2.284 -2.576 1.00 0.00 C ATOM 1306 O LEU B 29 -8.458 1.339 -2.309 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.186 4.499 -3.363 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.409 5.248 -4.463 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.746 6.463 -3.842 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.306 4.402 -5.094 1.00 0.00 C ATOM 0 H LEU B 29 -10.274 4.491 -4.629 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.167 2.616 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.950 5.168 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.498 4.283 -2.545 1.00 0.00 H new ATOM 0 HG LEU B 29 -8.127 5.510 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -6.191 7.006 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -7.508 7.115 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.062 6.142 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.795 4.984 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -5.591 4.106 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -6.744 3.512 -5.545 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.358 2.480 -1.940 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.918 1.598 -0.906 1.00 0.00 C ATOM 1324 C ALA B 30 -11.479 0.248 -1.436 1.00 0.00 C ATOM 1325 O ALA B 30 -12.099 -0.499 -0.675 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.956 2.388 -0.095 1.00 0.00 C ATOM 0 H ALA B 30 -10.955 3.283 -2.137 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.097 1.290 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.380 1.746 0.677 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.475 3.247 0.372 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.750 2.732 -0.758 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.225 -0.101 -2.707 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.332 -1.454 -3.272 1.00 0.00 C ATOM 1334 C LYS B 31 -9.964 -1.984 -3.695 1.00 0.00 C ATOM 1335 O LYS B 31 -9.597 -3.090 -3.314 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.286 -1.503 -4.481 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.677 -0.902 -4.244 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.561 -1.126 -5.482 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.870 -0.324 -5.435 1.00 0.00 C ATOM 1340 NZ LYS B 31 -16.755 -0.737 -4.314 1.00 0.00 N ATOM 0 H LYS B 31 -10.926 0.585 -3.400 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.740 -2.085 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.818 -0.977 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.405 -2.542 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.137 -1.362 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.591 0.164 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.003 -0.848 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.794 -2.187 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.638 0.737 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.402 -0.449 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -17.623 -0.165 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.001 -1.742 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.261 -0.593 -3.410 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.183 -1.168 -4.405 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.838 -1.520 -4.885 1.00 0.00 C ATOM 1356 C ILE B 32 -6.941 -1.865 -3.698 1.00 0.00 C ATOM 1357 O ILE B 32 -6.535 -3.017 -3.547 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.231 -0.387 -5.747 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.044 -0.046 -7.015 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -5.827 -0.821 -6.189 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.685 1.339 -7.580 1.00 0.00 C ATOM 0 H ILE B 32 -9.469 -0.225 -4.669 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.915 -2.397 -5.528 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.227 0.508 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -7.863 -0.805 -7.776 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.108 -0.077 -6.781 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.379 -0.037 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.207 -0.996 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.897 -1.739 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.282 1.534 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.892 2.103 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.627 1.363 -7.840 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.676 -0.892 -2.822 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.809 -1.092 -1.661 1.00 0.00 C ATOM 1375 C LEU B 33 -6.436 -2.024 -0.634 1.00 0.00 C ATOM 1376 O LEU B 33 -5.711 -2.732 0.060 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.342 0.260 -1.104 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.156 0.932 0.016 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.773 0.445 1.419 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.934 2.444 0.003 1.00 0.00 C ATOM 0 H LEU B 33 -7.055 0.052 -2.898 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.906 -1.615 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.324 0.130 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.293 0.959 -1.939 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.194 0.668 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.384 0.958 2.162 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.942 -0.630 1.490 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.721 0.660 1.604 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.517 2.904 0.801 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.876 2.658 0.156 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.251 2.850 -0.958 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.772 -2.077 -0.583 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.465 -3.064 0.235 1.00 0.00 C ATOM 1394 C GLU B 34 -8.102 -4.493 -0.194 1.00 0.00 C ATOM 1395 O GLU B 34 -7.824 -5.319 0.672 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.982 -2.826 0.242 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.705 -3.774 1.208 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.204 -3.437 1.336 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.022 -3.967 0.543 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.582 -2.686 2.269 1.00 0.00 O ATOM 0 H GLU B 34 -8.388 -1.448 -1.098 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.126 -2.943 1.264 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.186 -1.794 0.526 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.376 -2.964 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.593 -4.801 0.860 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.236 -3.718 2.190 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.021 -4.786 -1.498 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.658 -6.121 -1.974 1.00 0.00 C ATOM 1409 C ASP B 35 -6.179 -6.464 -1.783 1.00 0.00 C ATOM 1410 O ASP B 35 -5.868 -7.550 -1.293 1.00 0.00 O ATOM 1411 CB ASP B 35 -7.998 -6.271 -3.453 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.479 -6.138 -3.838 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.368 -6.511 -3.032 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.730 -5.709 -4.990 1.00 0.00 O ATOM 0 H ASP B 35 -8.203 -4.112 -2.242 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.239 -6.813 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.433 -5.523 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.647 -7.248 -3.785 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.254 -5.547 -2.097 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.822 -5.748 -1.830 1.00 0.00 C ATOM 1421 C GLU B 36 -3.542 -6.055 -0.344 1.00 0.00 C ATOM 1422 O GLU B 36 -2.571 -6.745 -0.035 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.018 -4.505 -2.260 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.233 -3.930 -3.671 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.828 -4.831 -4.837 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.593 -6.049 -4.657 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.760 -4.376 -6.011 1.00 0.00 O ATOM 0 H GLU B 36 -5.473 -4.654 -2.539 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.507 -6.613 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.232 -3.711 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.960 -4.747 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.288 -3.680 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.675 -2.997 -3.749 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.418 -5.617 0.569 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.295 -5.865 2.013 1.00 0.00 C ATOM 1436 C GLU B 37 -4.585 -7.334 2.387 1.00 0.00 C ATOM 1437 O GLU B 37 -4.113 -7.813 3.422 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.218 -4.892 2.772 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.692 -4.504 4.161 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.550 -3.388 4.799 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.595 -3.705 5.418 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.176 -2.189 4.711 1.00 0.00 O ATOM 0 H GLU B 37 -5.245 -5.072 0.323 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.261 -5.685 2.307 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.348 -3.988 2.176 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.202 -5.347 2.880 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.692 -5.380 4.809 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.658 -4.168 4.079 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.299 -8.071 1.520 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.428 -9.541 1.575 1.00 0.00 C ATOM 1451 C LYS B 38 -4.362 -10.253 0.762 1.00 0.00 C ATOM 1452 O LYS B 38 -3.837 -11.253 1.238 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.781 -10.045 1.044 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.008 -9.572 1.825 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.656 -8.332 1.202 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.679 -8.678 0.112 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.005 -9.029 0.689 1.00 0.00 N ATOM 0 H LYS B 38 -5.814 -7.655 0.744 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.324 -9.771 2.635 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.887 -9.727 0.007 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.769 -11.135 1.044 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.740 -10.378 1.868 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.718 -9.350 2.852 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.147 -7.753 1.984 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -7.879 -7.697 0.776 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.790 -7.830 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.309 -9.513 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.669 -9.256 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.904 -9.853 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.370 -8.223 1.235 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.062 -9.777 -0.451 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.316 -10.490 -1.483 1.00 0.00 C ATOM 1473 C HIS B 39 -2.041 -11.176 -0.982 1.00 0.00 C ATOM 1474 O HIS B 39 -1.830 -12.348 -1.277 1.00 0.00 O ATOM 1475 CB HIS B 39 -2.996 -9.472 -2.574 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.062 -9.190 -3.595 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.826 -8.501 -4.792 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.383 -9.520 -3.510 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.032 -8.423 -5.391 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -5.972 -9.042 -4.655 1.00 0.00 N ATOM 0 H HIS B 39 -4.346 -8.844 -0.749 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.931 -11.310 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.737 -8.531 -2.090 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.106 -9.814 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.868 -10.051 -2.704 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.218 -7.930 -6.334 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -6.956 -9.140 -4.905 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.225 -10.480 -0.186 1.00 0.00 N ATOM 1489 CA ILE B 40 0.020 -11.047 0.375 1.00 0.00 C ATOM 1490 C ILE B 40 -0.249 -12.307 1.215 1.00 0.00 C ATOM 1491 O ILE B 40 0.371 -13.350 0.999 1.00 0.00 O ATOM 1492 CB ILE B 40 0.792 -9.992 1.205 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.021 -8.721 0.361 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.142 -10.554 1.692 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.823 -7.617 1.056 1.00 0.00 C ATOM 0 H ILE B 40 -1.400 -9.514 0.091 1.00 0.00 H new ATOM 0 HA ILE B 40 0.643 -11.342 -0.469 1.00 0.00 H new ATOM 0 HB ILE B 40 0.193 -9.739 2.079 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.538 -9.001 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.051 -8.317 0.071 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.665 -9.794 2.272 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.967 -11.430 2.316 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.750 -10.836 0.832 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.930 -6.767 0.383 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.301 -7.301 1.959 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.810 -7.996 1.322 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.196 -12.235 2.151 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.568 -13.369 3.004 1.00 0.00 C ATOM 1509 C GLU B 41 -2.403 -14.417 2.257 1.00 0.00 C ATOM 1510 O GLU B 41 -2.248 -15.610 2.503 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.287 -12.881 4.271 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.322 -12.128 5.199 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.006 -11.717 6.518 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.230 -12.592 7.390 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.305 -10.513 6.705 1.00 0.00 O ATOM 0 H GLU B 41 -1.730 -11.387 2.341 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.644 -13.865 3.301 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.115 -12.228 3.994 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.716 -13.732 4.800 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.460 -12.758 5.417 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.947 -11.240 4.691 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.220 -14.005 1.285 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.888 -14.902 0.340 1.00 0.00 C ATOM 1524 C TRP B 42 -2.915 -15.802 -0.440 1.00 0.00 C ATOM 1525 O TRP B 42 -3.197 -16.991 -0.590 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.771 -14.056 -0.587 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.141 -13.733 -0.099 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.660 -14.037 1.112 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.197 -13.047 -0.834 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.975 -13.614 1.164 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.358 -12.987 -0.008 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.273 -12.449 -2.108 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.541 -12.361 -0.434 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.443 -11.796 -2.538 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.580 -11.762 -1.708 1.00 0.00 C ATOM 0 H TRP B 42 -3.440 -13.021 1.130 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.508 -15.600 0.902 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.252 -13.119 -0.788 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.864 -14.579 -1.539 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.131 -14.532 1.913 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.588 -13.748 1.968 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.418 -12.493 -2.766 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.410 -12.339 0.207 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.469 -11.320 -3.507 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.482 -11.276 -2.049 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.751 -15.296 -0.871 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.685 -16.149 -1.418 1.00 0.00 C ATOM 1548 C LEU B 43 -0.060 -17.030 -0.325 1.00 0.00 C ATOM 1549 O LEU B 43 0.052 -18.247 -0.483 1.00 0.00 O ATOM 1550 CB LEU B 43 0.415 -15.294 -2.068 1.00 0.00 C ATOM 1551 CG LEU B 43 -0.046 -14.440 -3.256 1.00 0.00 C ATOM 1552 CD1 LEU B 43 1.102 -13.532 -3.682 1.00 0.00 C ATOM 1553 CD2 LEU B 43 -0.498 -15.259 -4.466 1.00 0.00 C ATOM 0 H LEU B 43 -1.523 -14.302 -0.852 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.139 -16.792 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.839 -14.636 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.216 -15.953 -2.402 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.913 -13.872 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU B 43 0.787 -12.919 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU B 43 1.383 -12.886 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU B 43 1.958 -14.140 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.809 -14.586 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.328 -15.879 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -1.335 -15.896 -4.182 1.00 0.00 H new ATOM 1565 N GLU B 44 0.349 -16.415 0.789 1.00 0.00 N ATOM 1566 CA GLU B 44 1.121 -17.085 1.846 1.00 0.00 C ATOM 1567 C GLU B 44 0.375 -18.241 2.540 1.00 0.00 C ATOM 1568 O GLU B 44 0.993 -19.262 2.847 1.00 0.00 O ATOM 1569 CB GLU B 44 1.609 -16.054 2.877 1.00 0.00 C ATOM 1570 CG GLU B 44 2.751 -16.613 3.741 1.00 0.00 C ATOM 1571 CD GLU B 44 3.373 -15.532 4.646 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.664 -14.981 5.522 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.589 -15.249 4.512 1.00 0.00 O ATOM 0 H GLU B 44 0.154 -15.433 0.986 1.00 0.00 H new ATOM 0 HA GLU B 44 1.974 -17.549 1.350 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.949 -15.156 2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 44 0.778 -15.759 3.518 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.373 -17.429 4.358 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.522 -17.033 3.095 1.00 0.00 H new ATOM 1580 N THR B 45 -0.945 -18.136 2.749 1.00 0.00 N ATOM 1581 CA THR B 45 -1.761 -19.184 3.397 1.00 0.00 C ATOM 1582 C THR B 45 -1.675 -20.539 2.679 1.00 0.00 C ATOM 1583 O THR B 45 -1.682 -21.583 3.337 1.00 0.00 O ATOM 1584 CB THR B 45 -3.220 -18.705 3.542 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.265 -17.713 4.548 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.212 -19.786 3.977 1.00 0.00 C ATOM 0 H THR B 45 -1.485 -17.316 2.472 1.00 0.00 H new ATOM 0 HA THR B 45 -1.347 -19.352 4.391 1.00 0.00 H new ATOM 0 HB THR B 45 -3.512 -18.359 2.551 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.987 -16.852 4.171 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.210 -19.355 4.052 1.00 0.00 H new ATOM 0 HG22 THR B 45 -4.218 -20.591 3.242 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.915 -20.183 4.948 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.522 -20.553 1.349 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.381 -21.789 0.556 1.00 0.00 C ATOM 1596 C ILE B 46 -0.067 -22.523 0.875 1.00 0.00 C ATOM 1597 O ILE B 46 -0.025 -23.754 0.904 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.468 -21.480 -0.958 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.650 -20.559 -1.338 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.549 -22.777 -1.783 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -4.026 -20.981 -0.801 1.00 0.00 C ATOM 0 H ILE B 46 -1.492 -19.703 0.785 1.00 0.00 H new ATOM 0 HA ILE B 46 -2.206 -22.447 0.830 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.550 -20.942 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.433 -19.554 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.707 -20.502 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.609 -22.531 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.660 -23.380 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.435 -23.340 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.780 -20.265 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.277 -21.971 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.999 -21.007 0.288 1.00 0.00 H new ATOM 1613 N LEU B 47 1.001 -21.771 1.154 1.00 0.00 N ATOM 1614 CA LEU B 47 2.357 -22.288 1.384 1.00 0.00 C ATOM 1615 C LEU B 47 2.510 -23.024 2.733 1.00 0.00 C ATOM 1616 O LEU B 47 3.468 -23.779 2.916 1.00 0.00 O ATOM 1617 CB LEU B 47 3.373 -21.133 1.269 1.00 0.00 C ATOM 1618 CG LEU B 47 3.230 -20.250 0.011 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.327 -19.186 -0.002 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.303 -21.057 -1.288 1.00 0.00 C ATOM 0 H LEU B 47 0.947 -20.755 1.229 1.00 0.00 H new ATOM 0 HA LEU B 47 2.555 -23.035 0.615 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.278 -20.499 2.150 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.379 -21.553 1.285 1.00 0.00 H new ATOM 0 HG LEU B 47 2.244 -19.787 0.059 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.222 -18.566 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.240 -18.562 0.888 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.303 -19.670 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.197 -20.385 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.264 -21.567 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU B 47 2.500 -21.794 -1.304 1.00 0.00 H new ATOM 1632 N GLY B 48 1.556 -22.841 3.654 1.00 0.00 N ATOM 1633 CA GLY B 48 1.471 -23.538 4.944 1.00 0.00 C ATOM 1634 C GLY B 48 0.471 -24.707 4.967 1.00 0.00 C ATOM 1635 O GLY B 48 0.277 -25.339 6.005 1.00 0.00 O ATOM 0 H GLY B 48 0.793 -22.178 3.516 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.459 -23.916 5.206 1.00 0.00 H new ATOM 0 HA3 GLY B 48 1.190 -22.820 5.714 1.00 0.00 H new HETATM 1639 N NH2 B 49 -0.181 -25.025 3.852 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -2.752 -4.318 -7.736 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -1.990 -7.490 -5.409 1.00 0.00 ZN