USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 145:sc= -0.414 (180deg=-2.51!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 170:sc= 0.0826 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -0.0742 (180deg=-0.527) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc=-0.00697 (180deg=-0.553) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -61:sc= 0.196 USER MOD Single : A 24 ASN : amide:sc= -2.09! C(o=-2.1!,f=-0.46!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 149:sc= -0.393 (180deg=-2.43!) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 170:sc= 0.0906 USER MOD Single : B 10 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -119:sc= -0.0632 (180deg=-0.528) USER MOD Single : B 15 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.529) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.201 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot -63:sc= 0.156 USER MOD Single : B 24 ASN : amide:sc= -1.95! C(o=-1.9!,f=-0.14!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -20.708 -5.500 -20.756 1.00 0.00 N ATOM 2 CA ARG A 1 -19.932 -6.600 -20.114 1.00 0.00 C ATOM 3 C ARG A 1 -20.504 -7.960 -20.522 1.00 0.00 C ATOM 4 O ARG A 1 -20.491 -8.905 -19.758 1.00 0.00 O ATOM 5 CB ARG A 1 -20.100 -6.377 -18.610 1.00 0.00 C ATOM 6 CG ARG A 1 -21.588 -6.249 -18.276 1.00 0.00 C ATOM 7 CD ARG A 1 -21.850 -4.891 -17.621 1.00 0.00 C ATOM 8 NE ARG A 1 -21.394 -5.050 -16.212 1.00 0.00 N ATOM 9 CZ ARG A 1 -22.240 -5.419 -15.290 1.00 0.00 C ATOM 10 NH1 ARG A 1 -22.427 -6.687 -15.045 1.00 0.00 N ATOM 11 NH2 ARG A 1 -22.902 -4.519 -14.614 1.00 0.00 N ATOM 0 H1 ARG A 1 -20.762 -4.689 -20.108 1.00 0.00 H new ATOM 0 H2 ARG A 1 -20.235 -5.209 -21.636 1.00 0.00 H new ATOM 0 H3 ARG A 1 -21.669 -5.834 -20.973 1.00 0.00 H new ATOM 0 HA ARG A 1 -18.884 -6.595 -20.413 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -19.663 -7.208 -18.057 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.569 -5.476 -18.304 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -22.185 -6.348 -19.183 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -21.891 -7.053 -17.605 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -21.301 -4.096 -18.126 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -22.907 -4.628 -17.667 1.00 0.00 H new ATOM 0 HE ARG A 1 -20.420 -4.870 -15.968 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -21.912 -7.390 -15.574 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -23.089 -6.975 -14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -22.758 -3.528 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -23.564 -4.807 -13.893 1.00 0.00 H new ATOM 27 N MET A 2 -21.008 -8.066 -21.722 1.00 0.00 N ATOM 28 CA MET A 2 -21.581 -9.365 -22.178 1.00 0.00 C ATOM 29 C MET A 2 -20.456 -10.350 -22.512 1.00 0.00 C ATOM 30 O MET A 2 -19.404 -9.969 -22.984 1.00 0.00 O ATOM 31 CB MET A 2 -22.387 -9.025 -23.431 1.00 0.00 C ATOM 32 CG MET A 2 -23.426 -10.118 -23.684 1.00 0.00 C ATOM 33 SD MET A 2 -24.974 -9.682 -22.855 1.00 0.00 S ATOM 34 CE MET A 2 -26.068 -9.916 -24.277 1.00 0.00 C ATOM 0 H MET A 2 -21.048 -7.310 -22.406 1.00 0.00 H new ATOM 0 HA MET A 2 -22.199 -9.836 -21.413 1.00 0.00 H new ATOM 0 HB2 MET A 2 -22.881 -8.061 -23.308 1.00 0.00 H new ATOM 0 HB3 MET A 2 -21.722 -8.935 -24.290 1.00 0.00 H new ATOM 0 HG2 MET A 2 -23.594 -10.234 -24.755 1.00 0.00 H new ATOM 0 HG3 MET A 2 -23.060 -11.076 -23.314 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.095 -9.697 -23.986 1.00 0.00 H new ATOM 0 HE2 MET A 2 -25.768 -9.245 -25.082 1.00 0.00 H new ATOM 0 HE3 MET A 2 -26.001 -10.948 -24.622 1.00 0.00 H new ATOM 44 N LYS A 3 -20.673 -11.615 -22.273 1.00 0.00 N ATOM 45 CA LYS A 3 -19.616 -12.622 -22.577 1.00 0.00 C ATOM 46 C LYS A 3 -20.162 -13.689 -23.530 1.00 0.00 C ATOM 47 O LYS A 3 -21.335 -14.005 -23.517 1.00 0.00 O ATOM 48 CB LYS A 3 -19.259 -13.241 -21.226 1.00 0.00 C ATOM 49 CG LYS A 3 -17.738 -13.270 -21.063 1.00 0.00 C ATOM 50 CD LYS A 3 -17.380 -13.188 -19.578 1.00 0.00 C ATOM 51 CE LYS A 3 -16.743 -11.829 -19.280 1.00 0.00 C ATOM 52 NZ LYS A 3 -17.024 -11.581 -17.839 1.00 0.00 N ATOM 0 H LYS A 3 -21.535 -11.994 -21.881 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.748 -12.177 -23.063 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.711 -12.664 -20.419 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.662 -14.252 -21.159 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.333 -14.185 -21.495 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.288 -12.437 -21.603 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.274 -13.323 -18.970 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.691 -13.990 -19.315 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.671 -11.844 -19.476 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.171 -11.046 -19.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.618 -10.666 -17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.052 -11.566 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.599 -12.338 -17.267 1.00 0.00 H new ATOM 66 N LYS A 4 -19.320 -14.248 -24.356 1.00 0.00 N ATOM 67 CA LYS A 4 -19.792 -15.294 -25.307 1.00 0.00 C ATOM 68 C LYS A 4 -18.627 -16.197 -25.721 1.00 0.00 C ATOM 69 O LYS A 4 -18.491 -16.565 -26.870 1.00 0.00 O ATOM 70 CB LYS A 4 -20.325 -14.520 -26.514 1.00 0.00 C ATOM 71 CG LYS A 4 -21.583 -15.208 -27.047 1.00 0.00 C ATOM 72 CD LYS A 4 -21.883 -14.701 -28.458 1.00 0.00 C ATOM 73 CE LYS A 4 -23.319 -14.174 -28.518 1.00 0.00 C ATOM 74 NZ LYS A 4 -23.438 -13.532 -29.856 1.00 0.00 N ATOM 0 H LYS A 4 -18.326 -14.026 -24.413 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.553 -15.939 -24.867 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.553 -13.493 -26.229 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.565 -14.473 -27.294 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -21.441 -16.289 -27.060 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -22.428 -15.005 -26.389 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.183 -13.910 -28.728 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.749 -15.506 -29.181 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -24.041 -14.982 -28.402 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -23.511 -13.458 -27.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -24.397 -13.146 -29.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.743 -12.762 -29.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.257 -14.239 -30.597 1.00 0.00 H new ATOM 88 N LYS A 5 -17.785 -16.558 -24.790 1.00 0.00 N ATOM 89 CA LYS A 5 -16.630 -17.439 -25.131 1.00 0.00 C ATOM 90 C LYS A 5 -16.022 -18.029 -23.856 1.00 0.00 C ATOM 91 O LYS A 5 -16.312 -17.594 -22.759 1.00 0.00 O ATOM 92 CB LYS A 5 -15.626 -16.521 -25.829 1.00 0.00 C ATOM 93 CG LYS A 5 -15.959 -16.439 -27.320 1.00 0.00 C ATOM 94 CD LYS A 5 -14.663 -16.428 -28.133 1.00 0.00 C ATOM 95 CE LYS A 5 -14.785 -15.416 -29.275 1.00 0.00 C ATOM 96 NZ LYS A 5 -14.880 -16.243 -30.511 1.00 0.00 N ATOM 0 H LYS A 5 -17.846 -16.282 -23.810 1.00 0.00 H new ATOM 0 HA LYS A 5 -16.922 -18.279 -25.762 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.656 -15.527 -25.384 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.614 -16.901 -25.692 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.577 -17.288 -27.613 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.537 -15.538 -27.525 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.821 -16.168 -27.491 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.464 -17.422 -28.534 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.666 -14.786 -29.152 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.921 -14.752 -29.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.966 -15.620 -31.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.025 -16.827 -30.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.715 -16.860 -30.453 1.00 0.00 H new ATOM 110 N ASP A 6 -15.182 -19.019 -23.993 1.00 0.00 N ATOM 111 CA ASP A 6 -14.557 -19.637 -22.788 1.00 0.00 C ATOM 112 C ASP A 6 -13.257 -18.908 -22.435 1.00 0.00 C ATOM 113 O ASP A 6 -12.818 -18.023 -23.141 1.00 0.00 O ATOM 114 CB ASP A 6 -14.269 -21.084 -23.189 1.00 0.00 C ATOM 115 CG ASP A 6 -15.578 -21.876 -23.222 1.00 0.00 C ATOM 116 OD1 ASP A 6 -16.361 -21.725 -22.298 1.00 0.00 O ATOM 117 OD2 ASP A 6 -15.775 -22.618 -24.169 1.00 0.00 O ATOM 0 H ASP A 6 -14.902 -19.426 -24.885 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.202 -19.578 -21.911 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.790 -21.113 -24.168 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.575 -21.537 -22.481 1.00 0.00 H new ATOM 122 N GLU A 7 -12.638 -19.275 -21.346 1.00 0.00 N ATOM 123 CA GLU A 7 -11.367 -18.604 -20.949 1.00 0.00 C ATOM 124 C GLU A 7 -10.559 -19.509 -20.016 1.00 0.00 C ATOM 125 O GLU A 7 -11.029 -19.923 -18.975 1.00 0.00 O ATOM 126 CB GLU A 7 -11.803 -17.333 -20.218 1.00 0.00 C ATOM 127 CG GLU A 7 -12.426 -16.357 -21.218 1.00 0.00 C ATOM 128 CD GLU A 7 -12.630 -14.998 -20.545 1.00 0.00 C ATOM 129 OE1 GLU A 7 -11.980 -14.752 -19.543 1.00 0.00 O ATOM 130 OE2 GLU A 7 -13.432 -14.227 -21.044 1.00 0.00 O ATOM 0 H GLU A 7 -12.957 -20.010 -20.714 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.731 -18.384 -21.806 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.523 -17.579 -19.437 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.946 -16.871 -19.728 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.779 -16.250 -22.089 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.380 -16.745 -21.575 1.00 0.00 H new ATOM 137 N GLY A 8 -9.345 -19.821 -20.381 1.00 0.00 N ATOM 138 CA GLY A 8 -8.509 -20.699 -19.515 1.00 0.00 C ATOM 139 C GLY A 8 -7.805 -19.852 -18.455 1.00 0.00 C ATOM 140 O GLY A 8 -8.350 -19.577 -17.404 1.00 0.00 O ATOM 0 H GLY A 8 -8.897 -19.506 -21.241 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.132 -21.455 -19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.773 -21.229 -20.120 1.00 0.00 H new ATOM 144 N SER A 9 -6.597 -19.437 -18.719 1.00 0.00 N ATOM 145 CA SER A 9 -5.859 -18.610 -17.726 1.00 0.00 C ATOM 146 C SER A 9 -6.491 -17.220 -17.618 1.00 0.00 C ATOM 147 O SER A 9 -7.695 -17.070 -17.669 1.00 0.00 O ATOM 148 CB SER A 9 -4.436 -18.512 -18.274 1.00 0.00 C ATOM 149 OG SER A 9 -4.105 -19.721 -18.943 1.00 0.00 O ATOM 0 H SER A 9 -6.089 -19.636 -19.581 1.00 0.00 H new ATOM 0 HA SER A 9 -5.883 -19.045 -16.727 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.356 -17.669 -18.961 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.733 -18.329 -17.461 1.00 0.00 H new ATOM 0 HG SER A 9 -3.263 -19.605 -19.431 1.00 0.00 H new ATOM 155 N TYR A 10 -5.688 -16.202 -17.470 1.00 0.00 N ATOM 156 CA TYR A 10 -6.244 -14.823 -17.359 1.00 0.00 C ATOM 157 C TYR A 10 -5.479 -13.868 -18.280 1.00 0.00 C ATOM 158 O TYR A 10 -4.277 -13.966 -18.431 1.00 0.00 O ATOM 159 CB TYR A 10 -6.044 -14.432 -15.895 1.00 0.00 C ATOM 160 CG TYR A 10 -6.665 -15.480 -15.004 1.00 0.00 C ATOM 161 CD1 TYR A 10 -6.065 -16.740 -14.881 1.00 0.00 C ATOM 162 CD2 TYR A 10 -7.840 -15.194 -14.299 1.00 0.00 C ATOM 163 CE1 TYR A 10 -6.641 -17.712 -14.055 1.00 0.00 C ATOM 164 CE2 TYR A 10 -8.416 -16.167 -13.473 1.00 0.00 C ATOM 165 CZ TYR A 10 -7.816 -17.426 -13.351 1.00 0.00 C ATOM 166 OH TYR A 10 -8.384 -18.385 -12.536 1.00 0.00 O ATOM 0 H TYR A 10 -4.671 -16.265 -17.421 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.292 -14.775 -17.654 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.981 -14.336 -15.675 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.498 -13.460 -15.702 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.158 -16.961 -15.424 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.302 -14.222 -14.392 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.178 -18.683 -13.961 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.323 -15.946 -12.930 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.194 -18.023 -12.120 1.00 0.00 H new ATOM 176 N ASP A 11 -6.167 -12.946 -18.896 1.00 0.00 N ATOM 177 CA ASP A 11 -5.481 -11.989 -19.806 1.00 0.00 C ATOM 178 C ASP A 11 -4.600 -11.029 -19.000 1.00 0.00 C ATOM 179 O ASP A 11 -4.691 -10.956 -17.791 1.00 0.00 O ATOM 180 CB ASP A 11 -6.608 -11.226 -20.502 1.00 0.00 C ATOM 181 CG ASP A 11 -6.056 -10.516 -21.739 1.00 0.00 C ATOM 182 OD1 ASP A 11 -4.855 -10.575 -21.946 1.00 0.00 O ATOM 183 OD2 ASP A 11 -6.845 -9.925 -22.459 1.00 0.00 O ATOM 0 H ASP A 11 -7.175 -12.815 -18.808 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.829 -12.494 -20.519 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.404 -11.913 -20.789 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.046 -10.499 -19.818 1.00 0.00 H new ATOM 188 N LEU A 12 -3.751 -10.291 -19.663 1.00 0.00 N ATOM 189 CA LEU A 12 -2.868 -9.335 -18.939 1.00 0.00 C ATOM 190 C LEU A 12 -1.946 -8.615 -19.926 1.00 0.00 C ATOM 191 O LEU A 12 -1.625 -9.129 -20.979 1.00 0.00 O ATOM 192 CB LEU A 12 -2.051 -10.198 -17.974 1.00 0.00 C ATOM 193 CG LEU A 12 -1.375 -11.331 -18.749 1.00 0.00 C ATOM 194 CD1 LEU A 12 0.028 -10.895 -19.173 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.274 -12.569 -17.853 1.00 0.00 C ATOM 0 H LEU A 12 -3.631 -10.310 -20.676 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.436 -8.566 -18.415 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.300 -9.589 -17.471 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.699 -10.609 -17.200 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.964 -11.567 -19.635 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.509 -11.703 -19.725 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.042 -10.012 -19.809 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.619 -10.659 -18.288 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.793 -13.378 -18.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.684 -12.330 -16.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.273 -12.881 -17.550 1.00 0.00 H new ATOM 207 N GLY A 13 -1.517 -7.429 -19.592 1.00 0.00 N ATOM 208 CA GLY A 13 -0.616 -6.677 -20.511 1.00 0.00 C ATOM 209 C GLY A 13 0.741 -6.466 -19.837 1.00 0.00 C ATOM 210 O GLY A 13 1.748 -6.990 -20.269 1.00 0.00 O ATOM 0 H GLY A 13 -1.751 -6.948 -18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.489 -7.227 -21.443 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.060 -5.715 -20.766 1.00 0.00 H new ATOM 214 N LYS A 14 0.775 -5.706 -18.776 1.00 0.00 N ATOM 215 CA LYS A 14 2.062 -5.466 -18.071 1.00 0.00 C ATOM 216 C LYS A 14 1.811 -4.754 -16.739 1.00 0.00 C ATOM 217 O LYS A 14 1.527 -5.379 -15.735 1.00 0.00 O ATOM 218 CB LYS A 14 2.877 -4.584 -19.019 1.00 0.00 C ATOM 219 CG LYS A 14 3.782 -5.463 -19.884 1.00 0.00 C ATOM 220 CD LYS A 14 5.103 -4.736 -20.145 1.00 0.00 C ATOM 221 CE LYS A 14 5.520 -4.940 -21.603 1.00 0.00 C ATOM 222 NZ LYS A 14 4.569 -4.112 -22.394 1.00 0.00 N ATOM 0 H LYS A 14 -0.036 -5.241 -18.368 1.00 0.00 H new ATOM 0 HA LYS A 14 2.585 -6.393 -17.835 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.210 -3.998 -19.651 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.478 -3.876 -18.448 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.970 -6.413 -19.383 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.289 -5.693 -20.828 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.993 -3.673 -19.933 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.877 -5.116 -19.478 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.550 -4.624 -21.767 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.460 -5.990 -21.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.056 -3.724 -23.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.770 -4.701 -22.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.216 -3.331 -21.805 1.00 0.00 H new ATOM 236 N LYS A 15 1.912 -3.456 -16.719 1.00 0.00 N ATOM 237 CA LYS A 15 1.677 -2.707 -15.450 1.00 0.00 C ATOM 238 C LYS A 15 1.333 -1.247 -15.754 1.00 0.00 C ATOM 239 O LYS A 15 1.855 -0.669 -16.685 1.00 0.00 O ATOM 240 CB LYS A 15 2.998 -2.799 -14.685 1.00 0.00 C ATOM 241 CG LYS A 15 3.169 -4.215 -14.130 1.00 0.00 C ATOM 242 CD LYS A 15 4.266 -4.217 -13.063 1.00 0.00 C ATOM 243 CE LYS A 15 5.454 -5.046 -13.553 1.00 0.00 C ATOM 244 NZ LYS A 15 5.964 -4.319 -14.748 1.00 0.00 N ATOM 0 H LYS A 15 2.147 -2.879 -17.526 1.00 0.00 H new ATOM 0 HA LYS A 15 0.845 -3.116 -14.877 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.830 -2.552 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.010 -2.074 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.230 -4.565 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.428 -4.903 -14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.584 -3.196 -12.852 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.881 -4.630 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.222 -5.129 -12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.149 -6.061 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.985 -4.490 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.470 -4.659 -15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.793 -3.300 -14.633 1.00 0.00 H new ATOM 258 N PRO A 16 0.460 -0.702 -14.951 1.00 0.00 N ATOM 259 CA PRO A 16 0.030 0.708 -15.128 1.00 0.00 C ATOM 260 C PRO A 16 1.170 1.665 -14.775 1.00 0.00 C ATOM 261 O PRO A 16 1.552 1.805 -13.630 1.00 0.00 O ATOM 262 CB PRO A 16 -1.134 0.852 -14.151 1.00 0.00 C ATOM 263 CG PRO A 16 -0.897 -0.198 -13.114 1.00 0.00 C ATOM 264 CD PRO A 16 -0.200 -1.339 -13.806 1.00 0.00 C ATOM 0 HA PRO A 16 -0.252 0.946 -16.154 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.157 1.847 -13.707 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.091 0.704 -14.652 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.286 0.193 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.839 -0.528 -12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.521 -1.826 -13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.907 -2.104 -14.126 1.00 0.00 H new ATOM 272 N ILE A 17 1.711 2.326 -15.760 1.00 0.00 N ATOM 273 CA ILE A 17 2.825 3.282 -15.503 1.00 0.00 C ATOM 274 C ILE A 17 2.318 4.720 -15.647 1.00 0.00 C ATOM 275 O ILE A 17 1.307 4.970 -16.271 1.00 0.00 O ATOM 276 CB ILE A 17 3.897 2.976 -16.560 1.00 0.00 C ATOM 277 CG1 ILE A 17 3.243 2.586 -17.891 1.00 0.00 C ATOM 278 CG2 ILE A 17 4.775 1.821 -16.073 1.00 0.00 C ATOM 279 CD1 ILE A 17 4.194 2.903 -19.045 1.00 0.00 C ATOM 0 H ILE A 17 1.428 2.245 -16.737 1.00 0.00 H new ATOM 0 HA ILE A 17 3.227 3.178 -14.495 1.00 0.00 H new ATOM 0 HB ILE A 17 4.504 3.869 -16.712 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.999 1.524 -17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.306 3.128 -18.020 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.536 1.602 -16.822 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.257 2.100 -15.136 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.158 0.937 -15.914 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.726 2.625 -19.989 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.416 3.970 -19.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.119 2.341 -18.919 1.00 0.00 H new ATOM 291 N TYR A 18 3.005 5.668 -15.071 1.00 0.00 N ATOM 292 CA TYR A 18 2.547 7.082 -15.177 1.00 0.00 C ATOM 293 C TYR A 18 3.666 7.970 -15.727 1.00 0.00 C ATOM 294 O TYR A 18 4.552 8.388 -15.008 1.00 0.00 O ATOM 295 CB TYR A 18 2.193 7.491 -13.746 1.00 0.00 C ATOM 296 CG TYR A 18 0.826 8.134 -13.726 1.00 0.00 C ATOM 297 CD1 TYR A 18 -0.212 7.602 -14.502 1.00 0.00 C ATOM 298 CD2 TYR A 18 0.597 9.263 -12.930 1.00 0.00 C ATOM 299 CE1 TYR A 18 -1.478 8.199 -14.481 1.00 0.00 C ATOM 300 CE2 TYR A 18 -0.669 9.859 -12.910 1.00 0.00 C ATOM 301 CZ TYR A 18 -1.707 9.327 -13.685 1.00 0.00 C ATOM 302 OH TYR A 18 -2.955 9.916 -13.665 1.00 0.00 O ATOM 0 H TYR A 18 3.860 5.526 -14.534 1.00 0.00 H new ATOM 0 HA TYR A 18 1.701 7.188 -15.856 1.00 0.00 H new ATOM 0 HB2 TYR A 18 2.205 6.618 -13.094 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.939 8.186 -13.361 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.036 6.731 -15.116 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.397 9.674 -12.332 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.278 7.789 -15.079 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.846 10.730 -12.296 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.943 10.687 -13.060 1.00 0.00 H new ATOM 312 N LYS A 19 3.628 8.264 -16.997 1.00 0.00 N ATOM 313 CA LYS A 19 4.684 9.128 -17.596 1.00 0.00 C ATOM 314 C LYS A 19 4.132 9.851 -18.827 1.00 0.00 C ATOM 315 O LYS A 19 3.477 9.261 -19.665 1.00 0.00 O ATOM 316 CB LYS A 19 5.806 8.167 -17.994 1.00 0.00 C ATOM 317 CG LYS A 19 6.879 8.928 -18.776 1.00 0.00 C ATOM 318 CD LYS A 19 7.952 9.436 -17.811 1.00 0.00 C ATOM 319 CE LYS A 19 9.282 8.744 -18.115 1.00 0.00 C ATOM 320 NZ LYS A 19 9.347 7.601 -17.163 1.00 0.00 N ATOM 0 H LYS A 19 2.910 7.943 -17.647 1.00 0.00 H new ATOM 0 HA LYS A 19 5.034 9.895 -16.905 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.243 7.713 -17.104 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.405 7.356 -18.602 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.328 8.276 -19.525 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.429 9.765 -19.310 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.062 10.516 -17.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.654 9.237 -16.782 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.321 8.400 -19.148 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.122 9.424 -17.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.233 7.077 -17.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.315 7.960 -16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.539 6.967 -17.326 1.00 0.00 H new ATOM 334 N LYS A 20 4.391 11.125 -18.946 1.00 0.00 N ATOM 335 CA LYS A 20 3.881 11.882 -20.121 1.00 0.00 C ATOM 336 C LYS A 20 4.161 13.378 -19.949 1.00 0.00 C ATOM 337 O LYS A 20 3.267 14.198 -20.013 1.00 0.00 O ATOM 338 CB LYS A 20 2.375 11.616 -20.144 1.00 0.00 C ATOM 339 CG LYS A 20 1.985 10.998 -21.487 1.00 0.00 C ATOM 340 CD LYS A 20 0.725 11.684 -22.019 1.00 0.00 C ATOM 341 CE LYS A 20 1.077 12.509 -23.259 1.00 0.00 C ATOM 342 NZ LYS A 20 -0.158 13.281 -23.569 1.00 0.00 N ATOM 0 H LYS A 20 4.934 11.673 -18.279 1.00 0.00 H new ATOM 0 HA LYS A 20 4.362 11.574 -21.050 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.101 10.945 -19.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.829 12.546 -19.988 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.801 11.109 -22.201 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.808 9.929 -21.369 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.030 10.938 -22.268 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.297 12.328 -21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.920 13.173 -23.066 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.361 11.867 -24.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.004 13.873 -24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.941 12.623 -23.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.400 13.888 -22.760 1.00 0.00 H new ATOM 356 N ALA A 21 5.396 13.738 -19.731 1.00 0.00 N ATOM 357 CA ALA A 21 5.734 15.180 -19.555 1.00 0.00 C ATOM 358 C ALA A 21 7.248 15.382 -19.646 1.00 0.00 C ATOM 359 O ALA A 21 8.013 14.475 -19.388 1.00 0.00 O ATOM 360 CB ALA A 21 5.227 15.536 -18.158 1.00 0.00 C ATOM 0 H ALA A 21 6.186 13.096 -19.667 1.00 0.00 H new ATOM 0 HA ALA A 21 5.284 15.808 -20.324 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.438 16.585 -17.951 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.152 15.365 -18.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.729 14.912 -17.419 1.00 0.00 H new ATOM 366 N PRO A 22 7.628 16.576 -20.011 1.00 0.00 N ATOM 367 CA PRO A 22 9.067 16.914 -20.140 1.00 0.00 C ATOM 368 C PRO A 22 9.713 17.039 -18.757 1.00 0.00 C ATOM 369 O PRO A 22 9.824 18.119 -18.210 1.00 0.00 O ATOM 370 CB PRO A 22 9.056 18.259 -20.860 1.00 0.00 C ATOM 371 CG PRO A 22 7.722 18.857 -20.542 1.00 0.00 C ATOM 372 CD PRO A 22 6.761 17.715 -20.335 1.00 0.00 C ATOM 0 HA PRO A 22 9.640 16.156 -20.674 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.868 18.899 -20.514 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.186 18.132 -21.935 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.781 19.477 -19.647 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.385 19.501 -21.354 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.059 17.925 -19.528 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.169 17.524 -21.230 1.00 0.00 H new ATOM 380 N THR A 23 10.138 15.944 -18.189 1.00 0.00 N ATOM 381 CA THR A 23 10.775 15.998 -16.843 1.00 0.00 C ATOM 382 C THR A 23 11.731 17.192 -16.756 1.00 0.00 C ATOM 383 O THR A 23 12.657 17.315 -17.532 1.00 0.00 O ATOM 384 CB THR A 23 11.545 14.684 -16.715 1.00 0.00 C ATOM 385 OG1 THR A 23 11.012 13.734 -17.628 1.00 0.00 O ATOM 386 CG2 THR A 23 11.418 14.151 -15.287 1.00 0.00 C ATOM 0 H THR A 23 10.071 15.013 -18.600 1.00 0.00 H new ATOM 0 HA THR A 23 10.042 16.120 -16.045 1.00 0.00 H new ATOM 0 HB THR A 23 12.597 14.856 -16.942 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.071 13.567 -17.413 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.968 13.214 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.828 14.880 -14.589 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.367 13.978 -15.055 1.00 0.00 H new ATOM 394 N ASN A 24 11.512 18.071 -15.817 1.00 0.00 N ATOM 395 CA ASN A 24 12.408 19.256 -15.682 1.00 0.00 C ATOM 396 C ASN A 24 11.850 20.226 -14.638 1.00 0.00 C ATOM 397 O ASN A 24 11.869 21.427 -14.819 1.00 0.00 O ATOM 398 CB ASN A 24 12.419 19.905 -17.066 1.00 0.00 C ATOM 399 CG ASN A 24 13.836 19.859 -17.641 1.00 0.00 C ATOM 400 OD1 ASN A 24 14.206 18.908 -18.300 1.00 0.00 O ATOM 401 ND2 ASN A 24 14.650 20.855 -17.419 1.00 0.00 N ATOM 0 H ASN A 24 10.753 18.021 -15.138 1.00 0.00 H new ATOM 0 HA ASN A 24 13.410 18.980 -15.354 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.729 19.383 -17.729 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.076 20.937 -16.998 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.596 20.835 -17.799 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.340 21.654 -16.866 1.00 0.00 H new ATOM 408 N GLU A 25 11.350 19.715 -13.545 1.00 0.00 N ATOM 409 CA GLU A 25 10.791 20.608 -12.491 1.00 0.00 C ATOM 410 C GLU A 25 11.898 21.053 -11.532 1.00 0.00 C ATOM 411 O GLU A 25 13.063 21.066 -11.878 1.00 0.00 O ATOM 412 CB GLU A 25 9.756 19.755 -11.757 1.00 0.00 C ATOM 413 CG GLU A 25 8.646 20.655 -11.211 1.00 0.00 C ATOM 414 CD GLU A 25 8.485 20.415 -9.709 1.00 0.00 C ATOM 415 OE1 GLU A 25 8.364 19.264 -9.324 1.00 0.00 O ATOM 416 OE2 GLU A 25 8.485 21.385 -8.970 1.00 0.00 O ATOM 0 H GLU A 25 11.305 18.717 -13.337 1.00 0.00 H new ATOM 0 HA GLU A 25 10.351 21.514 -12.908 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.336 19.012 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.231 19.210 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.887 21.701 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.708 20.446 -11.726 1.00 0.00 H new ATOM 423 N PHE A 26 11.544 21.419 -10.331 1.00 0.00 N ATOM 424 CA PHE A 26 12.577 21.863 -9.352 1.00 0.00 C ATOM 425 C PHE A 26 12.184 21.432 -7.936 1.00 0.00 C ATOM 426 O PHE A 26 11.024 21.226 -7.639 1.00 0.00 O ATOM 427 CB PHE A 26 12.596 23.388 -9.461 1.00 0.00 C ATOM 428 CG PHE A 26 13.348 23.968 -8.286 1.00 0.00 C ATOM 429 CD1 PHE A 26 14.742 24.080 -8.334 1.00 0.00 C ATOM 430 CD2 PHE A 26 12.649 24.393 -7.150 1.00 0.00 C ATOM 431 CE1 PHE A 26 15.439 24.618 -7.245 1.00 0.00 C ATOM 432 CE2 PHE A 26 13.346 24.931 -6.061 1.00 0.00 C ATOM 433 CZ PHE A 26 14.740 25.043 -6.109 1.00 0.00 C ATOM 0 H PHE A 26 10.585 21.430 -9.985 1.00 0.00 H new ATOM 0 HA PHE A 26 13.555 21.427 -9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.070 23.691 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.577 23.775 -9.481 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.280 23.752 -9.211 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.573 24.306 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.515 24.705 -7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.808 25.259 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.277 25.458 -5.269 1.00 0.00 H new ATOM 443 N TYR A 27 13.142 21.292 -7.061 1.00 0.00 N ATOM 444 CA TYR A 27 12.823 20.874 -5.667 1.00 0.00 C ATOM 445 C TYR A 27 14.056 21.025 -4.772 1.00 0.00 C ATOM 446 O TYR A 27 15.178 20.884 -5.218 1.00 0.00 O ATOM 447 CB TYR A 27 12.418 19.404 -5.776 1.00 0.00 C ATOM 448 CG TYR A 27 13.457 18.654 -6.576 1.00 0.00 C ATOM 449 CD1 TYR A 27 13.382 18.630 -7.974 1.00 0.00 C ATOM 450 CD2 TYR A 27 14.494 17.981 -5.919 1.00 0.00 C ATOM 451 CE1 TYR A 27 14.345 17.936 -8.715 1.00 0.00 C ATOM 452 CE2 TYR A 27 15.457 17.286 -6.661 1.00 0.00 C ATOM 453 CZ TYR A 27 15.382 17.263 -8.058 1.00 0.00 C ATOM 454 OH TYR A 27 16.332 16.578 -8.789 1.00 0.00 O ATOM 0 H TYR A 27 14.132 21.449 -7.251 1.00 0.00 H new ATOM 0 HA TYR A 27 12.034 21.483 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.324 18.967 -4.782 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.443 19.319 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.581 19.147 -8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.551 17.998 -4.841 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.288 17.920 -9.793 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.258 16.768 -6.155 1.00 0.00 H new ATOM 0 HH TYR A 27 16.981 16.168 -8.180 1.00 0.00 H new ATOM 464 N ALA A 28 13.859 21.312 -3.515 1.00 0.00 N ATOM 465 CA ALA A 28 15.021 21.471 -2.594 1.00 0.00 C ATOM 466 C ALA A 28 15.256 20.178 -1.809 1.00 0.00 C ATOM 467 O ALA A 28 16.358 19.998 -1.319 1.00 0.00 O ATOM 468 CB ALA A 28 14.625 22.607 -1.650 1.00 0.00 C ATOM 469 OXT ALA A 28 14.330 19.390 -1.712 1.00 0.00 O ATOM 0 H ALA A 28 12.943 21.443 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 28 15.945 21.689 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 28 15.431 22.786 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.443 23.513 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.719 22.332 -1.110 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 16.872 -13.350 -12.286 1.00 0.00 N ATOM 477 CA ARG B 1 15.685 -14.087 -12.811 1.00 0.00 C ATOM 478 C ARG B 1 15.638 -15.500 -12.225 1.00 0.00 C ATOM 479 O ARG B 1 15.205 -16.435 -12.869 1.00 0.00 O ATOM 480 CB ARG B 1 15.890 -14.140 -14.325 1.00 0.00 C ATOM 481 CG ARG B 1 17.282 -14.696 -14.633 1.00 0.00 C ATOM 482 CD ARG B 1 18.077 -13.668 -15.440 1.00 0.00 C ATOM 483 NE ARG B 1 17.558 -13.788 -16.832 1.00 0.00 N ATOM 484 CZ ARG B 1 18.143 -14.589 -17.679 1.00 0.00 C ATOM 485 NH1 ARG B 1 17.767 -15.836 -17.764 1.00 0.00 N ATOM 486 NH2 ARG B 1 19.103 -14.144 -18.442 1.00 0.00 N ATOM 0 H1 ARG B 1 17.206 -12.674 -13.003 1.00 0.00 H new ATOM 0 H2 ARG B 1 16.607 -12.836 -11.422 1.00 0.00 H new ATOM 0 H3 ARG B 1 17.631 -14.026 -12.067 1.00 0.00 H new ATOM 0 HA ARG B 1 14.746 -13.602 -12.544 1.00 0.00 H new ATOM 0 HB2 ARG B 1 15.126 -14.768 -14.784 1.00 0.00 H new ATOM 0 HB3 ARG B 1 15.782 -13.143 -14.752 1.00 0.00 H new ATOM 0 HG2 ARG B 1 17.805 -14.929 -13.706 1.00 0.00 H new ATOM 0 HG3 ARG B 1 17.197 -15.627 -15.194 1.00 0.00 H new ATOM 0 HD2 ARG B 1 17.931 -12.661 -15.050 1.00 0.00 H new ATOM 0 HD3 ARG B 1 19.146 -13.874 -15.398 1.00 0.00 H new ATOM 0 HE ARG B 1 16.746 -13.244 -17.122 1.00 0.00 H new ATOM 0 HH11 ARG B 1 17.016 -16.184 -17.168 1.00 0.00 H new ATOM 0 HH12 ARG B 1 18.224 -16.463 -18.426 1.00 0.00 H new ATOM 0 HH21 ARG B 1 19.396 -13.169 -18.376 1.00 0.00 H new ATOM 0 HH22 ARG B 1 19.560 -14.771 -19.104 1.00 0.00 H new ATOM 502 N MET B 2 16.081 -15.664 -11.008 1.00 0.00 N ATOM 503 CA MET B 2 16.061 -17.018 -10.383 1.00 0.00 C ATOM 504 C MET B 2 14.636 -17.385 -9.963 1.00 0.00 C ATOM 505 O MET B 2 13.858 -16.540 -9.569 1.00 0.00 O ATOM 506 CB MET B 2 16.971 -16.902 -9.160 1.00 0.00 C ATOM 507 CG MET B 2 17.455 -18.293 -8.749 1.00 0.00 C ATOM 508 SD MET B 2 19.019 -18.657 -9.583 1.00 0.00 S ATOM 509 CE MET B 2 19.948 -19.159 -8.114 1.00 0.00 C ATOM 0 H MET B 2 16.456 -14.920 -10.420 1.00 0.00 H new ATOM 0 HA MET B 2 16.398 -17.796 -11.068 1.00 0.00 H new ATOM 0 HB2 MET B 2 17.823 -16.262 -9.387 1.00 0.00 H new ATOM 0 HB3 MET B 2 16.432 -16.435 -8.336 1.00 0.00 H new ATOM 0 HG2 MET B 2 17.587 -18.339 -7.668 1.00 0.00 H new ATOM 0 HG3 MET B 2 16.708 -19.042 -9.011 1.00 0.00 H new ATOM 0 HE1 MET B 2 20.963 -19.432 -8.401 1.00 0.00 H new ATOM 0 HE2 MET B 2 19.982 -18.332 -7.405 1.00 0.00 H new ATOM 0 HE3 MET B 2 19.459 -20.016 -7.650 1.00 0.00 H new ATOM 519 N LYS B 3 14.290 -18.641 -10.041 1.00 0.00 N ATOM 520 CA LYS B 3 12.914 -19.060 -9.645 1.00 0.00 C ATOM 521 C LYS B 3 12.983 -20.135 -8.556 1.00 0.00 C ATOM 522 O LYS B 3 13.911 -20.917 -8.499 1.00 0.00 O ATOM 523 CB LYS B 3 12.291 -19.628 -10.920 1.00 0.00 C ATOM 524 CG LYS B 3 10.898 -19.030 -11.118 1.00 0.00 C ATOM 525 CD LYS B 3 10.568 -18.984 -12.611 1.00 0.00 C ATOM 526 CE LYS B 3 10.558 -17.530 -13.089 1.00 0.00 C ATOM 527 NZ LYS B 3 10.879 -17.601 -14.542 1.00 0.00 N ATOM 0 H LYS B 3 14.899 -19.394 -10.361 1.00 0.00 H new ATOM 0 HA LYS B 3 12.330 -18.234 -9.240 1.00 0.00 H new ATOM 0 HB2 LYS B 3 12.922 -19.399 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS B 3 12.226 -20.714 -10.853 1.00 0.00 H new ATOM 0 HG2 LYS B 3 10.156 -19.628 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS B 3 10.858 -18.026 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS B 3 11.304 -19.558 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS B 3 9.597 -19.444 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS B 3 9.586 -17.066 -12.922 1.00 0.00 H new ATOM 0 HE3 LYS B 3 11.294 -16.932 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.891 -16.641 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 11.813 -18.041 -14.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 10.158 -18.170 -15.029 1.00 0.00 H new ATOM 541 N LYS B 4 12.006 -20.179 -7.691 1.00 0.00 N ATOM 542 CA LYS B 4 12.016 -21.202 -6.607 1.00 0.00 C ATOM 543 C LYS B 4 10.590 -21.471 -6.119 1.00 0.00 C ATOM 544 O LYS B 4 10.342 -21.603 -4.937 1.00 0.00 O ATOM 545 CB LYS B 4 12.859 -20.588 -5.490 1.00 0.00 C ATOM 546 CG LYS B 4 13.722 -21.675 -4.843 1.00 0.00 C ATOM 547 CD LYS B 4 14.247 -21.175 -3.496 1.00 0.00 C ATOM 548 CE LYS B 4 15.771 -21.304 -3.463 1.00 0.00 C ATOM 549 NZ LYS B 4 16.188 -20.615 -2.210 1.00 0.00 N ATOM 0 H LYS B 4 11.202 -19.551 -7.688 1.00 0.00 H new ATOM 0 HA LYS B 4 12.420 -22.156 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS B 4 13.493 -19.797 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS B 4 12.212 -20.130 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS B 4 13.136 -22.584 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS B 4 14.555 -21.931 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS B 4 13.956 -20.136 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS B 4 13.805 -21.752 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS B 4 16.079 -22.350 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS B 4 16.226 -20.841 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.223 -20.661 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 15.887 -19.620 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 15.745 -21.082 -1.393 1.00 0.00 H new ATOM 563 N LYS B 5 9.649 -21.550 -7.020 1.00 0.00 N ATOM 564 CA LYS B 5 8.241 -21.810 -6.607 1.00 0.00 C ATOM 565 C LYS B 5 7.404 -22.237 -7.816 1.00 0.00 C ATOM 566 O LYS B 5 7.820 -22.101 -8.949 1.00 0.00 O ATOM 567 CB LYS B 5 7.738 -20.476 -6.052 1.00 0.00 C ATOM 568 CG LYS B 5 8.116 -20.362 -4.574 1.00 0.00 C ATOM 569 CD LYS B 5 6.969 -19.705 -3.803 1.00 0.00 C ATOM 570 CE LYS B 5 7.539 -18.711 -2.789 1.00 0.00 C ATOM 571 NZ LYS B 5 7.310 -19.342 -1.461 1.00 0.00 N ATOM 0 H LYS B 5 9.795 -21.446 -8.024 1.00 0.00 H new ATOM 0 HA LYS B 5 8.168 -22.612 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS B 5 8.173 -19.649 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.656 -20.407 -6.168 1.00 0.00 H new ATOM 0 HG2 LYS B 5 8.325 -21.350 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS B 5 9.026 -19.772 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.299 -19.193 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS B 5 6.379 -20.465 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.600 -18.533 -2.964 1.00 0.00 H new ATOM 0 HE3 LYS B 5 7.038 -17.745 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 7.675 -18.719 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 6.291 -19.493 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 7.804 -20.256 -1.421 1.00 0.00 H new ATOM 585 N ASP B 6 6.229 -22.753 -7.584 1.00 0.00 N ATOM 586 CA ASP B 6 5.366 -23.188 -8.720 1.00 0.00 C ATOM 587 C ASP B 6 4.489 -22.026 -9.194 1.00 0.00 C ATOM 588 O ASP B 6 4.487 -20.960 -8.611 1.00 0.00 O ATOM 589 CB ASP B 6 4.504 -24.316 -8.155 1.00 0.00 C ATOM 590 CG ASP B 6 5.355 -25.577 -7.991 1.00 0.00 C ATOM 591 OD1 ASP B 6 6.103 -25.885 -8.905 1.00 0.00 O ATOM 592 OD2 ASP B 6 5.245 -26.212 -6.956 1.00 0.00 O ATOM 0 H ASP B 6 5.828 -22.893 -6.657 1.00 0.00 H new ATOM 0 HA ASP B 6 5.950 -23.515 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP B 6 4.084 -24.020 -7.193 1.00 0.00 H new ATOM 0 HB3 ASP B 6 3.665 -24.515 -8.821 1.00 0.00 H new ATOM 597 N GLU B 7 3.743 -22.225 -10.247 1.00 0.00 N ATOM 598 CA GLU B 7 2.867 -21.132 -10.756 1.00 0.00 C ATOM 599 C GLU B 7 1.725 -21.715 -11.593 1.00 0.00 C ATOM 600 O GLU B 7 1.948 -22.412 -12.564 1.00 0.00 O ATOM 601 CB GLU B 7 3.779 -20.264 -11.624 1.00 0.00 C ATOM 602 CG GLU B 7 4.785 -19.531 -10.733 1.00 0.00 C ATOM 603 CD GLU B 7 5.527 -18.479 -11.560 1.00 0.00 C ATOM 604 OE1 GLU B 7 5.015 -18.104 -12.602 1.00 0.00 O ATOM 605 OE2 GLU B 7 6.594 -18.066 -11.137 1.00 0.00 O ATOM 0 H GLU B 7 3.703 -23.096 -10.776 1.00 0.00 H new ATOM 0 HA GLU B 7 2.409 -20.561 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU B 7 4.305 -20.883 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU B 7 3.185 -19.545 -12.188 1.00 0.00 H new ATOM 0 HG2 GLU B 7 4.269 -19.056 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU B 7 5.494 -20.241 -10.307 1.00 0.00 H new ATOM 612 N GLY B 8 0.505 -21.436 -11.225 1.00 0.00 N ATOM 613 CA GLY B 8 -0.649 -21.976 -12.000 1.00 0.00 C ATOM 614 C GLY B 8 -0.956 -21.045 -13.175 1.00 0.00 C ATOM 615 O GLY B 8 -0.375 -21.156 -14.236 1.00 0.00 O ATOM 0 H GLY B 8 0.257 -20.858 -10.422 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.419 -22.977 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -1.523 -22.066 -11.355 1.00 0.00 H new ATOM 619 N SER B 9 -1.866 -20.127 -12.994 1.00 0.00 N ATOM 620 CA SER B 9 -2.212 -19.193 -14.099 1.00 0.00 C ATOM 621 C SER B 9 -1.053 -18.226 -14.358 1.00 0.00 C ATOM 622 O SER B 9 0.103 -18.596 -14.294 1.00 0.00 O ATOM 623 CB SER B 9 -3.443 -18.434 -13.606 1.00 0.00 C ATOM 624 OG SER B 9 -4.237 -19.300 -12.805 1.00 0.00 O ATOM 0 H SER B 9 -2.384 -19.985 -12.127 1.00 0.00 H new ATOM 0 HA SER B 9 -2.404 -19.716 -15.036 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.139 -17.561 -13.028 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.023 -18.069 -14.453 1.00 0.00 H new ATOM 0 HG SER B 9 -4.937 -18.781 -12.357 1.00 0.00 H new ATOM 630 N TYR B 10 -1.353 -16.990 -14.650 1.00 0.00 N ATOM 631 CA TYR B 10 -0.268 -16.002 -14.913 1.00 0.00 C ATOM 632 C TYR B 10 -0.531 -14.709 -14.136 1.00 0.00 C ATOM 633 O TYR B 10 -1.657 -14.270 -14.005 1.00 0.00 O ATOM 634 CB TYR B 10 -0.324 -15.743 -16.419 1.00 0.00 C ATOM 635 CG TYR B 10 -0.230 -17.056 -17.159 1.00 0.00 C ATOM 636 CD1 TYR B 10 -1.310 -17.947 -17.144 1.00 0.00 C ATOM 637 CD2 TYR B 10 0.936 -17.382 -17.862 1.00 0.00 C ATOM 638 CE1 TYR B 10 -1.224 -19.164 -17.831 1.00 0.00 C ATOM 639 CE2 TYR B 10 1.022 -18.599 -18.548 1.00 0.00 C ATOM 640 CZ TYR B 10 -0.057 -19.490 -18.533 1.00 0.00 C ATOM 641 OH TYR B 10 0.027 -20.689 -19.210 1.00 0.00 O ATOM 0 H TYR B 10 -2.302 -16.622 -14.718 1.00 0.00 H new ATOM 0 HA TYR B 10 0.709 -16.368 -14.599 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -1.252 -15.234 -16.677 1.00 0.00 H new ATOM 0 HB3 TYR B 10 0.493 -15.086 -16.717 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -2.210 -17.695 -16.602 1.00 0.00 H new ATOM 0 HD2 TYR B 10 1.769 -16.695 -17.875 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -2.057 -19.851 -17.820 1.00 0.00 H new ATOM 0 HE2 TYR B 10 1.922 -18.851 -19.089 1.00 0.00 H new ATOM 0 HH TYR B 10 0.903 -20.759 -19.645 1.00 0.00 H new ATOM 651 N ASP B 11 0.499 -14.097 -13.617 1.00 0.00 N ATOM 652 CA ASP B 11 0.309 -12.837 -12.848 1.00 0.00 C ATOM 653 C ASP B 11 -0.104 -11.701 -13.788 1.00 0.00 C ATOM 654 O ASP B 11 -0.024 -11.820 -14.994 1.00 0.00 O ATOM 655 CB ASP B 11 1.671 -12.547 -12.220 1.00 0.00 C ATOM 656 CG ASP B 11 1.507 -11.525 -11.093 1.00 0.00 C ATOM 657 OD1 ASP B 11 0.401 -11.043 -10.914 1.00 0.00 O ATOM 658 OD2 ASP B 11 2.491 -11.242 -10.430 1.00 0.00 O ATOM 0 H ASP B 11 1.465 -14.417 -13.693 1.00 0.00 H new ATOM 0 HA ASP B 11 -0.475 -12.926 -12.096 1.00 0.00 H new ATOM 0 HB2 ASP B 11 2.107 -13.467 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP B 11 2.357 -12.164 -12.975 1.00 0.00 H new ATOM 663 N LEU B 12 -0.541 -10.598 -13.243 1.00 0.00 N ATOM 664 CA LEU B 12 -0.957 -9.454 -14.101 1.00 0.00 C ATOM 665 C LEU B 12 -1.459 -8.297 -13.233 1.00 0.00 C ATOM 666 O LEU B 12 -1.939 -8.494 -12.134 1.00 0.00 O ATOM 667 CB LEU B 12 -2.087 -9.998 -14.975 1.00 0.00 C ATOM 668 CG LEU B 12 -3.159 -10.635 -14.088 1.00 0.00 C ATOM 669 CD1 LEU B 12 -4.233 -9.598 -13.757 1.00 0.00 C ATOM 670 CD2 LEU B 12 -3.800 -11.812 -14.828 1.00 0.00 C ATOM 0 H LEU B 12 -0.628 -10.441 -12.239 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.132 -9.068 -14.699 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -2.522 -9.193 -15.568 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -1.696 -10.735 -15.676 1.00 0.00 H new ATOM 0 HG LEU B 12 -2.701 -10.990 -13.165 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.996 -10.053 -13.125 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.779 -8.759 -13.230 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.691 -9.242 -14.680 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -4.564 -12.266 -14.197 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.257 -11.456 -15.751 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -3.036 -12.553 -15.064 1.00 0.00 H new ATOM 682 N GLY B 13 -1.354 -7.090 -13.719 1.00 0.00 N ATOM 683 CA GLY B 13 -1.826 -5.922 -12.924 1.00 0.00 C ATOM 684 C GLY B 13 -2.983 -5.241 -13.654 1.00 0.00 C ATOM 685 O GLY B 13 -4.105 -5.231 -13.189 1.00 0.00 O ATOM 0 H GLY B 13 -0.962 -6.863 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -2.148 -6.248 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -1.009 -5.215 -12.776 1.00 0.00 H new ATOM 689 N LYS B 14 -2.721 -4.672 -14.799 1.00 0.00 N ATOM 690 CA LYS B 14 -3.804 -3.996 -15.562 1.00 0.00 C ATOM 691 C LYS B 14 -3.312 -3.625 -16.964 1.00 0.00 C ATOM 692 O LYS B 14 -3.347 -4.427 -17.876 1.00 0.00 O ATOM 693 CB LYS B 14 -4.142 -2.744 -14.751 1.00 0.00 C ATOM 694 CG LYS B 14 -5.309 -3.045 -13.809 1.00 0.00 C ATOM 695 CD LYS B 14 -6.192 -1.802 -13.674 1.00 0.00 C ATOM 696 CE LYS B 14 -6.616 -1.632 -12.214 1.00 0.00 C ATOM 697 NZ LYS B 14 -5.382 -1.194 -11.504 1.00 0.00 N ATOM 0 H LYS B 14 -1.801 -4.647 -15.238 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.677 -4.635 -15.697 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -3.272 -2.423 -14.178 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -4.403 -1.924 -15.420 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -5.895 -3.880 -14.194 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -4.932 -3.344 -12.831 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -5.649 -0.919 -14.011 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -7.072 -1.897 -14.310 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -7.411 -0.892 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -6.998 -2.566 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -5.134 -1.894 -10.776 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -4.600 -1.111 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -5.549 -0.271 -11.055 1.00 0.00 H new ATOM 711 N LYS B 15 -2.853 -2.419 -17.144 1.00 0.00 N ATOM 712 CA LYS B 15 -2.359 -2.000 -18.487 1.00 0.00 C ATOM 713 C LYS B 15 -1.420 -0.799 -18.354 1.00 0.00 C ATOM 714 O LYS B 15 -1.622 0.055 -17.514 1.00 0.00 O ATOM 715 CB LYS B 15 -3.615 -1.616 -19.270 1.00 0.00 C ATOM 716 CG LYS B 15 -4.384 -2.881 -19.654 1.00 0.00 C ATOM 717 CD LYS B 15 -5.407 -2.547 -20.742 1.00 0.00 C ATOM 718 CE LYS B 15 -6.821 -2.729 -20.187 1.00 0.00 C ATOM 719 NZ LYS B 15 -6.942 -1.715 -19.103 1.00 0.00 N ATOM 0 H LYS B 15 -2.798 -1.704 -16.419 1.00 0.00 H new ATOM 0 HA LYS B 15 -1.795 -2.789 -18.984 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -4.246 -0.963 -18.668 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -3.342 -1.058 -20.166 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -3.693 -3.645 -20.012 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -4.889 -3.292 -18.780 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -5.268 -1.521 -21.084 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -5.258 -3.194 -21.607 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.572 -2.571 -20.961 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.967 -3.738 -19.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -7.933 -1.411 -19.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -6.632 -2.131 -18.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.346 -0.893 -19.328 1.00 0.00 H new ATOM 733 N PRO B 16 -0.421 -0.776 -19.194 1.00 0.00 N ATOM 734 CA PRO B 16 0.571 0.329 -19.177 1.00 0.00 C ATOM 735 C PRO B 16 -0.067 1.628 -19.673 1.00 0.00 C ATOM 736 O PRO B 16 -0.383 1.777 -20.837 1.00 0.00 O ATOM 737 CB PRO B 16 1.659 -0.153 -20.133 1.00 0.00 C ATOM 738 CG PRO B 16 0.971 -1.121 -21.040 1.00 0.00 C ATOM 739 CD PRO B 16 -0.124 -1.767 -20.234 1.00 0.00 C ATOM 0 HA PRO B 16 0.956 0.547 -18.181 1.00 0.00 H new ATOM 0 HB2 PRO B 16 2.089 0.677 -20.694 1.00 0.00 H new ATOM 0 HB3 PRO B 16 2.477 -0.630 -19.593 1.00 0.00 H new ATOM 0 HG2 PRO B 16 0.560 -0.610 -21.911 1.00 0.00 H new ATOM 0 HG3 PRO B 16 1.672 -1.869 -21.410 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -1.000 -1.979 -20.847 1.00 0.00 H new ATOM 0 HD3 PRO B 16 0.201 -2.714 -19.804 1.00 0.00 H new ATOM 747 N ILE B 17 -0.248 2.569 -18.791 1.00 0.00 N ATOM 748 CA ILE B 17 -0.858 3.869 -19.191 1.00 0.00 C ATOM 749 C ILE B 17 0.214 4.962 -19.209 1.00 0.00 C ATOM 750 O ILE B 17 1.252 4.835 -18.593 1.00 0.00 O ATOM 751 CB ILE B 17 -1.930 4.176 -18.135 1.00 0.00 C ATOM 752 CG1 ILE B 17 -1.467 3.711 -16.748 1.00 0.00 C ATOM 753 CG2 ILE B 17 -3.227 3.453 -18.501 1.00 0.00 C ATOM 754 CD1 ILE B 17 -2.162 4.537 -15.667 1.00 0.00 C ATOM 0 H ILE B 17 0.001 2.495 -17.805 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.293 3.825 -20.189 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.097 5.253 -18.110 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.695 2.654 -16.614 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.386 3.817 -16.661 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.989 3.670 -17.752 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.571 3.794 -19.478 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.047 2.378 -18.535 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -1.830 4.203 -14.684 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.911 5.590 -15.796 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.241 4.408 -15.748 1.00 0.00 H new ATOM 766 N TYR B 18 -0.022 6.034 -19.914 1.00 0.00 N ATOM 767 CA TYR B 18 0.995 7.123 -19.969 1.00 0.00 C ATOM 768 C TYR B 18 0.373 8.460 -19.560 1.00 0.00 C ATOM 769 O TYR B 18 -0.273 9.124 -20.349 1.00 0.00 O ATOM 770 CB TYR B 18 1.449 7.166 -21.428 1.00 0.00 C ATOM 771 CG TYR B 18 2.958 7.162 -21.490 1.00 0.00 C ATOM 772 CD1 TYR B 18 3.694 6.339 -20.627 1.00 0.00 C ATOM 773 CD2 TYR B 18 3.624 7.981 -22.410 1.00 0.00 C ATOM 774 CE1 TYR B 18 5.093 6.336 -20.686 1.00 0.00 C ATOM 775 CE2 TYR B 18 5.021 7.978 -22.469 1.00 0.00 C ATOM 776 CZ TYR B 18 5.757 7.156 -21.607 1.00 0.00 C ATOM 777 OH TYR B 18 7.135 7.152 -21.665 1.00 0.00 O ATOM 0 H TYR B 18 -0.871 6.203 -20.453 1.00 0.00 H new ATOM 0 HA TYR B 18 1.826 6.943 -19.287 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.051 6.307 -21.969 1.00 0.00 H new ATOM 0 HB3 TYR B 18 1.057 8.059 -21.915 1.00 0.00 H new ATOM 0 HD1 TYR B 18 3.182 5.707 -19.916 1.00 0.00 H new ATOM 0 HD2 TYR B 18 3.058 8.616 -23.075 1.00 0.00 H new ATOM 0 HE1 TYR B 18 5.660 5.701 -20.021 1.00 0.00 H new ATOM 0 HE2 TYR B 18 5.533 8.610 -23.180 1.00 0.00 H new ATOM 0 HH TYR B 18 7.435 7.776 -22.358 1.00 0.00 H new ATOM 787 N LYS B 19 0.566 8.862 -18.335 1.00 0.00 N ATOM 788 CA LYS B 19 -0.007 10.158 -17.873 1.00 0.00 C ATOM 789 C LYS B 19 0.832 10.722 -16.724 1.00 0.00 C ATOM 790 O LYS B 19 1.198 10.016 -15.805 1.00 0.00 O ATOM 791 CB LYS B 19 -1.419 9.819 -17.393 1.00 0.00 C ATOM 792 CG LYS B 19 -2.046 11.051 -16.738 1.00 0.00 C ATOM 793 CD LYS B 19 -2.829 11.844 -17.784 1.00 0.00 C ATOM 794 CE LYS B 19 -4.318 11.824 -17.434 1.00 0.00 C ATOM 795 NZ LYS B 19 -4.888 10.710 -18.242 1.00 0.00 N ATOM 0 H LYS B 19 1.097 8.348 -17.632 1.00 0.00 H new ATOM 0 HA LYS B 19 -0.017 10.912 -18.660 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -2.031 9.490 -18.233 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.384 8.994 -16.681 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.708 10.747 -15.927 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.269 11.677 -16.299 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.468 12.872 -17.822 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.672 11.415 -18.773 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.471 11.657 -16.368 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.794 12.773 -17.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -5.908 10.633 -18.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.734 10.900 -19.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.421 9.818 -17.982 1.00 0.00 H new ATOM 809 N LYS B 20 1.141 11.989 -16.768 1.00 0.00 N ATOM 810 CA LYS B 20 1.957 12.595 -15.680 1.00 0.00 C ATOM 811 C LYS B 20 2.332 14.036 -16.039 1.00 0.00 C ATOM 812 O LYS B 20 3.490 14.401 -16.051 1.00 0.00 O ATOM 813 CB LYS B 20 3.207 11.722 -15.585 1.00 0.00 C ATOM 814 CG LYS B 20 3.335 11.164 -14.167 1.00 0.00 C ATOM 815 CD LYS B 20 4.781 11.310 -13.688 1.00 0.00 C ATOM 816 CE LYS B 20 4.847 12.350 -12.568 1.00 0.00 C ATOM 817 NZ LYS B 20 6.301 12.557 -12.320 1.00 0.00 N ATOM 0 H LYS B 20 0.863 12.630 -17.511 1.00 0.00 H new ATOM 0 HA LYS B 20 1.417 12.634 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.148 10.905 -16.304 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.091 12.307 -15.838 1.00 0.00 H new ATOM 0 HG2 LYS B 20 2.663 11.696 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS B 20 3.039 10.115 -14.150 1.00 0.00 H new ATOM 0 HD2 LYS B 20 5.155 10.351 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS B 20 5.421 11.612 -14.517 1.00 0.00 H new ATOM 0 HE2 LYS B 20 4.361 13.280 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS B 20 4.340 11.996 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.428 13.259 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.736 11.657 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.756 12.900 -13.190 1.00 0.00 H new ATOM 831 N ALA B 21 1.360 14.855 -16.332 1.00 0.00 N ATOM 832 CA ALA B 21 1.661 16.271 -16.691 1.00 0.00 C ATOM 833 C ALA B 21 0.378 17.107 -16.666 1.00 0.00 C ATOM 834 O ALA B 21 -0.707 16.585 -16.831 1.00 0.00 O ATOM 835 CB ALA B 21 2.232 16.207 -18.108 1.00 0.00 C ATOM 0 H ALA B 21 0.371 14.606 -16.339 1.00 0.00 H new ATOM 0 HA ALA B 21 2.356 16.736 -15.992 1.00 0.00 H new ATOM 0 HB1 ALA B 21 2.480 17.213 -18.446 1.00 0.00 H new ATOM 0 HB2 ALA B 21 3.132 15.592 -18.110 1.00 0.00 H new ATOM 0 HB3 ALA B 21 1.492 15.771 -18.779 1.00 0.00 H new ATOM 841 N PRO B 22 0.550 18.384 -16.459 1.00 0.00 N ATOM 842 CA PRO B 22 -0.606 19.311 -16.410 1.00 0.00 C ATOM 843 C PRO B 22 -1.177 19.531 -17.814 1.00 0.00 C ATOM 844 O PRO B 22 -0.835 20.480 -18.491 1.00 0.00 O ATOM 845 CB PRO B 22 -0.006 20.602 -15.858 1.00 0.00 C ATOM 846 CG PRO B 22 1.446 20.535 -16.210 1.00 0.00 C ATOM 847 CD PRO B 22 1.826 19.078 -16.252 1.00 0.00 C ATOM 0 HA PRO B 22 -1.430 18.936 -15.804 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -0.479 21.478 -16.301 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.148 20.674 -14.780 1.00 0.00 H new ATOM 0 HG2 PRO B 22 1.631 21.009 -17.174 1.00 0.00 H new ATOM 0 HG3 PRO B 22 2.046 21.068 -15.473 1.00 0.00 H new ATOM 0 HD2 PRO B 22 2.528 18.872 -17.060 1.00 0.00 H new ATOM 0 HD3 PRO B 22 2.305 18.764 -15.325 1.00 0.00 H new ATOM 855 N THR B 23 -2.040 18.658 -18.257 1.00 0.00 N ATOM 856 CA THR B 23 -2.632 18.815 -19.617 1.00 0.00 C ATOM 857 C THR B 23 -2.993 20.280 -19.873 1.00 0.00 C ATOM 858 O THR B 23 -3.759 20.877 -19.142 1.00 0.00 O ATOM 859 CB THR B 23 -3.890 17.946 -19.604 1.00 0.00 C ATOM 860 OG1 THR B 23 -3.784 16.978 -18.570 1.00 0.00 O ATOM 861 CG2 THR B 23 -4.038 17.240 -20.952 1.00 0.00 C ATOM 0 H THR B 23 -2.361 17.842 -17.736 1.00 0.00 H new ATOM 0 HA THR B 23 -1.940 18.518 -20.405 1.00 0.00 H new ATOM 0 HB THR B 23 -4.764 18.573 -19.427 1.00 0.00 H new ATOM 0 HG1 THR B 23 -3.028 16.383 -18.755 1.00 0.00 H new ATOM 0 HG21 THR B 23 -4.935 16.621 -20.942 1.00 0.00 H new ATOM 0 HG22 THR B 23 -4.119 17.983 -21.745 1.00 0.00 H new ATOM 0 HG23 THR B 23 -3.165 16.612 -21.131 1.00 0.00 H new ATOM 869 N ASN B 24 -2.449 20.864 -20.905 1.00 0.00 N ATOM 870 CA ASN B 24 -2.762 22.291 -21.207 1.00 0.00 C ATOM 871 C ASN B 24 -1.873 22.798 -22.346 1.00 0.00 C ATOM 872 O ASN B 24 -1.378 23.906 -22.312 1.00 0.00 O ATOM 873 CB ASN B 24 -2.459 23.045 -19.912 1.00 0.00 C ATOM 874 CG ASN B 24 -3.745 23.674 -19.373 1.00 0.00 C ATOM 875 OD1 ASN B 24 -4.466 23.056 -18.616 1.00 0.00 O ATOM 876 ND2 ASN B 24 -4.066 24.886 -19.736 1.00 0.00 N ATOM 0 H ASN B 24 -1.801 20.415 -21.553 1.00 0.00 H new ATOM 0 HA ASN B 24 -3.795 22.429 -21.526 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -2.037 22.364 -19.173 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.713 23.818 -20.095 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -4.922 25.314 -19.384 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -3.461 25.405 -20.372 1.00 0.00 H new ATOM 883 N GLU B 25 -1.668 21.994 -23.353 1.00 0.00 N ATOM 884 CA GLU B 25 -0.812 22.432 -24.493 1.00 0.00 C ATOM 885 C GLU B 25 -1.652 23.185 -25.528 1.00 0.00 C ATOM 886 O GLU B 25 -2.693 23.732 -25.218 1.00 0.00 O ATOM 887 CB GLU B 25 -0.257 21.139 -25.091 1.00 0.00 C ATOM 888 CG GLU B 25 1.115 21.411 -25.712 1.00 0.00 C ATOM 889 CD GLU B 25 1.117 20.945 -27.169 1.00 0.00 C ATOM 890 OE1 GLU B 25 0.730 19.813 -27.409 1.00 0.00 O ATOM 891 OE2 GLU B 25 1.508 21.727 -28.020 1.00 0.00 O ATOM 0 H GLU B 25 -2.055 21.054 -23.436 1.00 0.00 H new ATOM 0 HA GLU B 25 -0.018 23.109 -24.177 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -0.173 20.375 -24.318 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -0.940 20.753 -25.848 1.00 0.00 H new ATOM 0 HG2 GLU B 25 1.345 22.475 -25.659 1.00 0.00 H new ATOM 0 HG3 GLU B 25 1.890 20.889 -25.151 1.00 0.00 H new ATOM 898 N PHE B 26 -1.209 23.219 -26.755 1.00 0.00 N ATOM 899 CA PHE B 26 -1.984 23.936 -27.808 1.00 0.00 C ATOM 900 C PHE B 26 -1.850 23.210 -29.150 1.00 0.00 C ATOM 901 O PHE B 26 -0.895 22.498 -29.389 1.00 0.00 O ATOM 902 CB PHE B 26 -1.352 25.326 -27.885 1.00 0.00 C ATOM 903 CG PHE B 26 -1.819 26.023 -29.141 1.00 0.00 C ATOM 904 CD1 PHE B 26 -3.032 26.720 -29.145 1.00 0.00 C ATOM 905 CD2 PHE B 26 -1.037 25.971 -30.301 1.00 0.00 C ATOM 906 CE1 PHE B 26 -3.464 27.367 -30.310 1.00 0.00 C ATOM 907 CE2 PHE B 26 -1.469 26.617 -31.465 1.00 0.00 C ATOM 908 CZ PHE B 26 -2.683 27.314 -31.470 1.00 0.00 C ATOM 0 H PHE B 26 -0.345 22.782 -27.074 1.00 0.00 H new ATOM 0 HA PHE B 26 -3.048 23.984 -27.578 1.00 0.00 H new ATOM 0 HB2 PHE B 26 -1.627 25.911 -27.008 1.00 0.00 H new ATOM 0 HB3 PHE B 26 -0.265 25.243 -27.885 1.00 0.00 H new ATOM 0 HD1 PHE B 26 -3.635 26.759 -28.250 1.00 0.00 H new ATOM 0 HD2 PHE B 26 -0.101 25.433 -30.298 1.00 0.00 H new ATOM 0 HE1 PHE B 26 -4.400 27.907 -30.313 1.00 0.00 H new ATOM 0 HE2 PHE B 26 -0.865 26.578 -32.360 1.00 0.00 H new ATOM 0 HZ PHE B 26 -3.017 27.811 -32.369 1.00 0.00 H new ATOM 918 N TYR B 27 -2.800 23.386 -30.027 1.00 0.00 N ATOM 919 CA TYR B 27 -2.726 22.706 -31.352 1.00 0.00 C ATOM 920 C TYR B 27 -3.804 23.256 -32.290 1.00 0.00 C ATOM 921 O TYR B 27 -4.867 23.659 -31.861 1.00 0.00 O ATOM 922 CB TYR B 27 -2.979 21.227 -31.053 1.00 0.00 C ATOM 923 CG TYR B 27 -4.215 21.091 -30.197 1.00 0.00 C ATOM 924 CD1 TYR B 27 -4.119 21.209 -28.805 1.00 0.00 C ATOM 925 CD2 TYR B 27 -5.458 20.848 -30.794 1.00 0.00 C ATOM 926 CE1 TYR B 27 -5.265 21.083 -28.011 1.00 0.00 C ATOM 927 CE2 TYR B 27 -6.604 20.722 -30.000 1.00 0.00 C ATOM 928 CZ TYR B 27 -6.507 20.839 -28.609 1.00 0.00 C ATOM 929 OH TYR B 27 -7.637 20.715 -27.827 1.00 0.00 O ATOM 0 H TYR B 27 -3.624 23.971 -29.884 1.00 0.00 H new ATOM 0 HA TYR B 27 -1.766 22.864 -31.844 1.00 0.00 H new ATOM 0 HB2 TYR B 27 -3.105 20.673 -31.983 1.00 0.00 H new ATOM 0 HB3 TYR B 27 -2.119 20.796 -30.540 1.00 0.00 H new ATOM 0 HD1 TYR B 27 -3.161 21.397 -28.344 1.00 0.00 H new ATOM 0 HD2 TYR B 27 -5.533 20.758 -31.868 1.00 0.00 H new ATOM 0 HE1 TYR B 27 -5.191 21.174 -26.937 1.00 0.00 H new ATOM 0 HE2 TYR B 27 -7.563 20.535 -30.461 1.00 0.00 H new ATOM 0 HH TYR B 27 -8.415 20.549 -28.400 1.00 0.00 H new ATOM 939 N ALA B 28 -3.538 23.277 -33.568 1.00 0.00 N ATOM 940 CA ALA B 28 -4.547 23.801 -34.531 1.00 0.00 C ATOM 941 C ALA B 28 -5.330 22.645 -35.160 1.00 0.00 C ATOM 942 O ALA B 28 -6.418 22.891 -35.654 1.00 0.00 O ATOM 943 CB ALA B 28 -3.733 24.539 -35.596 1.00 0.00 C ATOM 944 OXT ALA B 28 -4.827 21.534 -35.136 1.00 0.00 O ATOM 0 H ALA B 28 -2.666 22.954 -33.986 1.00 0.00 H new ATOM 0 HA ALA B 28 -5.276 24.453 -34.050 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.407 24.956 -36.345 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.168 25.345 -35.128 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -3.044 23.843 -36.075 1.00 0.00 H new TER 950 ALA B 28