USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -78:sc= 1.18 USER MOD Set 1.2: A 37 GLN : amide:sc= 2.03 K(o=3.2,f=-4.3!) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.408 K(o=0.61,f=-1.8) USER MOD Set 2.2: A 30 GLN : amide:sc= 0.2 K(o=0.61,f=-1.8) USER MOD Set 3.1: A 19 ASN : amide:sc= 2.35 K(o=3.6,f=-3.7) USER MOD Set 3.2: A 56 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0547 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00205 USER MOD Single : A 3 SER OG : rot -8:sc= 0.38 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 94:sc= 0.278 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 MET CE :methyl 161:sc= -0.649 (180deg=-1.03) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -144:sc= -1.55 (180deg=-2.72!) USER MOD Single : A 62 SER OG : rot -32:sc= 0.0457 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 73 SER OG : rot -55:sc= 0.0983 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.758 -6.844 -23.681 1.00 0.00 N ATOM 2 CA GLY A 1 -26.547 -8.030 -22.839 1.00 0.00 C ATOM 3 C GLY A 1 -25.243 -7.805 -22.116 1.00 0.00 C ATOM 4 O GLY A 1 -25.073 -6.719 -21.573 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.763 -6.576 -23.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.182 -6.056 -23.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.479 -7.059 -24.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.367 -8.157 -22.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.505 -8.935 -23.445 1.00 0.00 H new ATOM 8 N SER A 2 -24.306 -8.747 -22.195 1.00 0.00 N ATOM 9 CA SER A 2 -22.895 -8.410 -22.100 1.00 0.00 C ATOM 10 C SER A 2 -22.486 -7.598 -23.348 1.00 0.00 C ATOM 11 O SER A 2 -23.334 -7.226 -24.178 1.00 0.00 O ATOM 12 CB SER A 2 -22.123 -9.725 -21.958 1.00 0.00 C ATOM 13 OG SER A 2 -22.412 -10.583 -23.045 1.00 0.00 O ATOM 0 H SER A 2 -24.499 -9.740 -22.323 1.00 0.00 H new ATOM 0 HA SER A 2 -22.672 -7.785 -21.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.052 -9.524 -21.919 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.390 -10.212 -21.020 1.00 0.00 H new ATOM 0 HG SER A 2 -21.911 -11.419 -22.944 1.00 0.00 H new ATOM 19 N SER A 3 -21.195 -7.305 -23.502 1.00 0.00 N ATOM 20 CA SER A 3 -20.583 -6.770 -24.716 1.00 0.00 C ATOM 21 C SER A 3 -19.149 -7.322 -24.794 1.00 0.00 C ATOM 22 O SER A 3 -18.875 -8.382 -24.224 1.00 0.00 O ATOM 23 CB SER A 3 -20.676 -5.234 -24.721 1.00 0.00 C ATOM 24 OG SER A 3 -22.016 -4.818 -24.501 1.00 0.00 O ATOM 0 H SER A 3 -20.518 -7.440 -22.751 1.00 0.00 H new ATOM 0 HA SER A 3 -21.108 -7.087 -25.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.029 -4.822 -23.947 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.320 -4.845 -25.675 1.00 0.00 H new ATOM 0 HG SER A 3 -22.608 -5.599 -24.516 1.00 0.00 H new ATOM 30 N GLY A 4 -18.246 -6.672 -25.529 1.00 0.00 N ATOM 31 CA GLY A 4 -16.834 -7.032 -25.553 1.00 0.00 C ATOM 32 C GLY A 4 -16.123 -6.238 -24.466 1.00 0.00 C ATOM 33 O GLY A 4 -15.905 -5.045 -24.665 1.00 0.00 O ATOM 0 H GLY A 4 -18.478 -5.878 -26.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.711 -8.102 -25.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.402 -6.812 -26.529 1.00 0.00 H new ATOM 37 N SER A 5 -15.818 -6.873 -23.332 1.00 0.00 N ATOM 38 CA SER A 5 -15.171 -6.317 -22.150 1.00 0.00 C ATOM 39 C SER A 5 -15.793 -4.990 -21.688 1.00 0.00 C ATOM 40 O SER A 5 -15.443 -3.908 -22.172 1.00 0.00 O ATOM 41 CB SER A 5 -13.653 -6.238 -22.365 1.00 0.00 C ATOM 42 OG SER A 5 -13.006 -6.106 -21.112 1.00 0.00 O ATOM 0 H SER A 5 -16.035 -7.862 -23.211 1.00 0.00 H new ATOM 0 HA SER A 5 -15.350 -6.999 -21.319 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.300 -7.134 -22.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.409 -5.389 -23.004 1.00 0.00 H new ATOM 0 HG SER A 5 -12.037 -6.057 -21.248 1.00 0.00 H new ATOM 48 N SER A 6 -16.711 -5.057 -20.723 1.00 0.00 N ATOM 49 CA SER A 6 -17.360 -3.899 -20.122 1.00 0.00 C ATOM 50 C SER A 6 -17.155 -3.910 -18.603 1.00 0.00 C ATOM 51 O SER A 6 -17.989 -4.418 -17.855 1.00 0.00 O ATOM 52 CB SER A 6 -18.822 -3.829 -20.586 1.00 0.00 C ATOM 53 OG SER A 6 -19.486 -5.088 -20.580 1.00 0.00 O ATOM 0 H SER A 6 -17.030 -5.943 -20.330 1.00 0.00 H new ATOM 0 HA SER A 6 -16.902 -2.970 -20.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.366 -3.139 -19.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.854 -3.416 -21.594 1.00 0.00 H new ATOM 0 HG SER A 6 -20.410 -4.972 -20.884 1.00 0.00 H new ATOM 59 N GLY A 7 -16.024 -3.373 -18.136 1.00 0.00 N ATOM 60 CA GLY A 7 -15.548 -3.522 -16.764 1.00 0.00 C ATOM 61 C GLY A 7 -14.689 -2.352 -16.284 1.00 0.00 C ATOM 62 O GLY A 7 -13.756 -2.572 -15.505 1.00 0.00 O ATOM 0 H GLY A 7 -15.402 -2.811 -18.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.406 -3.628 -16.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.969 -4.442 -16.687 1.00 0.00 H new ATOM 66 N VAL A 8 -14.979 -1.124 -16.735 1.00 0.00 N ATOM 67 CA VAL A 8 -14.357 0.107 -16.283 1.00 0.00 C ATOM 68 C VAL A 8 -14.675 0.258 -14.804 1.00 0.00 C ATOM 69 O VAL A 8 -15.797 0.583 -14.411 1.00 0.00 O ATOM 70 CB VAL A 8 -14.836 1.359 -17.056 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.901 2.532 -16.729 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.881 1.194 -18.574 1.00 0.00 C ATOM 0 H VAL A 8 -15.684 -0.965 -17.455 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.285 0.039 -16.466 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.862 1.536 -16.732 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.229 3.420 -17.269 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.925 2.729 -15.657 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.884 2.281 -17.029 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.228 2.121 -19.031 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.883 0.958 -18.944 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.564 0.385 -18.832 1.00 0.00 H new ATOM 82 N ARG A 9 -13.681 0.004 -13.978 1.00 0.00 N ATOM 83 CA ARG A 9 -13.616 0.475 -12.608 1.00 0.00 C ATOM 84 C ARG A 9 -12.543 1.550 -12.515 1.00 0.00 C ATOM 85 O ARG A 9 -11.722 1.707 -13.421 1.00 0.00 O ATOM 86 CB ARG A 9 -13.292 -0.707 -11.697 1.00 0.00 C ATOM 87 CG ARG A 9 -14.390 -1.778 -11.651 1.00 0.00 C ATOM 88 CD ARG A 9 -15.724 -1.332 -11.042 1.00 0.00 C ATOM 89 NE ARG A 9 -16.678 -0.794 -12.032 1.00 0.00 N ATOM 90 CZ ARG A 9 -17.981 -0.592 -11.793 1.00 0.00 C ATOM 91 NH1 ARG A 9 -18.461 -0.753 -10.568 1.00 0.00 N ATOM 92 NH2 ARG A 9 -18.807 -0.231 -12.767 1.00 0.00 N ATOM 0 H ARG A 9 -12.871 -0.553 -14.249 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.568 0.903 -12.295 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.363 -1.168 -12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.117 -0.337 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.574 -2.128 -12.667 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.018 -2.630 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.182 -2.180 -10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.532 -0.571 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.322 -0.561 -12.959 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.839 -1.030 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.453 -0.600 -10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.453 -0.103 -13.715 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.796 -0.081 -12.568 1.00 0.00 H new ATOM 106 N VAL A 10 -12.561 2.296 -11.420 1.00 0.00 N ATOM 107 CA VAL A 10 -11.523 3.224 -11.040 1.00 0.00 C ATOM 108 C VAL A 10 -10.550 2.496 -10.116 1.00 0.00 C ATOM 109 O VAL A 10 -10.919 1.473 -9.530 1.00 0.00 O ATOM 110 CB VAL A 10 -12.191 4.396 -10.312 1.00 0.00 C ATOM 111 CG1 VAL A 10 -13.201 5.121 -11.213 1.00 0.00 C ATOM 112 CG2 VAL A 10 -12.848 3.991 -8.983 1.00 0.00 C ATOM 0 H VAL A 10 -13.331 2.265 -10.751 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.975 3.600 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.384 5.087 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.654 5.945 -10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.689 5.510 -12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.978 4.423 -11.524 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.302 4.867 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.616 3.241 -9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.093 3.578 -8.315 1.00 0.00 H new ATOM 122 N LEU A 11 -9.349 3.044 -9.920 1.00 0.00 N ATOM 123 CA LEU A 11 -8.366 2.493 -8.995 1.00 0.00 C ATOM 124 C LEU A 11 -7.682 3.617 -8.219 1.00 0.00 C ATOM 125 O LEU A 11 -6.537 3.983 -8.481 1.00 0.00 O ATOM 126 CB LEU A 11 -7.355 1.637 -9.775 1.00 0.00 C ATOM 127 CG LEU A 11 -7.967 0.356 -10.364 1.00 0.00 C ATOM 128 CD1 LEU A 11 -7.097 -0.229 -11.466 1.00 0.00 C ATOM 129 CD2 LEU A 11 -8.161 -0.703 -9.279 1.00 0.00 C ATOM 0 H LEU A 11 -9.033 3.886 -10.402 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.862 1.852 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.932 2.234 -10.583 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.532 1.367 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.932 0.635 -10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.564 -1.133 -11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.989 0.500 -12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.114 -0.473 -11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.595 -1.600 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.197 -0.948 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.829 -0.317 -8.509 1.00 0.00 H new ATOM 141 N SER A 12 -8.413 4.170 -7.258 1.00 0.00 N ATOM 142 CA SER A 12 -7.907 5.166 -6.321 1.00 0.00 C ATOM 143 C SER A 12 -7.014 4.515 -5.261 1.00 0.00 C ATOM 144 O SER A 12 -7.061 3.299 -5.055 1.00 0.00 O ATOM 145 CB SER A 12 -9.066 5.925 -5.671 1.00 0.00 C ATOM 146 OG SER A 12 -8.654 7.253 -5.424 1.00 0.00 O ATOM 0 H SER A 12 -9.393 3.934 -7.105 1.00 0.00 H new ATOM 0 HA SER A 12 -7.298 5.881 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.938 5.915 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.360 5.441 -4.740 1.00 0.00 H new ATOM 0 HG SER A 12 -9.388 7.752 -5.009 1.00 0.00 H new ATOM 152 N TYR A 13 -6.187 5.334 -4.612 1.00 0.00 N ATOM 153 CA TYR A 13 -5.131 4.917 -3.703 1.00 0.00 C ATOM 154 C TYR A 13 -5.637 4.896 -2.268 1.00 0.00 C ATOM 155 O TYR A 13 -5.791 5.951 -1.645 1.00 0.00 O ATOM 156 CB TYR A 13 -3.927 5.849 -3.876 1.00 0.00 C ATOM 157 CG TYR A 13 -3.245 5.585 -5.196 1.00 0.00 C ATOM 158 CD1 TYR A 13 -3.749 6.158 -6.377 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.202 4.644 -5.257 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.241 5.759 -7.619 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.643 4.293 -6.494 1.00 0.00 C ATOM 162 CZ TYR A 13 -2.177 4.834 -7.681 1.00 0.00 C ATOM 163 OH TYR A 13 -1.686 4.439 -8.880 1.00 0.00 O ATOM 0 H TYR A 13 -6.241 6.348 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.816 3.901 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.253 6.888 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.222 5.699 -3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.527 6.905 -6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.831 4.191 -4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.663 6.159 -8.529 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.807 3.611 -6.537 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.956 3.801 -8.740 1.00 0.00 H new ATOM 173 N ASP A 14 -5.917 3.699 -1.754 1.00 0.00 N ATOM 174 CA ASP A 14 -6.433 3.509 -0.404 1.00 0.00 C ATOM 175 C ASP A 14 -5.349 3.788 0.628 1.00 0.00 C ATOM 176 O ASP A 14 -4.518 2.935 0.955 1.00 0.00 O ATOM 177 CB ASP A 14 -6.988 2.102 -0.188 1.00 0.00 C ATOM 178 CG ASP A 14 -8.313 1.890 -0.905 1.00 0.00 C ATOM 179 OD1 ASP A 14 -9.308 2.546 -0.521 1.00 0.00 O ATOM 180 OD2 ASP A 14 -8.358 1.041 -1.825 1.00 0.00 O ATOM 0 H ASP A 14 -5.790 2.828 -2.269 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.252 4.217 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.263 1.369 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.122 1.926 0.879 1.00 0.00 H new ATOM 185 N LYS A 15 -5.380 4.989 1.192 1.00 0.00 N ATOM 186 CA LYS A 15 -4.548 5.357 2.323 1.00 0.00 C ATOM 187 C LYS A 15 -5.262 5.131 3.650 1.00 0.00 C ATOM 188 O LYS A 15 -4.607 5.253 4.681 1.00 0.00 O ATOM 189 CB LYS A 15 -4.017 6.784 2.152 1.00 0.00 C ATOM 190 CG LYS A 15 -5.104 7.846 1.923 1.00 0.00 C ATOM 191 CD LYS A 15 -4.525 9.269 1.891 1.00 0.00 C ATOM 192 CE LYS A 15 -3.912 9.618 3.253 1.00 0.00 C ATOM 193 NZ LYS A 15 -3.667 11.059 3.455 1.00 0.00 N ATOM 0 H LYS A 15 -5.991 5.740 0.871 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.681 4.697 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.445 7.054 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.326 6.802 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.616 7.643 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.850 7.777 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.766 9.344 1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.309 9.984 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.576 9.260 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.969 9.082 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.253 11.212 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.009 11.405 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.566 11.577 3.384 1.00 0.00 H new ATOM 207 N GLU A 16 -6.548 4.774 3.674 1.00 0.00 N ATOM 208 CA GLU A 16 -7.325 4.621 4.887 1.00 0.00 C ATOM 209 C GLU A 16 -7.989 3.253 5.033 1.00 0.00 C ATOM 210 O GLU A 16 -8.391 2.928 6.149 1.00 0.00 O ATOM 211 CB GLU A 16 -8.388 5.719 4.867 1.00 0.00 C ATOM 212 CG GLU A 16 -8.209 6.706 6.011 1.00 0.00 C ATOM 213 CD GLU A 16 -8.736 6.172 7.340 1.00 0.00 C ATOM 214 OE1 GLU A 16 -9.966 5.973 7.441 1.00 0.00 O ATOM 215 OE2 GLU A 16 -7.931 5.924 8.270 1.00 0.00 O ATOM 0 H GLU A 16 -7.082 4.581 2.827 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.653 4.702 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.341 6.252 3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.378 5.267 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.151 6.947 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.725 7.635 5.768 1.00 0.00 H new ATOM 222 N LYS A 17 -8.099 2.443 3.971 1.00 0.00 N ATOM 223 CA LYS A 17 -8.550 1.057 4.109 1.00 0.00 C ATOM 224 C LYS A 17 -7.379 0.131 3.863 1.00 0.00 C ATOM 225 O LYS A 17 -6.448 0.479 3.134 1.00 0.00 O ATOM 226 CB LYS A 17 -9.793 0.731 3.257 1.00 0.00 C ATOM 227 CG LYS A 17 -9.519 0.111 1.876 1.00 0.00 C ATOM 228 CD LYS A 17 -10.720 0.155 0.923 1.00 0.00 C ATOM 229 CE LYS A 17 -11.917 -0.687 1.386 1.00 0.00 C ATOM 230 NZ LYS A 17 -13.102 -0.463 0.529 1.00 0.00 N ATOM 0 H LYS A 17 -7.883 2.724 3.015 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.898 0.902 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.427 0.047 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.363 1.649 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.682 0.634 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.212 -0.926 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.041 1.190 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.403 -0.193 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.649 -1.743 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.161 -0.437 2.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.892 -1.047 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.372 0.541 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.876 -0.725 -0.452 1.00 0.00 H new ATOM 244 N LEU A 18 -7.408 -1.044 4.481 1.00 0.00 N ATOM 245 CA LEU A 18 -6.397 -2.043 4.314 1.00 0.00 C ATOM 246 C LEU A 18 -6.633 -2.687 2.960 1.00 0.00 C ATOM 247 O LEU A 18 -7.528 -3.520 2.815 1.00 0.00 O ATOM 248 CB LEU A 18 -6.480 -3.023 5.488 1.00 0.00 C ATOM 249 CG LEU A 18 -6.589 -2.384 6.885 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.535 -1.299 7.112 1.00 0.00 C ATOM 251 CD2 LEU A 18 -7.960 -1.843 7.307 1.00 0.00 C ATOM 0 H LEU A 18 -8.154 -1.319 5.120 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.385 -1.639 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.344 -3.670 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.596 -3.661 5.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.410 -3.245 7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.654 -0.880 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.540 -1.733 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.659 -0.510 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.892 -1.422 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.276 -1.068 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.688 -2.654 7.302 1.00 0.00 H new ATOM 263 N ASN A 19 -5.870 -2.262 1.954 1.00 0.00 N ATOM 264 CA ASN A 19 -5.985 -2.808 0.603 1.00 0.00 C ATOM 265 C ASN A 19 -4.632 -3.189 0.005 1.00 0.00 C ATOM 266 O ASN A 19 -4.601 -3.846 -1.024 1.00 0.00 O ATOM 267 CB ASN A 19 -6.702 -1.816 -0.326 1.00 0.00 C ATOM 268 CG ASN A 19 -7.480 -2.495 -1.451 1.00 0.00 C ATOM 269 OD1 ASN A 19 -7.417 -3.701 -1.681 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.266 -1.726 -2.174 1.00 0.00 N ATOM 0 H ASN A 19 -5.160 -1.536 2.051 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.575 -3.720 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.387 -1.207 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.966 -1.139 -0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.824 -2.130 -2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.317 -0.726 -1.982 1.00 0.00 H new ATOM 277 N TRP A 20 -3.511 -2.804 0.615 1.00 0.00 N ATOM 278 CA TRP A 20 -2.200 -2.974 0.009 1.00 0.00 C ATOM 279 C TRP A 20 -1.476 -4.132 0.668 1.00 0.00 C ATOM 280 O TRP A 20 -1.174 -4.098 1.861 1.00 0.00 O ATOM 281 CB TRP A 20 -1.421 -1.665 0.058 1.00 0.00 C ATOM 282 CG TRP A 20 -2.077 -0.590 -0.739 1.00 0.00 C ATOM 283 CD1 TRP A 20 -3.065 0.229 -0.316 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.861 -0.272 -2.142 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.492 1.007 -1.371 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.746 0.780 -2.510 1.00 0.00 C ATOM 287 CE3 TRP A 20 -1.001 -0.780 -3.135 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.744 1.329 -3.801 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.999 -0.247 -4.438 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.863 0.814 -4.769 1.00 0.00 C ATOM 0 H TRP A 20 -3.491 -2.369 1.537 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.304 -3.227 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.325 -1.340 1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.412 -1.830 -0.319 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.458 0.268 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.265 1.670 -1.317 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.332 -1.592 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.413 2.140 -4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.333 -0.653 -5.185 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.849 1.232 -5.765 1.00 0.00 H new ATOM 301 N LEU A 21 -1.226 -5.173 -0.111 1.00 0.00 N ATOM 302 CA LEU A 21 -0.498 -6.366 0.278 1.00 0.00 C ATOM 303 C LEU A 21 0.978 -6.124 -0.030 1.00 0.00 C ATOM 304 O LEU A 21 1.306 -5.355 -0.938 1.00 0.00 O ATOM 305 CB LEU A 21 -1.010 -7.542 -0.575 1.00 0.00 C ATOM 306 CG LEU A 21 -2.500 -7.888 -0.379 1.00 0.00 C ATOM 307 CD1 LEU A 21 -2.975 -8.850 -1.469 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.749 -8.512 0.995 1.00 0.00 C ATOM 0 H LEU A 21 -1.542 -5.208 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.635 -6.591 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.842 -7.309 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.414 -8.425 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.064 -6.958 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.029 -9.083 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.846 -8.385 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.390 -9.769 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.808 -8.745 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.165 -9.428 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.451 -7.809 1.773 1.00 0.00 H new ATOM 320 N TYR A 22 1.867 -6.819 0.681 1.00 0.00 N ATOM 321 CA TYR A 22 3.274 -6.927 0.316 1.00 0.00 C ATOM 322 C TYR A 22 3.753 -8.343 0.584 1.00 0.00 C ATOM 323 O TYR A 22 3.155 -9.055 1.385 1.00 0.00 O ATOM 324 CB TYR A 22 4.140 -5.906 1.067 1.00 0.00 C ATOM 325 CG TYR A 22 4.279 -6.051 2.578 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.135 -7.021 3.140 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.682 -5.095 3.419 1.00 0.00 C ATOM 328 CE1 TYR A 22 5.380 -7.048 4.527 1.00 0.00 C ATOM 329 CE2 TYR A 22 3.947 -5.093 4.801 1.00 0.00 C ATOM 330 CZ TYR A 22 4.769 -6.092 5.369 1.00 0.00 C ATOM 331 OH TYR A 22 4.981 -6.109 6.716 1.00 0.00 O ATOM 0 H TYR A 22 1.626 -7.326 1.533 1.00 0.00 H new ATOM 0 HA TYR A 22 3.373 -6.703 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.141 -5.938 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.737 -4.914 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.608 -7.751 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.015 -4.356 3.001 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.034 -7.798 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.521 -4.325 5.430 1.00 0.00 H new ATOM 0 HH TYR A 22 4.482 -5.377 7.135 1.00 0.00 H new ATOM 341 N LYS A 23 4.866 -8.739 -0.034 1.00 0.00 N ATOM 342 CA LYS A 23 5.656 -9.899 0.371 1.00 0.00 C ATOM 343 C LYS A 23 6.866 -9.406 1.157 1.00 0.00 C ATOM 344 O LYS A 23 7.374 -8.321 0.858 1.00 0.00 O ATOM 345 CB LYS A 23 6.158 -10.658 -0.858 1.00 0.00 C ATOM 346 CG LYS A 23 5.896 -12.167 -0.791 1.00 0.00 C ATOM 347 CD LYS A 23 6.942 -12.901 -1.632 1.00 0.00 C ATOM 348 CE LYS A 23 6.467 -14.285 -2.061 1.00 0.00 C ATOM 349 NZ LYS A 23 7.407 -14.870 -3.038 1.00 0.00 N ATOM 0 H LYS A 23 5.250 -8.253 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 23 5.036 -10.562 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.677 -10.252 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.229 -10.487 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.939 -12.509 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.895 -12.390 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.176 -12.308 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.865 -12.996 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.386 -14.935 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.472 -14.215 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.071 -15.813 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.464 -14.256 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.349 -14.954 -2.606 1.00 0.00 H new ATOM 363 N ASP A 24 7.339 -10.195 2.113 1.00 0.00 N ATOM 364 CA ASP A 24 8.452 -9.835 3.003 1.00 0.00 C ATOM 365 C ASP A 24 9.599 -10.850 2.815 1.00 0.00 C ATOM 366 O ASP A 24 9.433 -11.804 2.041 1.00 0.00 O ATOM 367 CB ASP A 24 7.914 -9.762 4.448 1.00 0.00 C ATOM 368 CG ASP A 24 8.355 -8.538 5.269 1.00 0.00 C ATOM 369 OD1 ASP A 24 8.912 -7.563 4.717 1.00 0.00 O ATOM 370 OD2 ASP A 24 8.175 -8.591 6.505 1.00 0.00 O ATOM 0 H ASP A 24 6.957 -11.122 2.301 1.00 0.00 H new ATOM 0 HA ASP A 24 8.867 -8.856 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.825 -9.777 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.227 -10.662 4.977 1.00 0.00 H new ATOM 375 N PRO A 25 10.756 -10.728 3.494 1.00 0.00 N ATOM 376 CA PRO A 25 11.865 -11.674 3.381 1.00 0.00 C ATOM 377 C PRO A 25 11.535 -13.012 4.053 1.00 0.00 C ATOM 378 O PRO A 25 12.192 -14.013 3.785 1.00 0.00 O ATOM 379 CB PRO A 25 13.068 -10.988 4.030 1.00 0.00 C ATOM 380 CG PRO A 25 12.445 -10.056 5.065 1.00 0.00 C ATOM 381 CD PRO A 25 11.045 -9.754 4.525 1.00 0.00 C ATOM 0 HA PRO A 25 12.072 -11.921 2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.737 -11.712 4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.656 -10.435 3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.397 -10.529 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.030 -9.144 5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.306 -9.811 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.000 -8.743 4.120 1.00 0.00 H new ATOM 389 N GLN A 26 10.449 -13.073 4.829 1.00 0.00 N ATOM 390 CA GLN A 26 9.869 -14.308 5.343 1.00 0.00 C ATOM 391 C GLN A 26 9.345 -15.177 4.189 1.00 0.00 C ATOM 392 O GLN A 26 9.173 -16.389 4.358 1.00 0.00 O ATOM 393 CB GLN A 26 8.677 -13.961 6.248 1.00 0.00 C ATOM 394 CG GLN A 26 9.001 -13.026 7.422 1.00 0.00 C ATOM 395 CD GLN A 26 7.785 -12.229 7.877 1.00 0.00 C ATOM 396 OE1 GLN A 26 6.646 -12.687 7.809 1.00 0.00 O ATOM 397 NE2 GLN A 26 7.997 -11.012 8.330 1.00 0.00 N ATOM 0 H GLN A 26 9.939 -12.240 5.122 1.00 0.00 H new ATOM 0 HA GLN A 26 10.638 -14.851 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.901 -13.498 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.261 -14.887 6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.381 -13.614 8.258 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.794 -12.339 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.947 -10.645 8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.211 -10.436 8.630 1.00 0.00 H new ATOM 406 N GLY A 27 9.062 -14.566 3.032 1.00 0.00 N ATOM 407 CA GLY A 27 8.410 -15.159 1.874 1.00 0.00 C ATOM 408 C GLY A 27 6.887 -15.136 1.976 1.00 0.00 C ATOM 409 O GLY A 27 6.225 -15.494 1.002 1.00 0.00 O ATOM 0 H GLY A 27 9.299 -13.586 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.717 -14.623 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.746 -16.190 1.761 1.00 0.00 H new ATOM 413 N LEU A 28 6.325 -14.731 3.120 1.00 0.00 N ATOM 414 CA LEU A 28 4.887 -14.584 3.290 1.00 0.00 C ATOM 415 C LEU A 28 4.443 -13.320 2.574 1.00 0.00 C ATOM 416 O LEU A 28 5.115 -12.288 2.670 1.00 0.00 O ATOM 417 CB LEU A 28 4.487 -14.459 4.777 1.00 0.00 C ATOM 418 CG LEU A 28 4.394 -15.754 5.600 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.693 -16.885 4.850 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.753 -16.248 6.090 1.00 0.00 C ATOM 0 H LEU A 28 6.863 -14.496 3.954 1.00 0.00 H new ATOM 0 HA LEU A 28 4.409 -15.473 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.207 -13.802 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.519 -13.961 4.824 1.00 0.00 H new ATOM 0 HG LEU A 28 3.790 -15.482 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.657 -17.773 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.678 -16.579 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.243 -17.111 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.621 -17.165 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.399 -16.445 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.211 -15.487 6.722 1.00 0.00 H new ATOM 432 N VAL A 29 3.288 -13.394 1.918 1.00 0.00 N ATOM 433 CA VAL A 29 2.432 -12.245 1.693 1.00 0.00 C ATOM 434 C VAL A 29 1.878 -11.854 3.066 1.00 0.00 C ATOM 435 O VAL A 29 1.447 -12.719 3.834 1.00 0.00 O ATOM 436 CB VAL A 29 1.314 -12.586 0.682 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.387 -11.383 0.442 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.911 -13.022 -0.665 1.00 0.00 C ATOM 0 H VAL A 29 2.922 -14.262 1.527 1.00 0.00 H new ATOM 0 HA VAL A 29 2.978 -11.410 1.255 1.00 0.00 H new ATOM 0 HB VAL A 29 0.735 -13.403 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.388 -11.658 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.077 -11.088 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.968 -10.550 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.106 -13.257 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.518 -12.214 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.533 -13.905 -0.519 1.00 0.00 H new ATOM 448 N GLN A 30 1.898 -10.561 3.370 1.00 0.00 N ATOM 449 CA GLN A 30 1.365 -9.965 4.580 1.00 0.00 C ATOM 450 C GLN A 30 0.285 -8.959 4.204 1.00 0.00 C ATOM 451 O GLN A 30 0.139 -8.578 3.036 1.00 0.00 O ATOM 452 CB GLN A 30 2.493 -9.262 5.366 1.00 0.00 C ATOM 453 CG GLN A 30 3.592 -10.220 5.874 1.00 0.00 C ATOM 454 CD GLN A 30 3.073 -11.217 6.920 1.00 0.00 C ATOM 455 OE1 GLN A 30 1.926 -11.151 7.363 1.00 0.00 O ATOM 456 NE2 GLN A 30 3.874 -12.168 7.366 1.00 0.00 N ATOM 0 H GLN A 30 2.309 -9.868 2.744 1.00 0.00 H new ATOM 0 HA GLN A 30 0.936 -10.743 5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.950 -8.506 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.058 -8.740 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.008 -10.770 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.405 -9.637 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.828 -12.239 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.539 -12.831 8.065 1.00 0.00 H new ATOM 465 N GLY A 31 -0.430 -8.481 5.220 1.00 0.00 N ATOM 466 CA GLY A 31 -1.420 -7.438 5.048 1.00 0.00 C ATOM 467 C GLY A 31 -2.779 -8.033 4.702 1.00 0.00 C ATOM 468 O GLY A 31 -2.997 -9.225 4.936 1.00 0.00 O ATOM 0 H GLY A 31 -0.335 -8.810 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.498 -6.850 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.104 -6.757 4.257 1.00 0.00 H new ATOM 472 N PRO A 32 -3.698 -7.238 4.146 1.00 0.00 N ATOM 473 CA PRO A 32 -3.421 -5.940 3.556 1.00 0.00 C ATOM 474 C PRO A 32 -3.223 -4.846 4.609 1.00 0.00 C ATOM 475 O PRO A 32 -3.421 -5.041 5.811 1.00 0.00 O ATOM 476 CB PRO A 32 -4.607 -5.689 2.628 1.00 0.00 C ATOM 477 CG PRO A 32 -5.762 -6.381 3.344 1.00 0.00 C ATOM 478 CD PRO A 32 -5.074 -7.627 3.895 1.00 0.00 C ATOM 0 HA PRO A 32 -2.478 -5.923 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.796 -4.624 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.438 -6.109 1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.184 -5.762 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.577 -6.629 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.557 -7.969 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.124 -8.450 3.182 1.00 0.00 H new ATOM 486 N PHE A 33 -2.782 -3.691 4.129 1.00 0.00 N ATOM 487 CA PHE A 33 -2.359 -2.543 4.903 1.00 0.00 C ATOM 488 C PHE A 33 -2.864 -1.279 4.220 1.00 0.00 C ATOM 489 O PHE A 33 -3.197 -1.293 3.030 1.00 0.00 O ATOM 490 CB PHE A 33 -0.822 -2.538 4.954 1.00 0.00 C ATOM 491 CG PHE A 33 -0.215 -3.745 5.646 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.390 -3.882 7.032 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.538 -4.709 4.943 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.222 -4.947 7.720 1.00 0.00 C ATOM 495 CE2 PHE A 33 1.132 -5.775 5.635 1.00 0.00 C ATOM 496 CZ PHE A 33 0.994 -5.888 7.025 1.00 0.00 C ATOM 0 H PHE A 33 -2.707 -3.526 3.125 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.760 -2.586 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.437 -2.486 3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.490 -1.635 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.995 -3.169 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.657 -4.626 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.096 -5.039 8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.701 -6.515 5.092 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.479 -6.694 7.556 1.00 0.00 H new ATOM 506 N SER A 34 -2.927 -0.181 4.965 1.00 0.00 N ATOM 507 CA SER A 34 -3.151 1.139 4.395 1.00 0.00 C ATOM 508 C SER A 34 -1.828 1.768 3.958 1.00 0.00 C ATOM 509 O SER A 34 -0.773 1.503 4.544 1.00 0.00 O ATOM 510 CB SER A 34 -3.905 2.025 5.389 1.00 0.00 C ATOM 511 OG SER A 34 -3.194 2.227 6.596 1.00 0.00 O ATOM 0 H SER A 34 -2.824 -0.183 5.980 1.00 0.00 H new ATOM 0 HA SER A 34 -3.772 1.041 3.504 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.107 2.991 4.926 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.870 1.571 5.613 1.00 0.00 H new ATOM 0 HG SER A 34 -3.276 1.431 7.161 1.00 0.00 H new ATOM 517 N LEU A 35 -1.877 2.670 2.973 1.00 0.00 N ATOM 518 CA LEU A 35 -0.672 3.352 2.506 1.00 0.00 C ATOM 519 C LEU A 35 -0.022 4.221 3.582 1.00 0.00 C ATOM 520 O LEU A 35 1.180 4.470 3.501 1.00 0.00 O ATOM 521 CB LEU A 35 -0.956 4.192 1.251 1.00 0.00 C ATOM 522 CG LEU A 35 -1.266 3.332 0.018 1.00 0.00 C ATOM 523 CD1 LEU A 35 -1.738 4.231 -1.126 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.055 2.487 -0.403 1.00 0.00 C ATOM 0 H LEU A 35 -2.732 2.942 2.488 1.00 0.00 H new ATOM 0 HA LEU A 35 0.038 2.564 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.798 4.856 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.094 4.825 1.040 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.063 2.634 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.958 3.620 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.638 4.766 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.955 4.949 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.313 1.892 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.781 3.144 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.228 1.825 0.415 1.00 0.00 H new ATOM 536 N THR A 36 -0.762 4.692 4.586 1.00 0.00 N ATOM 537 CA THR A 36 -0.174 5.512 5.643 1.00 0.00 C ATOM 538 C THR A 36 0.616 4.644 6.626 1.00 0.00 C ATOM 539 O THR A 36 1.694 5.053 7.057 1.00 0.00 O ATOM 540 CB THR A 36 -1.277 6.302 6.347 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.092 6.914 5.368 1.00 0.00 O ATOM 542 CG2 THR A 36 -0.705 7.418 7.217 1.00 0.00 C ATOM 0 H THR A 36 -1.762 4.521 4.689 1.00 0.00 H new ATOM 0 HA THR A 36 0.530 6.219 5.204 1.00 0.00 H new ATOM 0 HB THR A 36 -1.835 5.607 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.862 6.339 5.177 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.520 7.956 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.052 6.989 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.133 8.107 6.595 1.00 0.00 H new ATOM 550 N GLN A 37 0.132 3.430 6.923 1.00 0.00 N ATOM 551 CA GLN A 37 0.901 2.453 7.686 1.00 0.00 C ATOM 552 C GLN A 37 2.219 2.183 6.959 1.00 0.00 C ATOM 553 O GLN A 37 3.295 2.286 7.541 1.00 0.00 O ATOM 554 CB GLN A 37 0.102 1.151 7.857 1.00 0.00 C ATOM 555 CG GLN A 37 -0.977 1.230 8.942 1.00 0.00 C ATOM 556 CD GLN A 37 -1.936 0.052 8.796 1.00 0.00 C ATOM 557 OE1 GLN A 37 -2.627 -0.044 7.784 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.030 -0.839 9.761 1.00 0.00 N ATOM 0 H GLN A 37 -0.793 3.106 6.642 1.00 0.00 H new ATOM 0 HA GLN A 37 1.108 2.849 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.368 0.896 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.790 0.342 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.516 1.216 9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.523 2.169 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.451 -0.749 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.681 -1.619 9.673 1.00 0.00 H new ATOM 567 N LEU A 38 2.133 1.897 5.658 1.00 0.00 N ATOM 568 CA LEU A 38 3.297 1.586 4.840 1.00 0.00 C ATOM 569 C LEU A 38 4.279 2.767 4.782 1.00 0.00 C ATOM 570 O LEU A 38 5.488 2.534 4.794 1.00 0.00 O ATOM 571 CB LEU A 38 2.834 1.136 3.445 1.00 0.00 C ATOM 572 CG LEU A 38 2.052 -0.197 3.452 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.217 -0.344 2.177 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.980 -1.408 3.567 1.00 0.00 C ATOM 0 H LEU A 38 1.251 1.876 5.146 1.00 0.00 H new ATOM 0 HA LEU A 38 3.848 0.764 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.205 1.914 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.705 1.033 2.798 1.00 0.00 H new ATOM 0 HG LEU A 38 1.401 -0.168 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.675 -1.289 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.506 0.480 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.874 -0.327 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.387 -2.322 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.667 -1.422 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.549 -1.344 4.495 1.00 0.00 H new ATOM 586 N LYS A 39 3.802 4.023 4.765 1.00 0.00 N ATOM 587 CA LYS A 39 4.671 5.195 4.923 1.00 0.00 C ATOM 588 C LYS A 39 5.379 5.149 6.266 1.00 0.00 C ATOM 589 O LYS A 39 6.597 5.300 6.280 1.00 0.00 O ATOM 590 CB LYS A 39 3.902 6.524 4.768 1.00 0.00 C ATOM 591 CG LYS A 39 4.752 7.784 5.057 1.00 0.00 C ATOM 592 CD LYS A 39 5.822 8.075 3.998 1.00 0.00 C ATOM 593 CE LYS A 39 6.548 9.416 4.213 1.00 0.00 C ATOM 594 NZ LYS A 39 7.649 9.361 5.198 1.00 0.00 N ATOM 0 H LYS A 39 2.815 4.250 4.643 1.00 0.00 H new ATOM 0 HA LYS A 39 5.410 5.157 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.510 6.588 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.044 6.515 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.089 8.646 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.238 7.667 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.555 7.269 4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.356 8.077 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.948 9.757 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.822 10.161 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.085 10.301 5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.274 9.067 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.364 8.676 4.881 1.00 0.00 H new ATOM 608 N ALA A 40 4.647 5.006 7.372 1.00 0.00 N ATOM 609 CA ALA A 40 5.237 5.078 8.703 1.00 0.00 C ATOM 610 C ALA A 40 6.309 4.009 8.894 1.00 0.00 C ATOM 611 O ALA A 40 7.353 4.279 9.483 1.00 0.00 O ATOM 612 CB ALA A 40 4.150 4.937 9.764 1.00 0.00 C ATOM 0 H ALA A 40 3.641 4.839 7.368 1.00 0.00 H new ATOM 0 HA ALA A 40 5.716 6.051 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.600 4.992 10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.424 5.742 9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.649 3.976 9.646 1.00 0.00 H new ATOM 618 N TRP A 41 6.069 2.803 8.388 1.00 0.00 N ATOM 619 CA TRP A 41 7.039 1.728 8.442 1.00 0.00 C ATOM 620 C TRP A 41 8.252 2.047 7.573 1.00 0.00 C ATOM 621 O TRP A 41 9.381 1.827 8.001 1.00 0.00 O ATOM 622 CB TRP A 41 6.335 0.432 8.047 1.00 0.00 C ATOM 623 CG TRP A 41 5.312 -0.034 9.034 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.406 0.061 10.380 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.038 -0.684 8.775 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.260 -0.428 10.963 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.359 -0.858 10.016 1.00 0.00 C ATOM 628 CE3 TRP A 41 3.408 -1.174 7.616 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.080 -1.417 10.090 1.00 0.00 C ATOM 630 CZ3 TRP A 41 2.158 -1.813 7.688 1.00 0.00 C ATOM 631 CH2 TRP A 41 1.490 -1.923 8.925 1.00 0.00 C ATOM 0 H TRP A 41 5.194 2.549 7.930 1.00 0.00 H new ATOM 0 HA TRP A 41 7.431 1.609 9.452 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.853 0.574 7.080 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.083 -0.350 7.919 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.254 0.461 10.917 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.099 -0.467 11.969 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.892 -1.057 6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.554 -1.458 11.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.709 -2.220 6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.521 -2.398 8.974 1.00 0.00 H new ATOM 642 N SER A 42 8.061 2.612 6.379 1.00 0.00 N ATOM 643 CA SER A 42 9.180 3.023 5.545 1.00 0.00 C ATOM 644 C SER A 42 9.986 4.149 6.222 1.00 0.00 C ATOM 645 O SER A 42 11.215 4.161 6.149 1.00 0.00 O ATOM 646 CB SER A 42 8.645 3.416 4.162 1.00 0.00 C ATOM 647 OG SER A 42 9.681 3.550 3.205 1.00 0.00 O ATOM 0 H SER A 42 7.143 2.793 5.973 1.00 0.00 H new ATOM 0 HA SER A 42 9.878 2.196 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.934 2.663 3.822 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.100 4.357 4.239 1.00 0.00 H new ATOM 0 HG SER A 42 9.296 3.799 2.339 1.00 0.00 H new ATOM 653 N ASP A 43 9.316 5.081 6.901 1.00 0.00 N ATOM 654 CA ASP A 43 9.904 6.177 7.676 1.00 0.00 C ATOM 655 C ASP A 43 10.696 5.643 8.875 1.00 0.00 C ATOM 656 O ASP A 43 11.696 6.232 9.277 1.00 0.00 O ATOM 657 CB ASP A 43 8.763 7.099 8.126 1.00 0.00 C ATOM 658 CG ASP A 43 9.209 8.339 8.898 1.00 0.00 C ATOM 659 OD1 ASP A 43 9.648 8.244 10.065 1.00 0.00 O ATOM 660 OD2 ASP A 43 8.911 9.457 8.422 1.00 0.00 O ATOM 0 H ASP A 43 8.296 5.093 6.927 1.00 0.00 H new ATOM 0 HA ASP A 43 10.611 6.734 7.061 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.204 7.417 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.077 6.527 8.750 1.00 0.00 H new ATOM 665 N ALA A 44 10.294 4.488 9.409 1.00 0.00 N ATOM 666 CA ALA A 44 10.997 3.734 10.437 1.00 0.00 C ATOM 667 C ALA A 44 11.986 2.715 9.852 1.00 0.00 C ATOM 668 O ALA A 44 12.499 1.865 10.582 1.00 0.00 O ATOM 669 CB ALA A 44 9.963 3.070 11.346 1.00 0.00 C ATOM 0 H ALA A 44 9.427 4.035 9.119 1.00 0.00 H new ATOM 0 HA ALA A 44 11.608 4.422 11.021 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.474 2.500 12.123 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.340 3.836 11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.337 2.400 10.757 1.00 0.00 H new ATOM 675 N GLU A 45 12.267 2.783 8.548 1.00 0.00 N ATOM 676 CA GLU A 45 13.170 1.901 7.814 1.00 0.00 C ATOM 677 C GLU A 45 12.866 0.403 8.000 1.00 0.00 C ATOM 678 O GLU A 45 13.771 -0.425 7.886 1.00 0.00 O ATOM 679 CB GLU A 45 14.644 2.251 8.096 1.00 0.00 C ATOM 680 CG GLU A 45 15.040 3.691 7.735 1.00 0.00 C ATOM 681 CD GLU A 45 16.540 3.819 7.442 1.00 0.00 C ATOM 682 OE1 GLU A 45 17.376 3.269 8.194 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.898 4.456 6.420 1.00 0.00 O ATOM 0 H GLU A 45 11.848 3.493 7.947 1.00 0.00 H new ATOM 0 HA GLU A 45 12.985 2.087 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.847 2.087 9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.280 1.563 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.472 4.015 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.773 4.357 8.556 1.00 0.00 H new ATOM 690 N TYR A 46 11.598 0.027 8.208 1.00 0.00 N ATOM 691 CA TYR A 46 11.180 -1.376 8.148 1.00 0.00 C ATOM 692 C TYR A 46 11.528 -1.981 6.783 1.00 0.00 C ATOM 693 O TYR A 46 11.762 -3.184 6.683 1.00 0.00 O ATOM 694 CB TYR A 46 9.671 -1.531 8.331 1.00 0.00 C ATOM 695 CG TYR A 46 9.206 -1.581 9.768 1.00 0.00 C ATOM 696 CD1 TYR A 46 9.224 -0.421 10.557 1.00 0.00 C ATOM 697 CD2 TYR A 46 8.776 -2.798 10.326 1.00 0.00 C ATOM 698 CE1 TYR A 46 8.796 -0.461 11.892 1.00 0.00 C ATOM 699 CE2 TYR A 46 8.333 -2.842 11.658 1.00 0.00 C ATOM 700 CZ TYR A 46 8.339 -1.675 12.450 1.00 0.00 C ATOM 701 OH TYR A 46 7.892 -1.729 13.735 1.00 0.00 O ATOM 0 H TYR A 46 10.843 0.679 8.420 1.00 0.00 H new ATOM 0 HA TYR A 46 11.706 -1.886 8.955 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.172 -0.701 7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.351 -2.444 7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.570 0.510 10.133 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.786 -3.699 9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.816 0.436 12.493 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.986 -3.774 12.078 1.00 0.00 H new ATOM 0 HH TYR A 46 7.617 -2.645 13.947 1.00 0.00 H new ATOM 711 N PHE A 47 11.504 -1.163 5.730 1.00 0.00 N ATOM 712 CA PHE A 47 11.437 -1.597 4.346 1.00 0.00 C ATOM 713 C PHE A 47 12.605 -1.018 3.556 1.00 0.00 C ATOM 714 O PHE A 47 13.273 -0.079 3.997 1.00 0.00 O ATOM 715 CB PHE A 47 10.090 -1.141 3.761 1.00 0.00 C ATOM 716 CG PHE A 47 8.835 -1.612 4.483 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.777 -2.866 5.131 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.693 -0.790 4.481 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.599 -3.284 5.773 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.514 -1.214 5.112 1.00 0.00 C ATOM 721 CZ PHE A 47 6.463 -2.460 5.765 1.00 0.00 C ATOM 0 H PHE A 47 11.532 -0.148 5.827 1.00 0.00 H new ATOM 0 HA PHE A 47 11.508 -2.683 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.081 -0.051 3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.036 -1.482 2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.645 -3.509 5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.724 0.172 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.568 -4.241 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.640 -0.580 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.556 -2.780 6.256 1.00 0.00 H new ATOM 731 N THR A 48 12.816 -1.540 2.357 1.00 0.00 N ATOM 732 CA THR A 48 13.997 -1.314 1.543 1.00 0.00 C ATOM 733 C THR A 48 13.649 -0.419 0.345 1.00 0.00 C ATOM 734 O THR A 48 12.480 -0.094 0.112 1.00 0.00 O ATOM 735 CB THR A 48 14.500 -2.704 1.123 1.00 0.00 C ATOM 736 OG1 THR A 48 13.444 -3.382 0.465 1.00 0.00 O ATOM 737 CG2 THR A 48 14.966 -3.537 2.321 1.00 0.00 C ATOM 0 H THR A 48 12.140 -2.158 1.908 1.00 0.00 H new ATOM 0 HA THR A 48 14.782 -0.788 2.086 1.00 0.00 H new ATOM 0 HB THR A 48 15.358 -2.573 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.749 -4.271 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.312 -4.511 1.974 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.782 -3.021 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.136 -3.673 3.015 1.00 0.00 H new ATOM 745 N LYS A 49 14.648 -0.021 -0.450 1.00 0.00 N ATOM 746 CA LYS A 49 14.473 0.784 -1.665 1.00 0.00 C ATOM 747 C LYS A 49 13.759 0.038 -2.806 1.00 0.00 C ATOM 748 O LYS A 49 13.499 0.661 -3.838 1.00 0.00 O ATOM 749 CB LYS A 49 15.855 1.314 -2.122 1.00 0.00 C ATOM 750 CG LYS A 49 16.018 2.840 -1.996 1.00 0.00 C ATOM 751 CD LYS A 49 15.911 3.362 -0.559 1.00 0.00 C ATOM 752 CE LYS A 49 16.276 4.849 -0.438 1.00 0.00 C ATOM 753 NZ LYS A 49 16.139 5.328 0.955 1.00 0.00 N ATOM 0 H LYS A 49 15.623 -0.255 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 49 13.814 1.615 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.632 0.827 -1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.016 1.027 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.987 3.126 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 49 15.258 3.328 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.894 3.212 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.568 2.778 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.300 5.002 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.632 5.437 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.393 6.335 1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.156 5.204 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.772 4.782 1.574 1.00 0.00 H new ATOM 767 N GLN A 50 13.454 -1.258 -2.669 1.00 0.00 N ATOM 768 CA GLN A 50 12.825 -2.101 -3.692 1.00 0.00 C ATOM 769 C GLN A 50 11.534 -2.746 -3.159 1.00 0.00 C ATOM 770 O GLN A 50 11.223 -3.893 -3.506 1.00 0.00 O ATOM 771 CB GLN A 50 13.784 -3.223 -4.111 1.00 0.00 C ATOM 772 CG GLN A 50 15.128 -2.864 -4.744 1.00 0.00 C ATOM 773 CD GLN A 50 15.936 -4.143 -5.002 1.00 0.00 C ATOM 774 OE1 GLN A 50 15.574 -5.247 -4.579 1.00 0.00 O ATOM 775 NE2 GLN A 50 17.036 -4.029 -5.712 1.00 0.00 N ATOM 0 H GLN A 50 13.647 -1.768 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 50 12.588 -1.464 -4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.990 -3.825 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.251 -3.863 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 50 14.969 -2.328 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.685 -2.197 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.328 -3.115 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.598 -4.855 -5.918 1.00 0.00 H new ATOM 784 N PHE A 51 10.819 -2.085 -2.256 1.00 0.00 N ATOM 785 CA PHE A 51 9.675 -2.676 -1.581 1.00 0.00 C ATOM 786 C PHE A 51 8.427 -2.476 -2.442 1.00 0.00 C ATOM 787 O PHE A 51 7.911 -1.359 -2.521 1.00 0.00 O ATOM 788 CB PHE A 51 9.551 -2.034 -0.198 1.00 0.00 C ATOM 789 CG PHE A 51 8.591 -2.761 0.711 1.00 0.00 C ATOM 790 CD1 PHE A 51 7.221 -2.443 0.691 1.00 0.00 C ATOM 791 CD2 PHE A 51 9.073 -3.743 1.596 1.00 0.00 C ATOM 792 CE1 PHE A 51 6.344 -3.058 1.597 1.00 0.00 C ATOM 793 CE2 PHE A 51 8.191 -4.369 2.489 1.00 0.00 C ATOM 794 CZ PHE A 51 6.841 -3.999 2.513 1.00 0.00 C ATOM 0 H PHE A 51 11.018 -1.125 -1.973 1.00 0.00 H new ATOM 0 HA PHE A 51 9.799 -3.750 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.534 -2.005 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.222 -1.001 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.844 -1.725 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.118 -4.014 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.293 -2.809 1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.553 -5.136 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.177 -4.441 3.241 1.00 0.00 H new ATOM 804 N ARG A 52 7.944 -3.502 -3.152 1.00 0.00 N ATOM 805 CA ARG A 52 6.702 -3.377 -3.905 1.00 0.00 C ATOM 806 C ARG A 52 5.477 -3.689 -3.049 1.00 0.00 C ATOM 807 O ARG A 52 5.574 -4.399 -2.047 1.00 0.00 O ATOM 808 CB ARG A 52 6.739 -4.274 -5.144 1.00 0.00 C ATOM 809 CG ARG A 52 7.717 -3.770 -6.206 1.00 0.00 C ATOM 810 CD ARG A 52 9.189 -4.092 -5.952 1.00 0.00 C ATOM 811 NE ARG A 52 9.954 -3.989 -7.202 1.00 0.00 N ATOM 812 CZ ARG A 52 10.444 -4.992 -7.934 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.332 -6.271 -7.579 1.00 0.00 N ATOM 814 NH2 ARG A 52 11.074 -4.702 -9.056 1.00 0.00 N ATOM 0 H ARG A 52 8.392 -4.416 -3.218 1.00 0.00 H new ATOM 0 HA ARG A 52 6.615 -2.338 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.019 -5.285 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.740 -4.334 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.431 -4.195 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.609 -2.689 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.596 -3.405 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.283 -5.097 -5.541 1.00 0.00 H new ATOM 0 HE ARG A 52 10.130 -3.046 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.854 -6.520 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.724 -7.001 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.177 -3.730 -9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.458 -5.450 -9.633 1.00 0.00 H new ATOM 828 N VAL A 53 4.323 -3.199 -3.496 1.00 0.00 N ATOM 829 CA VAL A 53 3.002 -3.409 -2.926 1.00 0.00 C ATOM 830 C VAL A 53 2.007 -3.594 -4.074 1.00 0.00 C ATOM 831 O VAL A 53 2.238 -3.095 -5.179 1.00 0.00 O ATOM 832 CB VAL A 53 2.607 -2.215 -2.025 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.446 -2.186 -0.744 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.727 -0.843 -2.718 1.00 0.00 C ATOM 0 H VAL A 53 4.288 -2.604 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 53 2.999 -4.300 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 53 1.555 -2.379 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.145 -1.336 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.290 -3.109 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.501 -2.092 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.433 -0.057 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.759 -0.683 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.074 -0.818 -3.591 1.00 0.00 H new ATOM 844 N TRP A 54 0.898 -4.286 -3.825 1.00 0.00 N ATOM 845 CA TRP A 54 -0.184 -4.462 -4.789 1.00 0.00 C ATOM 846 C TRP A 54 -1.516 -4.401 -4.052 1.00 0.00 C ATOM 847 O TRP A 54 -1.559 -4.661 -2.848 1.00 0.00 O ATOM 848 CB TRP A 54 -0.004 -5.791 -5.537 1.00 0.00 C ATOM 849 CG TRP A 54 0.042 -7.055 -4.733 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.989 -7.918 -4.625 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.145 -7.647 -3.975 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.610 -8.996 -3.852 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.700 -8.889 -3.435 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.481 -7.280 -3.697 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.538 -9.712 -2.668 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.339 -8.113 -2.955 1.00 0.00 C ATOM 857 CH2 TRP A 54 2.867 -9.335 -2.442 1.00 0.00 C ATOM 0 H TRP A 54 0.723 -4.748 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.166 -3.665 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.819 -5.882 -6.255 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.920 -5.728 -6.111 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.962 -7.785 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.224 -9.776 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.854 -6.335 -4.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.159 -10.634 -2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.362 -7.814 -2.779 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.526 -9.978 -1.877 1.00 0.00 H new ATOM 868 N MET A 55 -2.596 -4.055 -4.751 1.00 0.00 N ATOM 869 CA MET A 55 -3.927 -4.055 -4.156 1.00 0.00 C ATOM 870 C MET A 55 -4.399 -5.499 -3.969 1.00 0.00 C ATOM 871 O MET A 55 -3.958 -6.401 -4.690 1.00 0.00 O ATOM 872 CB MET A 55 -4.928 -3.280 -5.029 1.00 0.00 C ATOM 873 CG MET A 55 -4.632 -1.782 -5.109 1.00 0.00 C ATOM 874 SD MET A 55 -5.915 -0.877 -6.025 1.00 0.00 S ATOM 875 CE MET A 55 -4.952 0.567 -6.536 1.00 0.00 C ATOM 0 H MET A 55 -2.573 -3.771 -5.730 1.00 0.00 H new ATOM 0 HA MET A 55 -3.874 -3.557 -3.188 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.921 -3.698 -6.035 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.933 -3.423 -4.631 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.552 -1.375 -4.101 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.667 -1.629 -5.592 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.451 1.060 -7.370 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.868 1.262 -5.701 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.956 0.249 -6.845 1.00 0.00 H new ATOM 885 N THR A 56 -5.342 -5.740 -3.056 1.00 0.00 N ATOM 886 CA THR A 56 -5.993 -7.027 -2.973 1.00 0.00 C ATOM 887 C THR A 56 -6.728 -7.291 -4.296 1.00 0.00 C ATOM 888 O THR A 56 -7.187 -6.359 -4.965 1.00 0.00 O ATOM 889 CB THR A 56 -6.921 -7.074 -1.753 1.00 0.00 C ATOM 890 OG1 THR A 56 -8.089 -6.293 -1.924 1.00 0.00 O ATOM 891 CG2 THR A 56 -6.297 -6.694 -0.414 1.00 0.00 C ATOM 0 H THR A 56 -5.664 -5.056 -2.371 1.00 0.00 H new ATOM 0 HA THR A 56 -5.262 -7.823 -2.831 1.00 0.00 H new ATOM 0 HB THR A 56 -7.162 -8.136 -1.704 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.855 -5.342 -1.885 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.050 -6.765 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.474 -7.373 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.921 -5.672 -0.465 1.00 0.00 H new ATOM 899 N GLY A 57 -6.872 -8.557 -4.684 1.00 0.00 N ATOM 900 CA GLY A 57 -7.449 -8.921 -5.972 1.00 0.00 C ATOM 901 C GLY A 57 -6.409 -8.909 -7.094 1.00 0.00 C ATOM 902 O GLY A 57 -6.558 -9.666 -8.052 1.00 0.00 O ATOM 0 H GLY A 57 -6.592 -9.356 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.894 -9.914 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.254 -8.228 -6.217 1.00 0.00 H new ATOM 906 N GLU A 58 -5.350 -8.103 -6.998 1.00 0.00 N ATOM 907 CA GLU A 58 -4.340 -7.993 -8.043 1.00 0.00 C ATOM 908 C GLU A 58 -3.164 -8.931 -7.768 1.00 0.00 C ATOM 909 O GLU A 58 -3.067 -9.542 -6.699 1.00 0.00 O ATOM 910 CB GLU A 58 -3.891 -6.531 -8.177 1.00 0.00 C ATOM 911 CG GLU A 58 -5.040 -5.587 -8.566 1.00 0.00 C ATOM 912 CD GLU A 58 -5.668 -5.858 -9.943 1.00 0.00 C ATOM 913 OE1 GLU A 58 -5.142 -6.682 -10.729 1.00 0.00 O ATOM 914 OE2 GLU A 58 -6.677 -5.195 -10.270 1.00 0.00 O ATOM 0 H GLU A 58 -5.171 -7.508 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.773 -8.303 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.460 -6.200 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.103 -6.465 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.820 -5.657 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.670 -4.562 -8.548 1.00 0.00 H new ATOM 921 N SER A 59 -2.279 -9.080 -8.753 1.00 0.00 N ATOM 922 CA SER A 59 -1.169 -10.012 -8.718 1.00 0.00 C ATOM 923 C SER A 59 0.092 -9.320 -8.204 1.00 0.00 C ATOM 924 O SER A 59 0.252 -8.098 -8.267 1.00 0.00 O ATOM 925 CB SER A 59 -0.957 -10.626 -10.109 1.00 0.00 C ATOM 926 OG SER A 59 -1.298 -12.002 -10.101 1.00 0.00 O ATOM 0 H SER A 59 -2.321 -8.539 -9.616 1.00 0.00 H new ATOM 0 HA SER A 59 -1.400 -10.822 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.566 -10.098 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.083 -10.505 -10.412 1.00 0.00 H new ATOM 0 HG SER A 59 -1.159 -12.379 -10.995 1.00 0.00 H new ATOM 932 N MET A 60 1.018 -10.143 -7.717 1.00 0.00 N ATOM 933 CA MET A 60 2.295 -9.726 -7.168 1.00 0.00 C ATOM 934 C MET A 60 3.263 -9.309 -8.273 1.00 0.00 C ATOM 935 O MET A 60 4.073 -8.403 -8.086 1.00 0.00 O ATOM 936 CB MET A 60 2.883 -10.904 -6.392 1.00 0.00 C ATOM 937 CG MET A 60 4.082 -10.454 -5.558 1.00 0.00 C ATOM 938 SD MET A 60 4.944 -11.774 -4.650 1.00 0.00 S ATOM 939 CE MET A 60 3.539 -12.629 -3.886 1.00 0.00 C ATOM 0 H MET A 60 0.890 -11.155 -7.696 1.00 0.00 H new ATOM 0 HA MET A 60 2.143 -8.865 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.122 -11.334 -5.741 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.189 -11.687 -7.086 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.798 -9.964 -6.218 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.744 -9.705 -4.842 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.823 -12.980 -2.894 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.697 -11.942 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.252 -13.480 -4.503 1.00 0.00 H new ATOM 949 N GLU A 61 3.197 -9.955 -9.434 1.00 0.00 N ATOM 950 CA GLU A 61 3.970 -9.542 -10.602 1.00 0.00 C ATOM 951 C GLU A 61 3.563 -8.130 -11.039 1.00 0.00 C ATOM 952 O GLU A 61 4.432 -7.307 -11.348 1.00 0.00 O ATOM 953 CB GLU A 61 3.798 -10.560 -11.734 1.00 0.00 C ATOM 954 CG GLU A 61 4.643 -11.810 -11.468 1.00 0.00 C ATOM 955 CD GLU A 61 4.757 -12.681 -12.715 1.00 0.00 C ATOM 956 OE1 GLU A 61 5.401 -12.232 -13.689 1.00 0.00 O ATOM 957 OE2 GLU A 61 4.292 -13.847 -12.709 1.00 0.00 O ATOM 0 H GLU A 61 2.610 -10.774 -9.592 1.00 0.00 H new ATOM 0 HA GLU A 61 5.028 -9.511 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.748 -10.837 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.092 -10.111 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.638 -11.514 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.196 -12.387 -10.659 1.00 0.00 H new ATOM 964 N SER A 62 2.268 -7.829 -10.964 1.00 0.00 N ATOM 965 CA SER A 62 1.661 -6.530 -11.214 1.00 0.00 C ATOM 966 C SER A 62 1.944 -5.520 -10.085 1.00 0.00 C ATOM 967 O SER A 62 1.527 -4.369 -10.196 1.00 0.00 O ATOM 968 CB SER A 62 0.160 -6.799 -11.433 1.00 0.00 C ATOM 969 OG SER A 62 -0.607 -5.709 -11.906 1.00 0.00 O ATOM 0 H SER A 62 1.574 -8.532 -10.711 1.00 0.00 H new ATOM 0 HA SER A 62 2.093 -6.054 -12.095 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.059 -7.622 -12.141 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.269 -7.136 -10.489 1.00 0.00 H new ATOM 0 HG SER A 62 -0.238 -4.872 -11.554 1.00 0.00 H new ATOM 975 N ALA A 63 2.619 -5.903 -8.991 1.00 0.00 N ATOM 976 CA ALA A 63 2.890 -4.997 -7.878 1.00 0.00 C ATOM 977 C ALA A 63 3.747 -3.815 -8.330 1.00 0.00 C ATOM 978 O ALA A 63 4.669 -3.986 -9.137 1.00 0.00 O ATOM 979 CB ALA A 63 3.585 -5.753 -6.738 1.00 0.00 C ATOM 0 H ALA A 63 2.988 -6.845 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 63 1.939 -4.607 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.782 -5.067 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.941 -6.561 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.527 -6.168 -7.098 1.00 0.00 H new ATOM 985 N VAL A 64 3.484 -2.643 -7.763 1.00 0.00 N ATOM 986 CA VAL A 64 4.162 -1.380 -8.033 1.00 0.00 C ATOM 987 C VAL A 64 5.053 -1.035 -6.840 1.00 0.00 C ATOM 988 O VAL A 64 4.961 -1.669 -5.789 1.00 0.00 O ATOM 989 CB VAL A 64 3.120 -0.285 -8.340 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.398 -0.580 -9.659 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.070 -0.119 -7.231 1.00 0.00 C ATOM 0 H VAL A 64 2.750 -2.543 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 64 4.801 -1.460 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 64 3.682 0.646 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.667 0.204 -9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.124 -0.613 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.889 -1.541 -9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.368 0.667 -7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.531 -1.057 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.565 0.151 -6.298 1.00 0.00 H new ATOM 1001 N LEU A 65 5.963 -0.069 -6.972 1.00 0.00 N ATOM 1002 CA LEU A 65 6.880 0.273 -5.900 1.00 0.00 C ATOM 1003 C LEU A 65 6.149 1.110 -4.867 1.00 0.00 C ATOM 1004 O LEU A 65 5.509 2.107 -5.197 1.00 0.00 O ATOM 1005 CB LEU A 65 8.089 1.042 -6.446 1.00 0.00 C ATOM 1006 CG LEU A 65 9.147 0.106 -7.048 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.149 0.934 -7.845 1.00 0.00 C ATOM 1008 CD2 LEU A 65 9.910 -0.671 -5.966 1.00 0.00 C ATOM 0 H LEU A 65 6.080 0.489 -7.818 1.00 0.00 H new ATOM 0 HA LEU A 65 7.244 -0.644 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.755 1.748 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.538 1.627 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 65 8.631 -0.612 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.904 0.276 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.630 1.463 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.631 1.656 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.648 -1.321 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.415 0.031 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.209 -1.276 -5.390 1.00 0.00 H new ATOM 1020 N LEU A 66 6.327 0.765 -3.595 1.00 0.00 N ATOM 1021 CA LEU A 66 5.831 1.564 -2.480 1.00 0.00 C ATOM 1022 C LEU A 66 6.407 2.976 -2.530 1.00 0.00 C ATOM 1023 O LEU A 66 5.707 3.904 -2.152 1.00 0.00 O ATOM 1024 CB LEU A 66 6.167 0.882 -1.142 1.00 0.00 C ATOM 1025 CG LEU A 66 5.778 1.689 0.115 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.282 2.024 0.174 1.00 0.00 C ATOM 1027 CD2 LEU A 66 6.179 0.912 1.373 1.00 0.00 C ATOM 0 H LEU A 66 6.821 -0.080 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 66 4.747 1.640 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.663 -0.084 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.238 0.683 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 66 6.316 2.635 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.072 2.592 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.007 2.618 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.702 1.101 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.903 1.485 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.664 -0.048 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.256 0.746 1.370 1.00 0.00 H new ATOM 1039 N THR A 67 7.643 3.172 -2.998 1.00 0.00 N ATOM 1040 CA THR A 67 8.234 4.506 -3.106 1.00 0.00 C ATOM 1041 C THR A 67 7.489 5.378 -4.129 1.00 0.00 C ATOM 1042 O THR A 67 7.328 6.582 -3.919 1.00 0.00 O ATOM 1043 CB THR A 67 9.736 4.393 -3.437 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.036 3.246 -4.224 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.557 4.275 -2.153 1.00 0.00 C ATOM 0 H THR A 67 8.256 2.418 -3.309 1.00 0.00 H new ATOM 0 HA THR A 67 8.132 5.005 -2.142 1.00 0.00 H new ATOM 0 HB THR A 67 9.988 5.295 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.998 3.219 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.615 4.196 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.395 5.158 -1.535 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.247 3.386 -1.603 1.00 0.00 H new ATOM 1053 N ASP A 68 6.986 4.768 -5.203 1.00 0.00 N ATOM 1054 CA ASP A 68 6.178 5.439 -6.217 1.00 0.00 C ATOM 1055 C ASP A 68 4.831 5.795 -5.615 1.00 0.00 C ATOM 1056 O ASP A 68 4.416 6.951 -5.628 1.00 0.00 O ATOM 1057 CB ASP A 68 5.965 4.526 -7.432 1.00 0.00 C ATOM 1058 CG ASP A 68 6.828 4.935 -8.614 1.00 0.00 C ATOM 1059 OD1 ASP A 68 8.053 5.127 -8.433 1.00 0.00 O ATOM 1060 OD2 ASP A 68 6.272 4.985 -9.733 1.00 0.00 O ATOM 0 H ASP A 68 7.132 3.777 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 68 6.697 6.339 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.194 3.497 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.915 4.552 -7.724 1.00 0.00 H new ATOM 1065 N VAL A 69 4.153 4.804 -5.040 1.00 0.00 N ATOM 1066 CA VAL A 69 2.841 4.996 -4.442 1.00 0.00 C ATOM 1067 C VAL A 69 2.917 5.999 -3.275 1.00 0.00 C ATOM 1068 O VAL A 69 1.962 6.733 -3.031 1.00 0.00 O ATOM 1069 CB VAL A 69 2.262 3.620 -4.069 1.00 0.00 C ATOM 1070 CG1 VAL A 69 0.887 3.778 -3.433 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.097 2.729 -5.312 1.00 0.00 C ATOM 0 H VAL A 69 4.501 3.847 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 69 2.148 5.448 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 69 2.961 3.158 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.491 2.796 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.971 4.384 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.214 4.267 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.686 1.764 -5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.420 3.211 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.068 2.580 -5.785 1.00 0.00 H new ATOM 1081 N LEU A 70 4.067 6.127 -2.607 1.00 0.00 N ATOM 1082 CA LEU A 70 4.342 7.164 -1.615 1.00 0.00 C ATOM 1083 C LEU A 70 4.248 8.566 -2.225 1.00 0.00 C ATOM 1084 O LEU A 70 3.756 9.478 -1.559 1.00 0.00 O ATOM 1085 CB LEU A 70 5.732 6.947 -0.991 1.00 0.00 C ATOM 1086 CG LEU A 70 5.819 6.620 0.507 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.627 5.869 1.094 1.00 0.00 C ATOM 1088 CD2 LEU A 70 7.081 5.795 0.749 1.00 0.00 C ATOM 0 H LEU A 70 4.853 5.493 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 70 3.584 7.089 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.217 6.137 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.320 7.848 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 70 5.832 7.584 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.796 5.692 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.723 6.464 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.510 4.914 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.160 5.553 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.030 4.873 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.955 6.369 0.442 1.00 0.00 H new ATOM 1100 N ARG A 71 4.722 8.765 -3.463 1.00 0.00 N ATOM 1101 CA ARG A 71 4.553 10.017 -4.193 1.00 0.00 C ATOM 1102 C ARG A 71 3.074 10.219 -4.516 1.00 0.00 C ATOM 1103 O ARG A 71 2.573 11.322 -4.295 1.00 0.00 O ATOM 1104 CB ARG A 71 5.501 10.071 -5.415 1.00 0.00 C ATOM 1105 CG ARG A 71 4.998 10.949 -6.573 1.00 0.00 C ATOM 1106 CD ARG A 71 6.126 11.322 -7.546 1.00 0.00 C ATOM 1107 NE ARG A 71 6.766 12.597 -7.180 1.00 0.00 N ATOM 1108 CZ ARG A 71 8.074 12.874 -7.128 1.00 0.00 C ATOM 1109 NH1 ARG A 71 9.007 11.974 -7.404 1.00 0.00 N ATOM 1110 NH2 ARG A 71 8.461 14.087 -6.772 1.00 0.00 N ATOM 0 H ARG A 71 5.236 8.054 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 71 4.848 10.867 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.473 10.443 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.655 9.057 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.213 10.420 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.551 11.858 -6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.874 10.530 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.725 11.394 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 71 6.136 13.361 -6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.739 11.026 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.993 12.229 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.766 14.797 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.455 14.313 -6.728 1.00 0.00 H new ATOM 1124 N LEU A 72 2.389 9.191 -5.021 1.00 0.00 N ATOM 1125 CA LEU A 72 1.001 9.298 -5.479 1.00 0.00 C ATOM 1126 C LEU A 72 0.069 9.614 -4.303 1.00 0.00 C ATOM 1127 O LEU A 72 -0.622 10.632 -4.312 1.00 0.00 O ATOM 1128 CB LEU A 72 0.575 8.026 -6.247 1.00 0.00 C ATOM 1129 CG LEU A 72 1.468 7.712 -7.470 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.118 6.352 -8.069 1.00 0.00 C ATOM 1131 CD2 LEU A 72 1.381 8.786 -8.561 1.00 0.00 C ATOM 0 H LEU A 72 2.783 8.256 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 72 0.924 10.129 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.596 7.176 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.456 8.142 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 72 2.493 7.697 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.761 6.156 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.267 5.575 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.076 6.353 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.029 8.512 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.352 8.865 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.700 9.745 -8.154 1.00 0.00 H new ATOM 1143 N SER A 73 0.120 8.838 -3.220 1.00 0.00 N ATOM 1144 CA SER A 73 -0.559 9.137 -1.962 1.00 0.00 C ATOM 1145 C SER A 73 0.265 10.151 -1.151 1.00 0.00 C ATOM 1146 O SER A 73 0.523 9.949 0.042 1.00 0.00 O ATOM 1147 CB SER A 73 -0.833 7.828 -1.210 1.00 0.00 C ATOM 1148 OG SER A 73 -1.642 8.038 -0.073 1.00 0.00 O ATOM 0 H SER A 73 0.647 7.965 -3.194 1.00 0.00 H new ATOM 0 HA SER A 73 -1.526 9.606 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.322 7.120 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.112 7.378 -0.906 1.00 0.00 H new ATOM 0 HG SER A 73 -1.227 8.713 0.503 1.00 0.00 H new ATOM 1154 N GLY A 74 0.712 11.240 -1.779 1.00 0.00 N ATOM 1155 CA GLY A 74 1.450 12.314 -1.141 1.00 0.00 C ATOM 1156 C GLY A 74 0.859 13.657 -1.551 1.00 0.00 C ATOM 1157 O GLY A 74 0.715 13.900 -2.753 1.00 0.00 O ATOM 0 H GLY A 74 0.562 11.397 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.409 12.203 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.501 12.266 -1.426 1.00 0.00 H new ATOM 1161 N PRO A 75 0.543 14.548 -0.592 1.00 0.00 N ATOM 1162 CA PRO A 75 0.207 15.927 -0.890 1.00 0.00 C ATOM 1163 C PRO A 75 1.440 16.606 -1.471 1.00 0.00 C ATOM 1164 O PRO A 75 2.398 16.908 -0.754 1.00 0.00 O ATOM 1165 CB PRO A 75 -0.263 16.556 0.424 1.00 0.00 C ATOM 1166 CG PRO A 75 0.419 15.709 1.493 1.00 0.00 C ATOM 1167 CD PRO A 75 0.548 14.331 0.848 1.00 0.00 C ATOM 0 HA PRO A 75 -0.588 16.029 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.031 17.603 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.348 16.523 0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.394 16.116 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.173 15.668 2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.468 13.839 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.277 13.684 1.146 1.00 0.00 H new ATOM 1175 N SER A 76 1.418 16.803 -2.782 1.00 0.00 N ATOM 1176 CA SER A 76 2.348 17.615 -3.527 1.00 0.00 C ATOM 1177 C SER A 76 1.526 18.116 -4.710 1.00 0.00 C ATOM 1178 O SER A 76 1.175 17.319 -5.582 1.00 0.00 O ATOM 1179 CB SER A 76 3.569 16.774 -3.939 1.00 0.00 C ATOM 1180 OG SER A 76 4.691 17.597 -4.196 1.00 0.00 O ATOM 0 H SER A 76 0.710 16.374 -3.379 1.00 0.00 H new ATOM 0 HA SER A 76 2.765 18.450 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.809 16.064 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.330 16.192 -4.829 1.00 0.00 H new ATOM 0 HG SER A 76 5.454 17.039 -4.454 1.00 0.00 H new ATOM 1186 N SER A 77 1.091 19.376 -4.674 1.00 0.00 N ATOM 1187 CA SER A 77 0.209 19.938 -5.696 1.00 0.00 C ATOM 1188 C SER A 77 0.970 20.275 -6.987 1.00 0.00 C ATOM 1189 O SER A 77 0.374 20.313 -8.065 1.00 0.00 O ATOM 1190 CB SER A 77 -0.479 21.192 -5.143 1.00 0.00 C ATOM 1191 OG SER A 77 -0.925 21.005 -3.803 1.00 0.00 O ATOM 0 H SER A 77 1.340 20.035 -3.936 1.00 0.00 H new ATOM 0 HA SER A 77 -0.539 19.187 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.213 22.033 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.328 21.449 -5.776 1.00 0.00 H new ATOM 0 HG SER A 77 -1.356 21.825 -3.484 1.00 0.00 H new ATOM 1197 N GLY A 78 2.276 20.498 -6.875 1.00 0.00 N ATOM 1198 CA GLY A 78 3.191 20.916 -7.915 1.00 0.00 C ATOM 1199 C GLY A 78 4.522 21.136 -7.229 1.00 0.00 C ATOM 1200 O GLY A 78 4.515 21.607 -6.068 1.00 0.00 O ATOM 0 H GLY A 78 2.753 20.380 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.273 20.156 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.844 21.830 -8.397 1.00 0.00 H new TER 1204 GLY A 78