USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 574 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 31 THR OG1 : rot -90:sc= 0.00111 USER MOD Set 1.2: A 37 GLN : amide:sc= -5.22 K(o=-5.2,f=-8.4!) USER MOD Single : A 1 LYS N :NH3+ -166:sc= 0 (180deg=-0.0675) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.223 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.29 K(o=-1.3,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= 0.251 K(o=0.25,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0405 K(o=-0.04,f=-1.6!) USER MOD Single : A 33 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -4.14! C(o=-4.9!,f=-4.1!) USER MOD Single : A 48 GLN : amide:sc= -0.274 K(o=-0.27,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.61) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0389 K(o=-0.039,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -24.108 -16.179 -6.207 1.00 0.00 N ATOM 2 CA LYS A 1 -25.091 -15.193 -5.675 1.00 0.00 C ATOM 3 C LYS A 1 -24.345 -13.981 -5.110 1.00 0.00 C ATOM 4 O LYS A 1 -24.063 -13.925 -3.914 1.00 0.00 O ATOM 5 CB LYS A 1 -25.919 -15.846 -4.565 1.00 0.00 C ATOM 6 CG LYS A 1 -27.289 -15.172 -4.486 1.00 0.00 C ATOM 7 CD LYS A 1 -28.307 -16.153 -3.900 1.00 0.00 C ATOM 8 CE LYS A 1 -28.317 -16.028 -2.375 1.00 0.00 C ATOM 9 NZ LYS A 1 -29.640 -16.469 -1.849 1.00 0.00 N ATOM 0 H1 LYS A 1 -24.603 -16.879 -6.795 1.00 0.00 H new ATOM 0 H2 LYS A 1 -23.397 -15.684 -6.782 1.00 0.00 H new ATOM 0 H3 LYS A 1 -23.638 -16.662 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 1 -25.752 -14.870 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -26.037 -16.911 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -25.402 -15.755 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -27.231 -14.278 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -27.606 -14.852 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -29.300 -15.945 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -28.054 -17.173 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -27.521 -16.636 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -28.123 -14.996 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -29.647 -16.384 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -30.390 -15.871 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -29.807 -17.460 -2.116 1.00 0.00 H new ATOM 25 N PRO A 2 -24.015 -12.993 -5.960 1.00 0.00 N ATOM 26 CA PRO A 2 -23.296 -11.781 -5.523 1.00 0.00 C ATOM 27 C PRO A 2 -24.231 -10.723 -4.940 1.00 0.00 C ATOM 28 O PRO A 2 -25.052 -10.141 -5.649 1.00 0.00 O ATOM 29 CB PRO A 2 -22.661 -11.285 -6.815 1.00 0.00 C ATOM 30 CG PRO A 2 -23.495 -11.835 -7.963 1.00 0.00 C ATOM 31 CD PRO A 2 -24.325 -12.998 -7.412 1.00 0.00 C ATOM 0 HA PRO A 2 -22.582 -11.987 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -22.641 -10.195 -6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -21.628 -11.625 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.144 -11.060 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.853 -12.174 -8.776 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -25.390 -12.852 -7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -24.048 -13.944 -7.878 1.00 0.00 H new ATOM 39 N VAL A 3 -24.094 -10.482 -3.639 1.00 0.00 N ATOM 40 CA VAL A 3 -24.930 -9.492 -2.965 1.00 0.00 C ATOM 41 C VAL A 3 -24.111 -8.719 -1.940 1.00 0.00 C ATOM 42 O VAL A 3 -23.905 -7.512 -2.064 1.00 0.00 O ATOM 43 CB VAL A 3 -26.106 -10.171 -2.258 1.00 0.00 C ATOM 44 CG1 VAL A 3 -27.070 -9.106 -1.728 1.00 0.00 C ATOM 45 CG2 VAL A 3 -26.845 -11.074 -3.248 1.00 0.00 C ATOM 0 H VAL A 3 -23.420 -10.953 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.313 -8.805 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.731 -10.769 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -27.907 -9.591 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -26.547 -8.461 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.444 -8.508 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -27.682 -11.557 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -27.218 -10.475 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -26.162 -11.834 -3.627 1.00 0.00 H new ATOM 55 N SER A 4 -23.649 -9.435 -0.928 1.00 0.00 N ATOM 56 CA SER A 4 -22.848 -8.825 0.129 1.00 0.00 C ATOM 57 C SER A 4 -22.315 -9.893 1.079 1.00 0.00 C ATOM 58 O SER A 4 -23.035 -10.386 1.947 1.00 0.00 O ATOM 59 CB SER A 4 -23.684 -7.824 0.925 1.00 0.00 C ATOM 60 OG SER A 4 -22.842 -7.122 1.830 1.00 0.00 O ATOM 0 H SER A 4 -23.812 -10.435 -0.813 1.00 0.00 H new ATOM 0 HA SER A 4 -22.012 -8.307 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 4 -24.174 -7.124 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 4 -24.471 -8.344 1.471 1.00 0.00 H new ATOM 0 HG SER A 4 -23.376 -6.478 2.341 1.00 0.00 H new ATOM 66 N LEU A 5 -21.045 -10.243 0.904 1.00 0.00 N ATOM 67 CA LEU A 5 -20.419 -11.255 1.752 1.00 0.00 C ATOM 68 C LEU A 5 -18.905 -11.067 1.776 1.00 0.00 C ATOM 69 O LEU A 5 -18.191 -11.546 0.895 1.00 0.00 O ATOM 70 CB LEU A 5 -20.738 -12.660 1.234 1.00 0.00 C ATOM 71 CG LEU A 5 -20.276 -13.699 2.257 1.00 0.00 C ATOM 72 CD1 LEU A 5 -21.441 -14.057 3.182 1.00 0.00 C ATOM 73 CD2 LEU A 5 -19.800 -14.956 1.527 1.00 0.00 C ATOM 0 H LEU A 5 -20.433 -9.847 0.191 1.00 0.00 H new ATOM 0 HA LEU A 5 -20.816 -11.141 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.809 -12.759 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -20.241 -12.828 0.279 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.456 -13.289 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.112 -14.797 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -21.781 -13.161 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -22.261 -14.467 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.471 -15.697 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -20.620 -15.366 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.970 -14.702 0.868 1.00 0.00 H new ATOM 85 N SER A 6 -18.424 -10.362 2.798 1.00 0.00 N ATOM 86 CA SER A 6 -16.990 -10.110 2.935 1.00 0.00 C ATOM 87 C SER A 6 -16.469 -9.331 1.729 1.00 0.00 C ATOM 88 O SER A 6 -17.243 -8.858 0.897 1.00 0.00 O ATOM 89 CB SER A 6 -16.222 -11.428 3.051 1.00 0.00 C ATOM 90 OG SER A 6 -14.940 -11.176 3.612 1.00 0.00 O ATOM 0 H SER A 6 -18.999 -9.958 3.537 1.00 0.00 H new ATOM 0 HA SER A 6 -16.836 -9.523 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.774 -12.130 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.118 -11.889 2.069 1.00 0.00 H new ATOM 0 HG SER A 6 -14.445 -12.019 3.690 1.00 0.00 H new ATOM 96 N TYR A 7 -15.148 -9.202 1.647 1.00 0.00 N ATOM 97 CA TYR A 7 -14.534 -8.477 0.539 1.00 0.00 C ATOM 98 C TYR A 7 -13.808 -9.443 -0.394 1.00 0.00 C ATOM 99 O TYR A 7 -13.748 -10.647 -0.144 1.00 0.00 O ATOM 100 CB TYR A 7 -13.537 -7.435 1.066 1.00 0.00 C ATOM 101 CG TYR A 7 -14.193 -6.073 1.096 1.00 0.00 C ATOM 102 CD1 TYR A 7 -14.702 -5.515 -0.082 1.00 0.00 C ATOM 103 CD2 TYR A 7 -14.290 -5.369 2.303 1.00 0.00 C ATOM 104 CE1 TYR A 7 -15.308 -4.253 -0.055 1.00 0.00 C ATOM 105 CE2 TYR A 7 -14.896 -4.107 2.331 1.00 0.00 C ATOM 106 CZ TYR A 7 -15.405 -3.550 1.151 1.00 0.00 C ATOM 107 OH TYR A 7 -16.003 -2.306 1.178 1.00 0.00 O ATOM 0 H TYR A 7 -14.489 -9.585 2.325 1.00 0.00 H new ATOM 0 HA TYR A 7 -15.326 -7.970 -0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.203 -7.711 2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -12.652 -7.409 0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.627 -6.058 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -13.897 -5.800 3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.700 -3.822 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.971 -3.564 3.261 1.00 0.00 H new ATOM 0 HH TYR A 7 -15.989 -1.956 2.093 1.00 0.00 H new ATOM 117 N ARG A 8 -13.262 -8.896 -1.476 1.00 0.00 N ATOM 118 CA ARG A 8 -12.541 -9.708 -2.456 1.00 0.00 C ATOM 119 C ARG A 8 -11.373 -8.926 -3.060 1.00 0.00 C ATOM 120 O ARG A 8 -10.930 -9.205 -4.174 1.00 0.00 O ATOM 121 CB ARG A 8 -13.489 -10.116 -3.580 1.00 0.00 C ATOM 122 CG ARG A 8 -13.955 -11.561 -3.374 1.00 0.00 C ATOM 123 CD ARG A 8 -12.778 -12.519 -3.580 1.00 0.00 C ATOM 124 NE ARG A 8 -13.213 -13.724 -4.280 1.00 0.00 N ATOM 125 CZ ARG A 8 -13.123 -14.921 -3.706 1.00 0.00 C ATOM 126 NH1 ARG A 8 -12.022 -15.613 -3.805 1.00 0.00 N ATOM 127 NH2 ARG A 8 -14.140 -15.403 -3.043 1.00 0.00 N ATOM 0 H ARG A 8 -13.303 -7.901 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.154 -10.590 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.350 -9.447 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.987 -10.021 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.363 -11.682 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.756 -11.798 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.994 -12.023 -4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.348 -12.788 -2.615 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.592 -13.647 -5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.228 -15.237 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.955 -16.530 -3.364 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.001 -14.862 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.073 -16.320 -2.602 1.00 0.00 H new ATOM 141 N CYS A 9 -10.887 -7.943 -2.316 1.00 0.00 N ATOM 142 CA CYS A 9 -9.769 -7.111 -2.782 1.00 0.00 C ATOM 143 C CYS A 9 -8.557 -7.990 -3.124 1.00 0.00 C ATOM 144 O CYS A 9 -8.487 -9.143 -2.697 1.00 0.00 O ATOM 145 CB CYS A 9 -9.348 -6.083 -1.714 1.00 0.00 C ATOM 146 SG CYS A 9 -10.790 -5.236 -0.987 1.00 0.00 S ATOM 0 H CYS A 9 -11.241 -7.697 -1.392 1.00 0.00 H new ATOM 0 HA CYS A 9 -10.109 -6.579 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.786 -6.586 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.681 -5.346 -2.161 1.00 0.00 H new ATOM 151 N PRO A 10 -7.593 -7.468 -3.901 1.00 0.00 N ATOM 152 CA PRO A 10 -6.394 -8.238 -4.289 1.00 0.00 C ATOM 153 C PRO A 10 -5.327 -8.257 -3.197 1.00 0.00 C ATOM 154 O PRO A 10 -4.562 -9.213 -3.077 1.00 0.00 O ATOM 155 CB PRO A 10 -5.901 -7.498 -5.525 1.00 0.00 C ATOM 156 CG PRO A 10 -6.437 -6.076 -5.437 1.00 0.00 C ATOM 157 CD PRO A 10 -7.608 -6.088 -4.451 1.00 0.00 C ATOM 0 HA PRO A 10 -6.617 -9.290 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.812 -7.498 -5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.253 -7.987 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.658 -5.392 -5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.764 -5.728 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.478 -5.343 -3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.552 -5.866 -4.948 1.00 0.00 H new ATOM 165 N CYS A 11 -5.290 -7.195 -2.399 1.00 0.00 N ATOM 166 CA CYS A 11 -4.315 -7.112 -1.314 1.00 0.00 C ATOM 167 C CYS A 11 -4.780 -7.948 -0.129 1.00 0.00 C ATOM 168 O CYS A 11 -5.972 -8.033 0.165 1.00 0.00 O ATOM 169 CB CYS A 11 -4.127 -5.666 -0.850 1.00 0.00 C ATOM 170 SG CYS A 11 -3.055 -4.782 -2.012 1.00 0.00 S ATOM 0 H CYS A 11 -5.912 -6.391 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.366 -7.491 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.094 -5.168 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.689 -5.649 0.148 1.00 0.00 H new ATOM 175 N ARG A 12 -3.819 -8.560 0.544 1.00 0.00 N ATOM 176 CA ARG A 12 -4.117 -9.393 1.705 1.00 0.00 C ATOM 177 C ARG A 12 -3.246 -8.978 2.883 1.00 0.00 C ATOM 178 O ARG A 12 -3.726 -8.813 4.005 1.00 0.00 O ATOM 179 CB ARG A 12 -3.862 -10.867 1.388 1.00 0.00 C ATOM 180 CG ARG A 12 -4.930 -11.373 0.414 1.00 0.00 C ATOM 181 CD ARG A 12 -6.061 -12.044 1.197 1.00 0.00 C ATOM 182 NE ARG A 12 -7.235 -12.229 0.348 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.393 -12.636 0.861 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.659 -13.911 0.940 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.262 -11.760 1.286 1.00 0.00 N ATOM 0 H ARG A 12 -2.828 -8.498 0.310 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.168 -9.258 1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.870 -10.990 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.883 -11.456 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.323 -10.543 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.490 -12.081 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.725 -13.009 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.323 -11.434 2.062 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.166 -12.043 -0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.979 -14.595 0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.547 -14.223 1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.053 -10.763 1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.150 -12.072 1.679 1.00 0.00 H new ATOM 199 N PHE A 13 -1.960 -8.804 2.608 1.00 0.00 N ATOM 200 CA PHE A 13 -1.016 -8.397 3.643 1.00 0.00 C ATOM 201 C PHE A 13 -0.429 -7.035 3.298 1.00 0.00 C ATOM 202 O PHE A 13 0.016 -6.801 2.175 1.00 0.00 O ATOM 203 CB PHE A 13 0.126 -9.409 3.774 1.00 0.00 C ATOM 204 CG PHE A 13 -0.439 -10.804 3.910 1.00 0.00 C ATOM 205 CD1 PHE A 13 -0.896 -11.256 5.154 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.507 -11.644 2.793 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.419 -12.548 5.281 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.029 -12.937 2.919 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.486 -13.389 4.163 1.00 0.00 C ATOM 0 H PHE A 13 -1.548 -8.937 1.684 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.555 -8.347 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.775 -9.353 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.739 -9.169 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.845 -10.607 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.157 -11.295 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.771 -12.896 6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.079 -13.586 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.890 -14.386 4.260 1.00 0.00 H new ATOM 219 N PHE A 14 -0.437 -6.138 4.275 1.00 0.00 N ATOM 220 CA PHE A 14 0.093 -4.796 4.063 1.00 0.00 C ATOM 221 C PHE A 14 1.417 -4.622 4.792 1.00 0.00 C ATOM 222 O PHE A 14 1.551 -4.971 5.964 1.00 0.00 O ATOM 223 CB PHE A 14 -0.888 -3.741 4.570 1.00 0.00 C ATOM 224 CG PHE A 14 -1.958 -3.515 3.535 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.842 -4.545 3.198 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.061 -2.271 2.912 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.833 -4.326 2.234 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.048 -2.050 1.948 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.936 -3.078 1.608 1.00 0.00 C ATOM 0 H PHE A 14 -0.800 -6.311 5.212 1.00 0.00 H new ATOM 0 HA PHE A 14 0.245 -4.667 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.337 -4.067 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.362 -2.808 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.760 -5.508 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.377 -1.478 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.518 -5.119 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.126 -1.087 1.465 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.700 -2.908 0.863 1.00 0.00 H new ATOM 239 N GLU A 15 2.394 -4.067 4.084 1.00 0.00 N ATOM 240 CA GLU A 15 3.707 -3.839 4.675 1.00 0.00 C ATOM 241 C GLU A 15 3.815 -2.401 5.177 1.00 0.00 C ATOM 242 O GLU A 15 4.483 -1.562 4.573 1.00 0.00 O ATOM 243 CB GLU A 15 4.811 -4.107 3.649 1.00 0.00 C ATOM 244 CG GLU A 15 4.707 -5.549 3.154 1.00 0.00 C ATOM 245 CD GLU A 15 5.067 -6.505 4.287 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.245 -6.765 4.465 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.158 -6.961 4.961 1.00 0.00 O ATOM 0 H GLU A 15 2.304 -3.770 3.112 1.00 0.00 H new ATOM 0 HA GLU A 15 3.829 -4.524 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.719 -3.416 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.789 -3.935 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.696 -5.751 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.377 -5.703 2.308 1.00 0.00 H new ATOM 254 N SER A 16 3.147 -2.125 6.295 1.00 0.00 N ATOM 255 CA SER A 16 3.175 -0.783 6.875 1.00 0.00 C ATOM 256 C SER A 16 4.603 -0.386 7.239 1.00 0.00 C ATOM 257 O SER A 16 4.955 0.792 7.228 1.00 0.00 O ATOM 258 CB SER A 16 2.302 -0.716 8.128 1.00 0.00 C ATOM 259 OG SER A 16 2.614 -1.811 8.978 1.00 0.00 O ATOM 0 H SER A 16 2.586 -2.802 6.812 1.00 0.00 H new ATOM 0 HA SER A 16 2.785 -0.091 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.470 0.225 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.248 -0.744 7.852 1.00 0.00 H new ATOM 0 HG SER A 16 2.057 -1.769 9.783 1.00 0.00 H new ATOM 265 N HIS A 17 5.427 -1.384 7.553 1.00 0.00 N ATOM 266 CA HIS A 17 6.822 -1.125 7.909 1.00 0.00 C ATOM 267 C HIS A 17 7.555 -0.410 6.769 1.00 0.00 C ATOM 268 O HIS A 17 8.587 0.225 6.983 1.00 0.00 O ATOM 269 CB HIS A 17 7.546 -2.437 8.218 1.00 0.00 C ATOM 270 CG HIS A 17 7.353 -2.786 9.668 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.183 -2.294 10.663 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.429 -3.575 10.307 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.746 -2.786 11.836 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.679 -3.574 11.676 1.00 0.00 N ATOM 0 H HIS A 17 5.158 -2.368 7.569 1.00 0.00 H new ATOM 0 HA HIS A 17 6.824 -0.486 8.792 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.159 -3.236 7.586 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.608 -2.340 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.630 -4.115 9.821 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.202 -2.570 12.791 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.159 -4.068 12.401 1.00 0.00 H new ATOM 282 N VAL A 18 7.010 -0.517 5.552 1.00 0.00 N ATOM 283 CA VAL A 18 7.615 0.119 4.387 1.00 0.00 C ATOM 284 C VAL A 18 7.773 1.622 4.615 1.00 0.00 C ATOM 285 O VAL A 18 7.090 2.224 5.443 1.00 0.00 O ATOM 286 CB VAL A 18 6.742 -0.120 3.143 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.361 0.554 1.913 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.632 -1.621 2.883 1.00 0.00 C ATOM 0 H VAL A 18 6.155 -1.037 5.353 1.00 0.00 H new ATOM 0 HA VAL A 18 8.600 -0.320 4.231 1.00 0.00 H new ATOM 0 HB VAL A 18 5.755 0.306 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.729 0.374 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.441 1.627 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.353 0.141 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.014 -1.793 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.626 -2.035 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.177 -2.107 3.746 1.00 0.00 H new ATOM 298 N ALA A 19 8.681 2.207 3.850 1.00 0.00 N ATOM 299 CA ALA A 19 8.946 3.635 3.935 1.00 0.00 C ATOM 300 C ALA A 19 9.390 4.149 2.572 1.00 0.00 C ATOM 301 O ALA A 19 10.150 3.489 1.866 1.00 0.00 O ATOM 302 CB ALA A 19 10.038 3.926 4.965 1.00 0.00 C ATOM 0 H ALA A 19 9.249 1.713 3.161 1.00 0.00 H new ATOM 0 HA ALA A 19 8.031 4.139 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.218 5.000 5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.719 3.570 5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.957 3.416 4.675 1.00 0.00 H new ATOM 308 N ARG A 20 8.894 5.332 2.206 1.00 0.00 N ATOM 309 CA ARG A 20 9.213 5.951 0.908 1.00 0.00 C ATOM 310 C ARG A 20 10.690 5.789 0.524 1.00 0.00 C ATOM 311 O ARG A 20 11.032 5.736 -0.657 1.00 0.00 O ATOM 312 CB ARG A 20 8.876 7.441 0.936 1.00 0.00 C ATOM 313 CG ARG A 20 8.974 8.021 -0.479 1.00 0.00 C ATOM 314 CD ARG A 20 7.740 7.614 -1.288 1.00 0.00 C ATOM 315 NE ARG A 20 7.930 7.920 -2.703 1.00 0.00 N ATOM 316 CZ ARG A 20 6.900 8.261 -3.473 1.00 0.00 C ATOM 317 NH1 ARG A 20 6.412 9.470 -3.411 1.00 0.00 N ATOM 318 NH2 ARG A 20 6.377 7.388 -4.290 1.00 0.00 N ATOM 0 H ARG A 20 8.267 5.886 2.789 1.00 0.00 H new ATOM 0 HA ARG A 20 8.609 5.435 0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.871 7.589 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.561 7.966 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.049 9.107 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.878 7.660 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.552 6.548 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.862 8.139 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 20 8.865 7.872 -3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.820 10.153 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.622 9.732 -4.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.758 6.443 -4.339 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.587 7.651 -4.880 1.00 0.00 H new ATOM 332 N ALA A 21 11.558 5.715 1.529 1.00 0.00 N ATOM 333 CA ALA A 21 12.987 5.566 1.272 1.00 0.00 C ATOM 334 C ALA A 21 13.280 4.256 0.550 1.00 0.00 C ATOM 335 O ALA A 21 13.756 4.248 -0.584 1.00 0.00 O ATOM 336 CB ALA A 21 13.776 5.601 2.582 1.00 0.00 C ATOM 0 H ALA A 21 11.302 5.755 2.516 1.00 0.00 H new ATOM 0 HA ALA A 21 13.294 6.398 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.839 5.488 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.605 6.553 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.447 4.786 3.227 1.00 0.00 H new ATOM 342 N ASN A 22 12.997 3.149 1.223 1.00 0.00 N ATOM 343 CA ASN A 22 13.241 1.835 0.639 1.00 0.00 C ATOM 344 C ASN A 22 12.244 1.522 -0.476 1.00 0.00 C ATOM 345 O ASN A 22 12.456 0.598 -1.259 1.00 0.00 O ATOM 346 CB ASN A 22 13.149 0.750 1.712 1.00 0.00 C ATOM 347 CG ASN A 22 11.821 0.862 2.450 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.555 1.861 3.117 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.963 -0.118 2.370 1.00 0.00 N ATOM 0 H ASN A 22 12.603 3.132 2.164 1.00 0.00 H new ATOM 0 HA ASN A 22 14.245 1.851 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.239 -0.235 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.976 0.851 2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.071 -0.056 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.184 -0.946 1.817 1.00 0.00 H new ATOM 356 N VAL A 23 11.159 2.296 -0.557 1.00 0.00 N ATOM 357 CA VAL A 23 10.167 2.064 -1.606 1.00 0.00 C ATOM 358 C VAL A 23 10.789 2.374 -2.963 1.00 0.00 C ATOM 359 O VAL A 23 11.493 3.370 -3.127 1.00 0.00 O ATOM 360 CB VAL A 23 8.923 2.936 -1.386 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.865 2.626 -2.452 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.331 2.651 0.002 1.00 0.00 C ATOM 0 H VAL A 23 10.949 3.069 0.074 1.00 0.00 H new ATOM 0 HA VAL A 23 9.857 1.020 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 23 9.214 3.984 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.987 3.250 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.274 2.831 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.581 1.576 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.448 3.271 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.052 1.600 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.072 2.879 0.768 1.00 0.00 H new ATOM 372 N LYS A 24 10.531 1.501 -3.929 1.00 0.00 N ATOM 373 CA LYS A 24 11.083 1.681 -5.270 1.00 0.00 C ATOM 374 C LYS A 24 10.142 2.517 -6.126 1.00 0.00 C ATOM 375 O LYS A 24 10.535 3.541 -6.687 1.00 0.00 O ATOM 376 CB LYS A 24 11.297 0.324 -5.947 1.00 0.00 C ATOM 377 CG LYS A 24 12.068 0.521 -7.254 1.00 0.00 C ATOM 378 CD LYS A 24 12.181 -0.816 -7.988 1.00 0.00 C ATOM 379 CE LYS A 24 13.486 -0.853 -8.785 1.00 0.00 C ATOM 380 NZ LYS A 24 13.406 -1.923 -9.821 1.00 0.00 N ATOM 0 H LYS A 24 9.950 0.670 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 24 12.039 2.195 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.849 -0.342 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.336 -0.150 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.558 1.251 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.061 0.919 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.156 -1.638 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.330 -0.949 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.663 0.113 -9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.327 -1.040 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.293 -1.948 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.256 -2.843 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.613 -1.725 -10.464 1.00 0.00 H new ATOM 394 N HIS A 25 8.895 2.073 -6.221 1.00 0.00 N ATOM 395 CA HIS A 25 7.905 2.793 -7.015 1.00 0.00 C ATOM 396 C HIS A 25 6.497 2.472 -6.533 1.00 0.00 C ATOM 397 O HIS A 25 6.238 1.396 -5.990 1.00 0.00 O ATOM 398 CB HIS A 25 8.025 2.415 -8.492 1.00 0.00 C ATOM 399 CG HIS A 25 7.510 3.544 -9.341 1.00 0.00 C ATOM 400 ND1 HIS A 25 6.201 3.591 -9.795 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.115 4.676 -9.827 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.062 4.716 -10.519 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.199 5.415 -10.571 1.00 0.00 N ATOM 0 H HIS A 25 8.547 1.229 -5.765 1.00 0.00 H new ATOM 0 HA HIS A 25 8.093 3.860 -6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.065 2.203 -8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.458 1.506 -8.693 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.475 2.898 -9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.145 4.952 -9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.143 5.017 -11.000 1.00 0.00 H new ATOM 411 N LEU A 26 5.586 3.419 -6.740 1.00 0.00 N ATOM 412 CA LEU A 26 4.201 3.227 -6.326 1.00 0.00 C ATOM 413 C LEU A 26 3.350 2.788 -7.508 1.00 0.00 C ATOM 414 O LEU A 26 3.617 3.139 -8.657 1.00 0.00 O ATOM 415 CB LEU A 26 3.609 4.523 -5.763 1.00 0.00 C ATOM 416 CG LEU A 26 3.911 4.655 -4.264 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.288 5.954 -3.745 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.318 3.466 -3.492 1.00 0.00 C ATOM 0 H LEU A 26 5.779 4.316 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 26 4.197 2.459 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.021 5.379 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.531 4.535 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 26 4.991 4.668 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.497 6.058 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.713 6.802 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.210 5.929 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.541 3.574 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.238 3.441 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.754 2.538 -3.862 1.00 0.00 H new ATOM 430 N LYS A 27 2.311 2.023 -7.203 1.00 0.00 N ATOM 431 CA LYS A 27 1.401 1.539 -8.234 1.00 0.00 C ATOM 432 C LYS A 27 0.023 1.285 -7.629 1.00 0.00 C ATOM 433 O LYS A 27 -0.098 0.938 -6.454 1.00 0.00 O ATOM 434 CB LYS A 27 1.933 0.248 -8.862 1.00 0.00 C ATOM 435 CG LYS A 27 1.044 -0.159 -10.040 1.00 0.00 C ATOM 436 CD LYS A 27 1.823 -1.089 -10.971 1.00 0.00 C ATOM 437 CE LYS A 27 1.160 -1.104 -12.350 1.00 0.00 C ATOM 438 NZ LYS A 27 2.118 -1.642 -13.356 1.00 0.00 N ATOM 0 H LYS A 27 2.077 1.725 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 27 1.324 2.299 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.959 0.393 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.953 -0.548 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.147 -0.660 -9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.716 0.726 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.856 -0.753 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.849 -2.097 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.259 -1.717 -12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.852 -0.096 -12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.668 -1.652 -14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.965 -1.040 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.391 -2.610 -13.092 1.00 0.00 H new ATOM 452 N ILE A 28 -1.014 1.474 -8.436 1.00 0.00 N ATOM 453 CA ILE A 28 -2.378 1.273 -7.964 1.00 0.00 C ATOM 454 C ILE A 28 -3.129 0.324 -8.893 1.00 0.00 C ATOM 455 O ILE A 28 -2.894 0.295 -10.100 1.00 0.00 O ATOM 456 CB ILE A 28 -3.120 2.610 -7.908 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.306 3.615 -7.088 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.484 2.411 -7.249 1.00 0.00 C ATOM 459 CD1 ILE A 28 -2.962 4.994 -7.171 1.00 0.00 C ATOM 0 H ILE A 28 -0.938 1.763 -9.411 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.332 0.839 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.255 2.989 -8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.248 3.290 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.284 3.664 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.012 3.364 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.068 1.697 -7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.347 2.030 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.382 5.709 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.997 5.318 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.976 4.939 -6.774 1.00 0.00 H new ATOM 471 N LEU A 29 -4.043 -0.449 -8.312 1.00 0.00 N ATOM 472 CA LEU A 29 -4.834 -1.395 -9.092 1.00 0.00 C ATOM 473 C LEU A 29 -6.309 -1.011 -9.040 1.00 0.00 C ATOM 474 O LEU A 29 -6.914 -0.956 -7.970 1.00 0.00 O ATOM 475 CB LEU A 29 -4.669 -2.814 -8.547 1.00 0.00 C ATOM 476 CG LEU A 29 -3.468 -3.482 -9.218 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.088 -4.746 -8.444 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.832 -3.857 -10.657 1.00 0.00 C ATOM 0 H LEU A 29 -4.253 -0.439 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.481 -1.364 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.526 -2.786 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.573 -3.394 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.625 -2.792 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.232 -5.222 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.830 -4.481 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.931 -5.437 -8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.977 -4.333 -11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.675 -4.547 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.103 -2.958 -11.210 1.00 0.00 H new ATOM 490 N ASN A 30 -6.878 -0.743 -10.210 1.00 0.00 N ATOM 491 CA ASN A 30 -8.283 -0.358 -10.292 1.00 0.00 C ATOM 492 C ASN A 30 -9.179 -1.593 -10.259 1.00 0.00 C ATOM 493 O ASN A 30 -9.619 -2.088 -11.298 1.00 0.00 O ATOM 494 CB ASN A 30 -8.552 0.420 -11.581 1.00 0.00 C ATOM 495 CG ASN A 30 -9.936 1.056 -11.515 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.426 1.381 -10.433 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.605 1.252 -12.619 1.00 0.00 N ATOM 0 H ASN A 30 -6.394 -0.784 -11.107 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.507 0.275 -9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.793 1.190 -11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.488 -0.247 -12.441 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.533 1.674 -12.585 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.200 0.983 -13.516 1.00 0.00 H new ATOM 504 N THR A 31 -9.446 -2.082 -9.052 1.00 0.00 N ATOM 505 CA THR A 31 -10.294 -3.259 -8.888 1.00 0.00 C ATOM 506 C THR A 31 -11.762 -2.836 -8.756 1.00 0.00 C ATOM 507 O THR A 31 -12.055 -1.790 -8.178 1.00 0.00 O ATOM 508 CB THR A 31 -9.885 -4.042 -7.637 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.513 -3.801 -7.356 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.103 -5.538 -7.874 1.00 0.00 C ATOM 0 H THR A 31 -9.092 -1.687 -8.181 1.00 0.00 H new ATOM 0 HA THR A 31 -10.172 -3.893 -9.766 1.00 0.00 H new ATOM 0 HB THR A 31 -10.492 -3.718 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.963 -4.467 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.811 -6.094 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.156 -5.723 -8.089 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.497 -5.864 -8.719 1.00 0.00 H new ATOM 518 N PRO A 32 -12.705 -3.633 -9.286 1.00 0.00 N ATOM 519 CA PRO A 32 -14.143 -3.309 -9.208 1.00 0.00 C ATOM 520 C PRO A 32 -14.769 -3.750 -7.889 1.00 0.00 C ATOM 521 O PRO A 32 -15.483 -2.989 -7.235 1.00 0.00 O ATOM 522 CB PRO A 32 -14.729 -4.098 -10.371 1.00 0.00 C ATOM 523 CG PRO A 32 -13.772 -5.248 -10.656 1.00 0.00 C ATOM 524 CD PRO A 32 -12.431 -4.905 -10.000 1.00 0.00 C ATOM 0 HA PRO A 32 -14.330 -2.236 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.721 -4.475 -10.121 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.842 -3.463 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.166 -6.183 -10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.649 -5.387 -11.730 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.109 -5.688 -9.314 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.641 -4.786 -10.742 1.00 0.00 H new ATOM 532 N ASN A 33 -14.491 -4.992 -7.511 1.00 0.00 N ATOM 533 CA ASN A 33 -15.024 -5.547 -6.271 1.00 0.00 C ATOM 534 C ASN A 33 -14.604 -4.706 -5.066 1.00 0.00 C ATOM 535 O ASN A 33 -15.285 -4.689 -4.040 1.00 0.00 O ATOM 536 CB ASN A 33 -14.525 -6.980 -6.073 1.00 0.00 C ATOM 537 CG ASN A 33 -15.374 -7.934 -6.904 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.193 -8.680 -6.365 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.228 -7.958 -8.201 1.00 0.00 N ATOM 0 H ASN A 33 -13.902 -5.633 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.111 -5.540 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.479 -7.056 -6.369 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.579 -7.253 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.791 -8.593 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.551 -7.341 -8.649 1.00 0.00 H new ATOM 546 N CYS A 34 -13.476 -4.012 -5.196 1.00 0.00 N ATOM 547 CA CYS A 34 -12.978 -3.179 -4.103 1.00 0.00 C ATOM 548 C CYS A 34 -12.642 -1.781 -4.601 1.00 0.00 C ATOM 549 O CYS A 34 -12.700 -1.499 -5.798 1.00 0.00 O ATOM 550 CB CYS A 34 -11.723 -3.803 -3.488 1.00 0.00 C ATOM 551 SG CYS A 34 -12.204 -5.191 -2.433 1.00 0.00 S ATOM 0 H CYS A 34 -12.896 -4.008 -6.035 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.762 -3.113 -3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.050 -4.145 -4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.181 -3.059 -2.905 1.00 0.00 H new ATOM 556 N ALA A 35 -12.279 -0.913 -3.666 1.00 0.00 N ATOM 557 CA ALA A 35 -11.920 0.459 -4.009 1.00 0.00 C ATOM 558 C ALA A 35 -10.519 0.476 -4.625 1.00 0.00 C ATOM 559 O ALA A 35 -10.044 -0.545 -5.123 1.00 0.00 O ATOM 560 CB ALA A 35 -11.954 1.338 -2.754 1.00 0.00 C ATOM 0 H ALA A 35 -12.225 -1.131 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.636 0.853 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.685 2.361 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.957 1.326 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.244 0.954 -2.021 1.00 0.00 H new ATOM 566 N LEU A 36 -9.855 1.632 -4.592 1.00 0.00 N ATOM 567 CA LEU A 36 -8.512 1.726 -5.152 1.00 0.00 C ATOM 568 C LEU A 36 -7.489 1.228 -4.135 1.00 0.00 C ATOM 569 O LEU A 36 -7.084 1.958 -3.231 1.00 0.00 O ATOM 570 CB LEU A 36 -8.181 3.179 -5.523 1.00 0.00 C ATOM 571 CG LEU A 36 -8.820 3.551 -6.872 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.266 2.649 -7.978 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.342 3.386 -6.791 1.00 0.00 C ATOM 0 H LEU A 36 -10.218 2.497 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.473 1.109 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.544 3.851 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.100 3.309 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.582 4.590 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.723 2.918 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.186 2.777 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.494 1.608 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.788 3.651 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.583 2.350 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.738 4.039 -6.013 1.00 0.00 H new ATOM 585 N GLN A 37 -7.070 -0.025 -4.299 1.00 0.00 N ATOM 586 CA GLN A 37 -6.084 -0.613 -3.394 1.00 0.00 C ATOM 587 C GLN A 37 -4.683 -0.194 -3.826 1.00 0.00 C ATOM 588 O GLN A 37 -4.257 -0.478 -4.946 1.00 0.00 O ATOM 589 CB GLN A 37 -6.179 -2.143 -3.413 1.00 0.00 C ATOM 590 CG GLN A 37 -7.379 -2.602 -2.575 1.00 0.00 C ATOM 591 CD GLN A 37 -8.664 -2.389 -3.360 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.518 -1.600 -2.956 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.857 -3.052 -4.467 1.00 0.00 N ATOM 0 H GLN A 37 -7.393 -0.647 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.285 -0.258 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.284 -2.497 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.261 -2.578 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.271 -3.655 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.416 -2.044 -1.639 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.148 -3.705 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.717 -2.917 -4.999 1.00 0.00 H new ATOM 602 N ILE A 38 -3.975 0.501 -2.939 1.00 0.00 N ATOM 603 CA ILE A 38 -2.630 0.964 -3.268 1.00 0.00 C ATOM 604 C ILE A 38 -1.601 -0.142 -3.082 1.00 0.00 C ATOM 605 O ILE A 38 -1.375 -0.639 -1.975 1.00 0.00 O ATOM 606 CB ILE A 38 -2.217 2.158 -2.407 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.320 3.221 -2.419 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.929 2.760 -2.981 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.192 4.096 -1.170 1.00 0.00 C ATOM 0 H ILE A 38 -4.301 0.752 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.659 1.266 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.054 1.826 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.240 3.834 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.300 2.745 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.624 3.613 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.140 2.008 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.106 3.088 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.975 4.854 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.293 3.476 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.217 4.582 -1.165 1.00 0.00 H new ATOM 621 N VAL A 39 -0.947 -0.485 -4.182 1.00 0.00 N ATOM 622 CA VAL A 39 0.095 -1.500 -4.154 1.00 0.00 C ATOM 623 C VAL A 39 1.442 -0.809 -4.294 1.00 0.00 C ATOM 624 O VAL A 39 1.502 0.406 -4.491 1.00 0.00 O ATOM 625 CB VAL A 39 -0.089 -2.519 -5.283 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.394 -3.288 -5.067 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.147 -1.794 -6.627 1.00 0.00 C ATOM 0 H VAL A 39 -1.118 -0.077 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 39 0.040 -2.042 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 39 0.751 -3.213 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.526 -4.013 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.355 -3.809 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.232 -2.590 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.278 -2.522 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.986 -1.098 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.781 -1.245 -6.784 1.00 0.00 H new ATOM 637 N ALA A 40 2.520 -1.569 -4.170 1.00 0.00 N ATOM 638 CA ALA A 40 3.844 -0.971 -4.265 1.00 0.00 C ATOM 639 C ALA A 40 4.914 -2.005 -4.560 1.00 0.00 C ATOM 640 O ALA A 40 4.639 -3.193 -4.688 1.00 0.00 O ATOM 641 CB ALA A 40 4.199 -0.294 -2.949 1.00 0.00 C ATOM 0 H ALA A 40 2.508 -2.576 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 40 3.812 -0.251 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.191 0.152 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.467 0.484 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.194 -1.032 -2.147 1.00 0.00 H new ATOM 647 N ARG A 41 6.145 -1.511 -4.644 1.00 0.00 N ATOM 648 CA ARG A 41 7.302 -2.360 -4.898 1.00 0.00 C ATOM 649 C ARG A 41 8.492 -1.829 -4.104 1.00 0.00 C ATOM 650 O ARG A 41 8.978 -0.725 -4.356 1.00 0.00 O ATOM 651 CB ARG A 41 7.645 -2.372 -6.388 1.00 0.00 C ATOM 652 CG ARG A 41 8.777 -3.372 -6.655 1.00 0.00 C ATOM 653 CD ARG A 41 8.200 -4.674 -7.221 1.00 0.00 C ATOM 654 NE ARG A 41 9.048 -5.190 -8.292 1.00 0.00 N ATOM 655 CZ ARG A 41 9.594 -6.400 -8.211 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.832 -7.453 -8.100 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.892 -6.534 -8.245 1.00 0.00 N ATOM 0 H ARG A 41 6.367 -0.521 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 41 7.070 -3.379 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.764 -2.642 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.946 -1.375 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.493 -2.945 -7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.320 -3.576 -5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.116 -5.416 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.193 -4.497 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 41 9.224 -4.614 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.818 -7.348 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.251 -8.381 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.488 -5.711 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.311 -7.462 -8.183 1.00 0.00 H new ATOM 671 N LEU A 42 8.944 -2.616 -3.127 1.00 0.00 N ATOM 672 CA LEU A 42 10.061 -2.199 -2.288 1.00 0.00 C ATOM 673 C LEU A 42 11.384 -2.407 -3.011 1.00 0.00 C ATOM 674 O LEU A 42 11.506 -3.269 -3.885 1.00 0.00 O ATOM 675 CB LEU A 42 10.091 -2.982 -0.974 1.00 0.00 C ATOM 676 CG LEU A 42 8.687 -3.060 -0.360 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.751 -3.861 0.939 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.175 -1.648 -0.057 1.00 0.00 C ATOM 0 H LEU A 42 8.558 -3.533 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 42 9.922 -1.140 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.472 -3.987 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.774 -2.501 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 42 8.011 -3.546 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.756 -3.920 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.115 -4.867 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.428 -3.369 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.178 -1.708 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.849 -1.160 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.133 -1.070 -0.980 1.00 0.00 H new ATOM 690 N LYS A 43 12.364 -1.592 -2.629 1.00 0.00 N ATOM 691 CA LYS A 43 13.693 -1.647 -3.233 1.00 0.00 C ATOM 692 C LYS A 43 14.586 -2.647 -2.510 1.00 0.00 C ATOM 693 O LYS A 43 15.002 -3.656 -3.079 1.00 0.00 O ATOM 694 CB LYS A 43 14.347 -0.264 -3.177 1.00 0.00 C ATOM 695 CG LYS A 43 15.582 -0.239 -4.077 1.00 0.00 C ATOM 696 CD LYS A 43 15.169 0.137 -5.502 1.00 0.00 C ATOM 697 CE LYS A 43 16.306 0.907 -6.179 1.00 0.00 C ATOM 698 NZ LYS A 43 15.732 1.958 -7.067 1.00 0.00 N ATOM 0 H LYS A 43 12.262 -0.884 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 43 13.577 -1.966 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.636 0.498 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.628 -0.026 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.308 0.479 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 43 16.067 -1.215 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.934 -0.762 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.265 0.746 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.950 1.363 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.927 0.225 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.503 2.482 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.135 1.512 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.157 2.614 -6.501 1.00 0.00 H new ATOM 712 N ASN A 44 14.880 -2.354 -1.244 1.00 0.00 N ATOM 713 CA ASN A 44 15.734 -3.226 -0.434 1.00 0.00 C ATOM 714 C ASN A 44 15.249 -4.678 -0.479 1.00 0.00 C ATOM 715 O ASN A 44 16.029 -5.614 -0.300 1.00 0.00 O ATOM 716 CB ASN A 44 15.747 -2.755 1.022 1.00 0.00 C ATOM 717 CG ASN A 44 17.057 -3.176 1.680 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.057 -3.951 2.637 1.00 0.00 O ATOM 719 ND2 ASN A 44 18.185 -2.708 1.220 1.00 0.00 N ATOM 0 H ASN A 44 14.542 -1.524 -0.757 1.00 0.00 H new ATOM 0 HA ASN A 44 16.740 -3.175 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.637 -1.671 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.902 -3.183 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.066 -2.984 1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 44 18.185 -2.066 0.427 1.00 0.00 H new ATOM 726 N ASN A 45 13.954 -4.851 -0.723 1.00 0.00 N ATOM 727 CA ASN A 45 13.370 -6.187 -0.793 1.00 0.00 C ATOM 728 C ASN A 45 13.089 -6.598 -2.241 1.00 0.00 C ATOM 729 O ASN A 45 12.879 -7.776 -2.524 1.00 0.00 O ATOM 730 CB ASN A 45 12.051 -6.233 -0.026 1.00 0.00 C ATOM 731 CG ASN A 45 12.251 -5.692 1.385 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.862 -4.478 1.663 1.00 0.00 O flip ATOM 733 ND2 ASN A 45 12.773 -6.387 2.257 1.00 0.00 N flip ATOM 0 H ASN A 45 13.293 -4.089 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 45 14.092 -6.875 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.297 -5.643 -0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.681 -7.257 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.077 -7.336 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.902 -6.014 3.198 1.00 0.00 H new ATOM 740 N ASN A 46 13.055 -5.607 -3.145 1.00 0.00 N ATOM 741 CA ASN A 46 12.772 -5.848 -4.570 1.00 0.00 C ATOM 742 C ASN A 46 11.578 -6.788 -4.733 1.00 0.00 C ATOM 743 O ASN A 46 11.662 -7.833 -5.378 1.00 0.00 O ATOM 744 CB ASN A 46 14.002 -6.415 -5.304 1.00 0.00 C ATOM 745 CG ASN A 46 14.385 -7.783 -4.748 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.180 -7.855 -3.716 1.00 0.00 O flip ATOM 747 ND2 ASN A 46 13.951 -8.814 -5.264 1.00 0.00 N flip ATOM 0 H ASN A 46 13.221 -4.627 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 46 12.526 -4.887 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.788 -6.498 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.842 -5.728 -5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.329 -8.758 -6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.213 -9.724 -4.884 1.00 0.00 H new ATOM 754 N ARG A 47 10.467 -6.397 -4.114 1.00 0.00 N ATOM 755 CA ARG A 47 9.252 -7.197 -4.161 1.00 0.00 C ATOM 756 C ARG A 47 8.024 -6.288 -4.096 1.00 0.00 C ATOM 757 O ARG A 47 8.076 -5.191 -3.539 1.00 0.00 O ATOM 758 CB ARG A 47 9.240 -8.167 -2.976 1.00 0.00 C ATOM 759 CG ARG A 47 8.004 -9.059 -3.040 1.00 0.00 C ATOM 760 CD ARG A 47 8.074 -9.949 -4.282 1.00 0.00 C ATOM 761 NE ARG A 47 6.998 -10.938 -4.269 1.00 0.00 N ATOM 762 CZ ARG A 47 5.835 -10.692 -4.866 1.00 0.00 C ATOM 763 NH1 ARG A 47 5.725 -10.820 -6.159 1.00 0.00 N ATOM 764 NH2 ARG A 47 4.804 -10.323 -4.157 1.00 0.00 N ATOM 0 H ARG A 47 10.385 -5.534 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 47 9.226 -7.759 -5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.141 -8.780 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.247 -7.609 -2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.941 -9.675 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.103 -8.447 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.000 -9.336 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.039 -10.454 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 47 7.141 -11.830 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.531 -11.109 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.833 -10.631 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.890 -10.223 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.912 -10.134 -4.614 1.00 0.00 H new ATOM 778 N GLN A 48 6.920 -6.757 -4.670 1.00 0.00 N ATOM 779 CA GLN A 48 5.687 -5.977 -4.670 1.00 0.00 C ATOM 780 C GLN A 48 4.922 -6.179 -3.364 1.00 0.00 C ATOM 781 O GLN A 48 4.768 -7.305 -2.891 1.00 0.00 O ATOM 782 CB GLN A 48 4.792 -6.384 -5.843 1.00 0.00 C ATOM 783 CG GLN A 48 3.610 -5.418 -5.944 1.00 0.00 C ATOM 784 CD GLN A 48 2.433 -6.121 -6.611 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.271 -7.334 -6.478 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.594 -5.426 -7.328 1.00 0.00 N ATOM 0 H GLN A 48 6.853 -7.662 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 48 5.958 -4.926 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.364 -6.374 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.431 -7.403 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.325 -5.071 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.895 -4.537 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.728 -4.421 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.804 -5.888 -7.778 1.00 0.00 H new ATOM 795 N VAL A 49 4.444 -5.078 -2.784 1.00 0.00 N ATOM 796 CA VAL A 49 3.696 -5.163 -1.527 1.00 0.00 C ATOM 797 C VAL A 49 2.643 -4.064 -1.443 1.00 0.00 C ATOM 798 O VAL A 49 2.781 -3.006 -2.052 1.00 0.00 O ATOM 799 CB VAL A 49 4.631 -5.024 -0.323 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.508 -6.268 -0.201 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.518 -3.788 -0.504 1.00 0.00 C ATOM 0 H VAL A 49 4.557 -4.134 -3.154 1.00 0.00 H new ATOM 0 HA VAL A 49 3.213 -6.140 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 49 4.035 -4.916 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.171 -6.163 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.877 -7.146 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.103 -6.384 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.184 -3.689 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.110 -3.895 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.892 -2.899 -0.582 1.00 0.00 H new ATOM 811 N CYS A 50 1.600 -4.320 -0.657 1.00 0.00 N ATOM 812 CA CYS A 50 0.538 -3.339 -0.474 1.00 0.00 C ATOM 813 C CYS A 50 0.922 -2.407 0.666 1.00 0.00 C ATOM 814 O CYS A 50 1.245 -2.862 1.764 1.00 0.00 O ATOM 815 CB CYS A 50 -0.786 -4.030 -0.137 1.00 0.00 C ATOM 816 SG CYS A 50 -1.179 -5.249 -1.420 1.00 0.00 S ATOM 0 H CYS A 50 1.469 -5.191 -0.142 1.00 0.00 H new ATOM 0 HA CYS A 50 0.410 -2.777 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.716 -4.519 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.585 -3.292 -0.065 1.00 0.00 H new ATOM 821 N ILE A 51 0.901 -1.102 0.405 1.00 0.00 N ATOM 822 CA ILE A 51 1.273 -0.148 1.447 1.00 0.00 C ATOM 823 C ILE A 51 0.059 0.266 2.258 1.00 0.00 C ATOM 824 O ILE A 51 -1.070 0.262 1.766 1.00 0.00 O ATOM 825 CB ILE A 51 1.937 1.102 0.868 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.034 0.696 -0.120 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.563 1.896 2.016 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.645 1.949 -0.748 1.00 0.00 C ATOM 0 H ILE A 51 0.639 -0.690 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 51 1.991 -0.654 2.092 1.00 0.00 H new ATOM 0 HB ILE A 51 1.194 1.707 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.805 0.121 0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.619 0.053 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.042 2.792 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.787 2.182 2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.307 1.280 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.426 1.660 -1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.871 2.507 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.075 2.575 0.034 1.00 0.00 H new ATOM 840 N ASP A 52 0.307 0.607 3.517 1.00 0.00 N ATOM 841 CA ASP A 52 -0.768 1.007 4.412 1.00 0.00 C ATOM 842 C ASP A 52 -1.173 2.462 4.144 1.00 0.00 C ATOM 843 O ASP A 52 -0.316 3.307 3.882 1.00 0.00 O ATOM 844 CB ASP A 52 -0.315 0.868 5.873 1.00 0.00 C ATOM 845 CG ASP A 52 -1.421 0.219 6.700 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.629 -0.973 6.545 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.045 0.924 7.477 1.00 0.00 O ATOM 0 H ASP A 52 1.236 0.614 3.937 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.625 0.358 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.592 0.266 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.071 1.848 6.282 1.00 0.00 H new ATOM 852 N PRO A 53 -2.476 2.780 4.209 1.00 0.00 N ATOM 853 CA PRO A 53 -2.960 4.157 3.968 1.00 0.00 C ATOM 854 C PRO A 53 -2.697 5.087 5.152 1.00 0.00 C ATOM 855 O PRO A 53 -2.692 6.309 5.007 1.00 0.00 O ATOM 856 CB PRO A 53 -4.455 3.962 3.752 1.00 0.00 C ATOM 857 CG PRO A 53 -4.834 2.663 4.440 1.00 0.00 C ATOM 858 CD PRO A 53 -3.563 1.817 4.530 1.00 0.00 C ATOM 0 HA PRO A 53 -2.451 4.632 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.018 4.798 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.689 3.918 2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.239 2.857 5.433 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.607 2.140 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.437 1.388 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.584 0.987 3.824 1.00 0.00 H new ATOM 866 N LYS A 54 -2.479 4.496 6.326 1.00 0.00 N ATOM 867 CA LYS A 54 -2.218 5.287 7.522 1.00 0.00 C ATOM 868 C LYS A 54 -0.715 5.495 7.738 1.00 0.00 C ATOM 869 O LYS A 54 -0.293 5.933 8.808 1.00 0.00 O ATOM 870 CB LYS A 54 -2.805 4.596 8.755 1.00 0.00 C ATOM 871 CG LYS A 54 -4.239 5.079 8.978 1.00 0.00 C ATOM 872 CD LYS A 54 -4.932 4.170 9.995 1.00 0.00 C ATOM 873 CE LYS A 54 -4.313 4.382 11.377 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.684 3.246 12.267 1.00 0.00 N ATOM 0 H LYS A 54 -2.478 3.486 6.472 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.691 6.259 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.791 3.515 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.196 4.815 9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.236 6.108 9.337 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.787 5.072 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.999 4.389 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.829 3.127 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.229 4.454 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.663 5.322 11.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.263 3.390 13.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.719 3.197 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.329 2.357 11.861 1.00 0.00 H new ATOM 888 N LEU A 55 0.097 5.187 6.720 1.00 0.00 N ATOM 889 CA LEU A 55 1.541 5.366 6.847 1.00 0.00 C ATOM 890 C LEU A 55 1.866 6.844 7.021 1.00 0.00 C ATOM 891 O LEU A 55 1.057 7.716 6.702 1.00 0.00 O ATOM 892 CB LEU A 55 2.267 4.807 5.620 1.00 0.00 C ATOM 893 CG LEU A 55 2.857 3.429 5.950 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.508 2.831 4.699 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.904 3.563 7.064 1.00 0.00 C ATOM 0 H LEU A 55 -0.215 4.821 5.820 1.00 0.00 H new ATOM 0 HA LEU A 55 1.883 4.818 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.575 4.725 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.060 5.489 5.313 1.00 0.00 H new ATOM 0 HG LEU A 55 2.057 2.771 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.925 1.853 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.759 2.724 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.304 3.490 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.319 2.581 7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.703 4.227 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.435 3.976 7.957 1.00 0.00 H new ATOM 907 N LYS A 56 3.047 7.116 7.561 1.00 0.00 N ATOM 908 CA LYS A 56 3.460 8.488 7.812 1.00 0.00 C ATOM 909 C LYS A 56 3.837 9.212 6.530 1.00 0.00 C ATOM 910 O LYS A 56 3.540 10.396 6.368 1.00 0.00 O ATOM 911 CB LYS A 56 4.647 8.527 8.776 1.00 0.00 C ATOM 912 CG LYS A 56 4.217 7.981 10.139 1.00 0.00 C ATOM 913 CD LYS A 56 5.226 8.415 11.204 1.00 0.00 C ATOM 914 CE LYS A 56 5.108 7.499 12.423 1.00 0.00 C ATOM 915 NZ LYS A 56 5.415 8.275 13.658 1.00 0.00 N ATOM 0 H LYS A 56 3.731 6.409 7.832 1.00 0.00 H new ATOM 0 HA LYS A 56 2.606 8.997 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.471 7.934 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.011 9.549 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.223 8.349 10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.155 6.893 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.238 8.372 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.042 9.449 11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.102 7.083 12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.796 6.659 12.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.335 7.653 14.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.383 8.652 13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.742 9.062 13.750 1.00 0.00 H new ATOM 929 N TRP A 57 4.502 8.511 5.623 1.00 0.00 N ATOM 930 CA TRP A 57 4.900 9.142 4.372 1.00 0.00 C ATOM 931 C TRP A 57 3.780 9.063 3.348 1.00 0.00 C ATOM 932 O TRP A 57 3.662 9.928 2.476 1.00 0.00 O ATOM 933 CB TRP A 57 6.185 8.526 3.809 1.00 0.00 C ATOM 934 CG TRP A 57 6.000 7.081 3.455 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.084 6.037 4.316 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.729 6.506 2.146 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.909 4.862 3.605 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.683 5.101 2.268 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.525 7.069 0.877 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.449 4.280 1.168 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.281 6.246 -0.236 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.246 4.852 -0.089 1.00 0.00 C ATOM 0 H TRP A 57 4.772 7.532 5.723 1.00 0.00 H new ATOM 0 HA TRP A 57 5.103 10.191 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.496 9.080 2.924 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.986 8.621 4.543 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.258 6.110 5.379 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.943 3.932 4.021 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.556 8.142 0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.425 3.207 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.120 6.689 -1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.062 4.222 -0.947 1.00 0.00 H new ATOM 953 N ILE A 58 2.948 8.032 3.459 1.00 0.00 N ATOM 954 CA ILE A 58 1.848 7.892 2.531 1.00 0.00 C ATOM 955 C ILE A 58 0.692 8.806 2.934 1.00 0.00 C ATOM 956 O ILE A 58 -0.148 9.131 2.101 1.00 0.00 O ATOM 957 CB ILE A 58 1.397 6.420 2.414 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.493 5.669 1.606 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.012 6.321 1.724 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.915 4.548 0.728 1.00 0.00 C ATOM 0 H ILE A 58 3.016 7.301 4.167 1.00 0.00 H new ATOM 0 HA ILE A 58 2.191 8.200 1.543 1.00 0.00 H new ATOM 0 HB ILE A 58 1.282 5.969 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.027 6.381 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.222 5.245 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.285 5.275 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.726 6.869 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.072 6.750 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.723 4.057 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.405 3.819 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.206 4.972 0.017 1.00 0.00 H new ATOM 972 N GLN A 59 0.645 9.233 4.200 1.00 0.00 N ATOM 973 CA GLN A 59 -0.433 10.118 4.608 1.00 0.00 C ATOM 974 C GLN A 59 -0.277 11.465 3.910 1.00 0.00 C ATOM 975 O GLN A 59 -1.261 12.137 3.610 1.00 0.00 O ATOM 976 CB GLN A 59 -0.480 10.311 6.128 1.00 0.00 C ATOM 977 CG GLN A 59 0.868 10.819 6.639 1.00 0.00 C ATOM 978 CD GLN A 59 0.645 11.833 7.756 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.201 12.720 7.638 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.359 11.754 8.845 1.00 0.00 N ATOM 0 H GLN A 59 1.315 8.989 4.929 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.375 9.655 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.266 11.020 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.729 9.368 6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.466 9.985 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.427 11.278 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.060 11.019 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.216 12.427 9.598 1.00 0.00 H new ATOM 989 N GLU A 60 0.972 11.841 3.623 1.00 0.00 N ATOM 990 CA GLU A 60 1.231 13.095 2.925 1.00 0.00 C ATOM 991 C GLU A 60 0.975 12.902 1.433 1.00 0.00 C ATOM 992 O GLU A 60 0.474 13.792 0.747 1.00 0.00 O ATOM 993 CB GLU A 60 2.680 13.542 3.134 1.00 0.00 C ATOM 994 CG GLU A 60 2.780 14.366 4.419 1.00 0.00 C ATOM 995 CD GLU A 60 4.162 14.183 5.036 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.129 14.213 4.293 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.233 14.016 6.242 1.00 0.00 O ATOM 0 H GLU A 60 1.805 11.302 3.860 1.00 0.00 H new ATOM 0 HA GLU A 60 0.567 13.861 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.335 12.673 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.015 14.134 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.604 15.420 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.011 14.053 5.125 1.00 0.00 H new ATOM 1004 N TYR A 61 1.318 11.708 0.951 1.00 0.00 N ATOM 1005 CA TYR A 61 1.121 11.365 -0.455 1.00 0.00 C ATOM 1006 C TYR A 61 -0.377 11.292 -0.762 1.00 0.00 C ATOM 1007 O TYR A 61 -0.872 11.933 -1.689 1.00 0.00 O ATOM 1008 CB TYR A 61 1.818 10.008 -0.749 1.00 0.00 C ATOM 1009 CG TYR A 61 1.195 9.273 -1.924 1.00 0.00 C ATOM 1010 CD1 TYR A 61 0.940 9.946 -3.125 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.872 7.918 -1.797 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.361 9.259 -4.200 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.294 7.233 -2.869 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.039 7.902 -4.073 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.532 7.225 -5.130 1.00 0.00 O ATOM 0 H TYR A 61 1.733 10.964 1.513 1.00 0.00 H new ATOM 0 HA TYR A 61 1.562 12.130 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.874 10.183 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.766 9.377 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.189 10.992 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.069 7.401 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.163 9.776 -5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.044 6.187 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.690 6.292 -4.874 1.00 0.00 H new ATOM 1025 N LEU A 62 -1.083 10.492 0.025 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.514 10.323 -0.166 1.00 0.00 C ATOM 1027 C LEU A 62 -3.247 11.647 0.052 1.00 0.00 C ATOM 1028 O LEU A 62 -4.327 11.868 -0.496 1.00 0.00 O ATOM 1029 CB LEU A 62 -3.043 9.258 0.805 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.871 8.203 0.053 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -5.063 8.865 -0.641 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -2.995 7.507 -0.994 1.00 0.00 C ATOM 0 H LEU A 62 -0.690 9.953 0.797 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.695 9.997 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.209 8.777 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.656 9.730 1.572 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.237 7.468 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.642 8.108 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.694 9.350 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.703 9.609 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.586 6.760 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.621 8.245 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.154 7.020 -0.500 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.643 12.531 0.846 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.251 13.834 1.109 1.00 0.00 C ATOM 1046 C GLU A 63 -3.203 14.696 -0.152 1.00 0.00 C ATOM 1047 O GLU A 63 -4.088 15.516 -0.395 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.516 14.558 2.242 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.255 15.852 2.596 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.697 16.417 3.898 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.511 16.694 3.941 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -3.467 16.563 4.834 1.00 0.00 O ATOM 0 H GLU A 63 -1.749 12.373 1.311 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.287 13.672 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.454 13.913 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.494 14.784 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.141 16.580 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.322 15.657 2.700 1.00 0.00 H new ATOM 1059 N LYS A 64 -2.160 14.492 -0.953 1.00 0.00 N ATOM 1060 CA LYS A 64 -2.001 15.243 -2.193 1.00 0.00 C ATOM 1061 C LYS A 64 -2.855 14.621 -3.292 1.00 0.00 C ATOM 1062 O LYS A 64 -3.358 15.313 -4.176 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.536 15.243 -2.637 1.00 0.00 C ATOM 1064 CG LYS A 64 -0.354 16.214 -3.807 1.00 0.00 C ATOM 1065 CD LYS A 64 -0.428 15.445 -5.128 1.00 0.00 C ATOM 1066 CE LYS A 64 0.179 16.293 -6.248 1.00 0.00 C ATOM 1067 NZ LYS A 64 -0.886 17.125 -6.873 1.00 0.00 N ATOM 0 H LYS A 64 -1.418 13.818 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.321 16.270 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.106 15.534 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.236 14.238 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.126 16.983 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.606 16.723 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.109 14.500 -5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.465 15.203 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.967 16.932 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.639 15.649 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.474 17.702 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.623 16.506 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.306 17.749 -6.155 1.00 0.00 H new ATOM 1081 N ALA A 65 -3.019 13.301 -3.217 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.824 12.586 -4.201 1.00 0.00 C ATOM 1083 C ALA A 65 -5.234 12.341 -3.664 1.00 0.00 C ATOM 1084 O ALA A 65 -5.893 11.369 -4.034 1.00 0.00 O ATOM 1085 CB ALA A 65 -3.178 11.241 -4.542 1.00 0.00 C ATOM 0 H ALA A 65 -2.609 12.712 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.882 13.200 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.790 10.719 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.182 11.409 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.101 10.635 -3.639 1.00 0.00 H new ATOM 1091 N LEU A 66 -5.691 13.239 -2.785 1.00 0.00 N ATOM 1092 CA LEU A 66 -7.027 13.118 -2.196 1.00 0.00 C ATOM 1093 C LEU A 66 -7.102 11.891 -1.292 1.00 0.00 C ATOM 1094 O LEU A 66 -6.720 10.788 -1.682 1.00 0.00 O ATOM 1095 CB LEU A 66 -8.104 13.014 -3.295 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.859 14.346 -3.436 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -9.559 14.689 -2.119 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -7.877 15.465 -3.800 1.00 0.00 C ATOM 0 H LEU A 66 -5.160 14.050 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.214 14.014 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.639 12.751 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.805 12.216 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.604 14.249 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.092 15.634 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.267 13.899 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.817 14.778 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.418 16.406 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.125 15.559 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.388 15.227 -4.745 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.601 12.101 -0.076 1.00 0.00 N ATOM 1111 CA ASN A 67 -7.729 11.011 0.887 1.00 0.00 C ATOM 1112 C ASN A 67 -8.658 9.927 0.350 1.00 0.00 C ATOM 1113 O ASN A 67 -9.302 10.172 -0.657 1.00 0.00 O ATOM 1114 CB ASN A 67 -8.284 11.530 2.215 1.00 0.00 C ATOM 1115 CG ASN A 67 -9.583 12.289 1.963 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -9.636 13.180 1.114 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -10.646 11.989 2.659 1.00 0.00 N ATOM 1118 OXT ASN A 67 -8.713 8.868 0.954 1.00 0.00 O ATOM 0 H ASN A 67 -7.921 13.008 0.264 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.737 10.590 1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.463 10.698 2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.556 12.184 2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.519 12.492 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.604 11.251 3.362 1.00 0.00 H new TER 1125 ASN A 67