USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 37 THR OG1 : rot 180:sc= 0.00845 USER MOD Set 1.2: A 41 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.7!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 165:sc= -0.796 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00978) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.458 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.62! C(o=-1.6!,f=-5.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= -0.0663 (180deg=-0.398) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= 0.728 (180deg=-0.19) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.245 X(o=0.24,f=-0.037) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.0387 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0422 K(o=-0.042,f=-2.6!) USER MOD Single : A 50 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 0.816 -2.223 -1.921 1.00 20.33 N ATOM 12 CA LYS A 2 0.659 -3.506 -2.595 1.00 61.43 C ATOM 13 C LYS A 2 -0.605 -3.522 -3.448 1.00 53.54 C ATOM 14 O LYS A 2 -1.715 -3.383 -2.933 1.00 41.43 O ATOM 15 CB LYS A 2 0.609 -4.642 -1.571 1.00 3.15 C ATOM 16 CG LYS A 2 1.658 -5.716 -1.802 1.00 34.41 C ATOM 17 CD LYS A 2 1.415 -6.931 -0.921 1.00 4.40 C ATOM 18 CE LYS A 2 2.701 -7.407 -0.262 1.00 41.43 C ATOM 19 NZ LYS A 2 2.802 -6.950 1.152 1.00 40.25 N ATOM 0 HA LYS A 2 1.519 -3.651 -3.248 1.00 61.43 H new ATOM 0 HB2 LYS A 2 0.741 -4.226 -0.572 1.00 3.15 H new ATOM 0 HB3 LYS A 2 -0.380 -5.100 -1.597 1.00 3.15 H new ATOM 0 HG2 LYS A 2 1.647 -6.017 -2.850 1.00 34.41 H new ATOM 0 HG3 LYS A 2 2.648 -5.309 -1.597 1.00 34.41 H new ATOM 0 HD2 LYS A 2 0.681 -6.685 -0.154 1.00 4.40 H new ATOM 0 HD3 LYS A 2 0.992 -7.737 -1.520 1.00 4.40 H new ATOM 0 HE2 LYS A 2 2.745 -8.496 -0.296 1.00 41.43 H new ATOM 0 HE3 LYS A 2 3.557 -7.036 -0.826 1.00 41.43 H new ATOM 0 HZ1 LYS A 2 3.692 -7.295 1.566 1.00 40.25 H new ATOM 0 HZ2 LYS A 2 2.786 -5.911 1.183 1.00 40.25 H new ATOM 0 HZ3 LYS A 2 1.999 -7.325 1.696 1.00 40.25 H new ATOM 33 N TYR A 3 -0.430 -3.692 -4.754 1.00 73.30 N ATOM 34 CA TYR A 3 -1.557 -3.725 -5.678 1.00 55.24 C ATOM 35 C TYR A 3 -1.749 -5.124 -6.255 1.00 61.21 C ATOM 36 O TYR A 3 -0.793 -5.764 -6.697 1.00 15.44 O ATOM 37 CB TYR A 3 -1.344 -2.719 -6.811 1.00 34.00 C ATOM 38 CG TYR A 3 -1.321 -1.280 -6.347 1.00 33.22 C ATOM 39 CD1 TYR A 3 -2.434 -0.706 -5.745 1.00 75.10 C ATOM 40 CD2 TYR A 3 -0.187 -0.495 -6.511 1.00 12.43 C ATOM 41 CE1 TYR A 3 -2.418 0.608 -5.320 1.00 14.21 C ATOM 42 CE2 TYR A 3 -0.162 0.820 -6.087 1.00 43.04 C ATOM 43 CZ TYR A 3 -1.280 1.367 -5.493 1.00 24.02 C ATOM 44 OH TYR A 3 -1.259 2.677 -5.071 1.00 64.40 O ATOM 0 H TYR A 3 0.482 -3.809 -5.196 1.00 73.30 H new ATOM 0 HA TYR A 3 -2.456 -3.454 -5.124 1.00 55.24 H new ATOM 0 HB2 TYR A 3 -0.404 -2.945 -7.314 1.00 34.00 H new ATOM 0 HB3 TYR A 3 -2.137 -2.842 -7.548 1.00 34.00 H new ATOM 0 HD1 TYR A 3 -3.327 -1.298 -5.607 1.00 75.10 H new ATOM 0 HD2 TYR A 3 0.690 -0.919 -6.978 1.00 12.43 H new ATOM 0 HE1 TYR A 3 -3.292 1.039 -4.855 1.00 14.21 H new ATOM 0 HE2 TYR A 3 0.729 1.416 -6.220 1.00 43.04 H new ATOM 0 HH TYR A 3 -0.333 2.996 -5.042 1.00 64.40 H new ATOM 54 N THR A 4 -2.992 -5.595 -6.249 1.00 13.14 N ATOM 55 CA THR A 4 -3.311 -6.918 -6.770 1.00 14.12 C ATOM 56 C THR A 4 -3.861 -6.832 -8.189 1.00 51.10 C ATOM 57 O THR A 4 -4.824 -6.112 -8.450 1.00 10.14 O ATOM 58 CB THR A 4 -4.337 -7.641 -5.877 1.00 34.00 C ATOM 59 OG1 THR A 4 -4.586 -6.872 -4.695 1.00 21.33 O ATOM 60 CG2 THR A 4 -3.839 -9.026 -5.492 1.00 41.21 C ATOM 0 H THR A 4 -3.795 -5.079 -5.889 1.00 13.14 H new ATOM 0 HA THR A 4 -2.382 -7.487 -6.777 1.00 14.12 H new ATOM 0 HB THR A 4 -5.263 -7.750 -6.441 1.00 34.00 H new ATOM 0 HG1 THR A 4 -5.241 -7.338 -4.134 1.00 21.33 H new ATOM 0 HG21 THR A 4 -4.580 -9.517 -4.862 1.00 41.21 H new ATOM 0 HG22 THR A 4 -3.679 -9.619 -6.393 1.00 41.21 H new ATOM 0 HG23 THR A 4 -2.900 -8.936 -4.945 1.00 41.21 H new ATOM 68 N GLY A 5 -3.243 -7.572 -9.104 1.00 62.14 N ATOM 69 CA GLY A 5 -3.685 -7.565 -10.486 1.00 72.25 C ATOM 70 C GLY A 5 -3.686 -8.950 -11.102 1.00 33.41 C ATOM 71 O GLY A 5 -3.030 -9.863 -10.598 1.00 52.55 O ATOM 0 H GLY A 5 -2.444 -8.176 -8.913 1.00 62.14 H new ATOM 0 HA2 GLY A 5 -4.690 -7.146 -10.541 1.00 72.25 H new ATOM 0 HA3 GLY A 5 -3.035 -6.912 -11.069 1.00 72.25 H new ATOM 75 N LYS A 6 -4.426 -9.110 -12.194 1.00 34.43 N ATOM 76 CA LYS A 6 -4.512 -10.394 -12.880 1.00 24.35 C ATOM 77 C LYS A 6 -3.914 -10.304 -14.280 1.00 1.20 C ATOM 78 O LYS A 6 -4.024 -9.275 -14.948 1.00 4.04 O ATOM 79 CB LYS A 6 -5.969 -10.855 -12.964 1.00 45.00 C ATOM 80 CG LYS A 6 -6.656 -10.949 -11.613 1.00 20.41 C ATOM 81 CD LYS A 6 -7.778 -9.933 -11.486 1.00 12.00 C ATOM 82 CE LYS A 6 -9.078 -10.461 -12.074 1.00 21.34 C ATOM 83 NZ LYS A 6 -9.832 -9.400 -12.796 1.00 42.32 N ATOM 0 H LYS A 6 -4.975 -8.366 -12.623 1.00 34.43 H new ATOM 0 HA LYS A 6 -3.940 -11.123 -12.306 1.00 24.35 H new ATOM 0 HB2 LYS A 6 -6.524 -10.163 -13.597 1.00 45.00 H new ATOM 0 HB3 LYS A 6 -6.005 -11.830 -13.449 1.00 45.00 H new ATOM 0 HG2 LYS A 6 -7.057 -11.954 -11.477 1.00 20.41 H new ATOM 0 HG3 LYS A 6 -5.926 -10.787 -10.820 1.00 20.41 H new ATOM 0 HD2 LYS A 6 -7.927 -9.684 -10.435 1.00 12.00 H new ATOM 0 HD3 LYS A 6 -7.495 -9.012 -11.995 1.00 12.00 H new ATOM 0 HE2 LYS A 6 -8.860 -11.281 -12.758 1.00 21.34 H new ATOM 0 HE3 LYS A 6 -9.699 -10.868 -11.276 1.00 21.34 H new ATOM 0 HZ1 LYS A 6 -10.711 -9.800 -13.182 1.00 42.32 H new ATOM 0 HZ2 LYS A 6 -10.062 -8.629 -12.138 1.00 42.32 H new ATOM 0 HZ3 LYS A 6 -9.250 -9.029 -13.574 1.00 42.32 H new ATOM 97 N CYS A 7 -3.283 -11.387 -14.720 1.00 63.21 N ATOM 98 CA CYS A 7 -2.668 -11.431 -16.041 1.00 75.05 C ATOM 99 C CYS A 7 -3.208 -12.605 -16.853 1.00 52.15 C ATOM 100 O CYS A 7 -3.723 -13.575 -16.297 1.00 73.41 O ATOM 101 CB CYS A 7 -1.148 -11.540 -15.917 1.00 5.45 C ATOM 102 SG CYS A 7 -0.560 -13.181 -15.389 1.00 70.44 S ATOM 0 H CYS A 7 -3.184 -12.247 -14.180 1.00 63.21 H new ATOM 0 HA CYS A 7 -2.917 -10.506 -16.561 1.00 75.05 H new ATOM 0 HB2 CYS A 7 -0.697 -11.297 -16.879 1.00 5.45 H new ATOM 0 HB3 CYS A 7 -0.798 -10.794 -15.204 1.00 5.45 H new ATOM 107 N THR A 8 -3.086 -12.510 -18.174 1.00 13.20 N ATOM 108 CA THR A 8 -3.562 -13.562 -19.063 1.00 41.02 C ATOM 109 C THR A 8 -2.406 -14.415 -19.574 1.00 11.25 C ATOM 110 O THR A 8 -1.282 -13.933 -19.719 1.00 33.31 O ATOM 111 CB THR A 8 -4.325 -12.978 -20.267 1.00 44.22 C ATOM 112 OG1 THR A 8 -4.188 -11.553 -20.289 1.00 43.52 O ATOM 113 CG2 THR A 8 -5.798 -13.350 -20.207 1.00 14.15 C ATOM 0 H THR A 8 -2.661 -11.715 -18.651 1.00 13.20 H new ATOM 0 HA THR A 8 -4.240 -14.185 -18.480 1.00 41.02 H new ATOM 0 HB THR A 8 -3.898 -13.398 -21.178 1.00 44.22 H new ATOM 0 HG1 THR A 8 -4.674 -11.189 -21.058 1.00 43.52 H new ATOM 0 HG21 THR A 8 -6.316 -12.926 -21.068 1.00 14.15 H new ATOM 0 HG22 THR A 8 -5.900 -14.435 -20.220 1.00 14.15 H new ATOM 0 HG23 THR A 8 -6.236 -12.956 -19.290 1.00 14.15 H new ATOM 121 N LYS A 9 -2.689 -15.684 -19.845 1.00 64.31 N ATOM 122 CA LYS A 9 -1.673 -16.605 -20.342 1.00 31.33 C ATOM 123 C LYS A 9 -1.399 -16.365 -21.823 1.00 24.41 C ATOM 124 O LYS A 9 -0.320 -16.684 -22.324 1.00 11.15 O ATOM 125 CB LYS A 9 -2.117 -18.053 -20.123 1.00 34.35 C ATOM 126 CG LYS A 9 -1.043 -19.075 -20.451 1.00 20.52 C ATOM 127 CD LYS A 9 -1.647 -20.384 -20.934 1.00 3.51 C ATOM 128 CE LYS A 9 -0.601 -21.485 -21.012 1.00 43.13 C ATOM 129 NZ LYS A 9 -1.204 -22.836 -20.845 1.00 52.02 N ATOM 0 H LYS A 9 -3.614 -16.099 -19.729 1.00 64.31 H new ATOM 0 HA LYS A 9 -0.753 -16.425 -19.786 1.00 31.33 H new ATOM 0 HB2 LYS A 9 -2.420 -18.178 -19.083 1.00 34.35 H new ATOM 0 HB3 LYS A 9 -2.995 -18.252 -20.737 1.00 34.35 H new ATOM 0 HG2 LYS A 9 -0.380 -18.674 -21.218 1.00 20.52 H new ATOM 0 HG3 LYS A 9 -0.433 -19.259 -19.567 1.00 20.52 H new ATOM 0 HD2 LYS A 9 -2.447 -20.688 -20.259 1.00 3.51 H new ATOM 0 HD3 LYS A 9 -2.097 -20.238 -21.916 1.00 3.51 H new ATOM 0 HE2 LYS A 9 -0.089 -21.432 -21.973 1.00 43.13 H new ATOM 0 HE3 LYS A 9 0.152 -21.326 -20.240 1.00 43.13 H new ATOM 0 HZ1 LYS A 9 -0.458 -23.559 -20.904 1.00 52.02 H new ATOM 0 HZ2 LYS A 9 -1.671 -22.896 -19.918 1.00 52.02 H new ATOM 0 HZ3 LYS A 9 -1.905 -22.999 -21.596 1.00 52.02 H new ATOM 143 N SER A 10 -2.381 -15.801 -22.518 1.00 43.23 N ATOM 144 CA SER A 10 -2.245 -15.520 -23.943 1.00 33.32 C ATOM 145 C SER A 10 -1.533 -14.191 -24.169 1.00 44.53 C ATOM 146 O SER A 10 -0.612 -14.096 -24.981 1.00 61.13 O ATOM 147 CB SER A 10 -3.621 -15.495 -24.612 1.00 62.22 C ATOM 148 OG SER A 10 -4.631 -15.926 -23.717 1.00 74.43 O ATOM 0 H SER A 10 -3.279 -15.530 -22.118 1.00 43.23 H new ATOM 0 HA SER A 10 -1.646 -16.313 -24.390 1.00 33.32 H new ATOM 0 HB2 SER A 10 -3.843 -14.485 -24.957 1.00 62.22 H new ATOM 0 HB3 SER A 10 -3.613 -16.138 -25.492 1.00 62.22 H new ATOM 0 HG SER A 10 -5.501 -15.899 -24.168 1.00 74.43 H new ATOM 154 N LYS A 11 -1.965 -13.164 -23.445 1.00 51.12 N ATOM 155 CA LYS A 11 -1.370 -11.838 -23.564 1.00 64.31 C ATOM 156 C LYS A 11 -0.169 -11.696 -22.634 1.00 41.12 C ATOM 157 O LYS A 11 0.633 -10.775 -22.778 1.00 44.52 O ATOM 158 CB LYS A 11 -2.407 -10.760 -23.243 1.00 51.14 C ATOM 159 CG LYS A 11 -2.221 -9.480 -24.041 1.00 22.55 C ATOM 160 CD LYS A 11 -3.330 -9.294 -25.062 1.00 44.34 C ATOM 161 CE LYS A 11 -4.648 -8.936 -24.395 1.00 15.33 C ATOM 162 NZ LYS A 11 -5.618 -8.350 -25.361 1.00 75.10 N ATOM 0 H LYS A 11 -2.726 -13.225 -22.769 1.00 51.12 H new ATOM 0 HA LYS A 11 -1.029 -11.711 -24.592 1.00 64.31 H new ATOM 0 HB2 LYS A 11 -3.403 -11.157 -23.436 1.00 51.14 H new ATOM 0 HB3 LYS A 11 -2.358 -10.526 -22.180 1.00 51.14 H new ATOM 0 HG2 LYS A 11 -2.203 -8.627 -23.363 1.00 22.55 H new ATOM 0 HG3 LYS A 11 -1.257 -9.504 -24.550 1.00 22.55 H new ATOM 0 HD2 LYS A 11 -3.051 -8.508 -25.764 1.00 44.34 H new ATOM 0 HD3 LYS A 11 -3.451 -10.210 -25.640 1.00 44.34 H new ATOM 0 HE2 LYS A 11 -5.080 -9.829 -23.943 1.00 15.33 H new ATOM 0 HE3 LYS A 11 -4.466 -8.226 -23.588 1.00 15.33 H new ATOM 0 HZ1 LYS A 11 -6.504 -8.120 -24.867 1.00 75.10 H new ATOM 0 HZ2 LYS A 11 -5.217 -7.484 -25.774 1.00 75.10 H new ATOM 0 HZ3 LYS A 11 -5.812 -9.037 -26.118 1.00 75.10 H new ATOM 176 N ASN A 12 -0.052 -12.615 -21.681 1.00 64.25 N ATOM 177 CA ASN A 12 1.052 -12.592 -20.729 1.00 3.13 C ATOM 178 C ASN A 12 1.226 -11.199 -20.131 1.00 42.24 C ATOM 179 O ASN A 12 2.341 -10.783 -19.816 1.00 35.43 O ATOM 180 CB ASN A 12 2.350 -13.033 -21.409 1.00 11.00 C ATOM 181 CG ASN A 12 3.125 -14.038 -20.579 1.00 71.32 C ATOM 182 OD1 ASN A 12 2.638 -15.133 -20.297 1.00 23.32 O ATOM 183 ND2 ASN A 12 4.338 -13.669 -20.184 1.00 71.42 N ATOM 0 H ASN A 12 -0.708 -13.385 -21.548 1.00 64.25 H new ATOM 0 HA ASN A 12 0.818 -13.288 -19.923 1.00 3.13 H new ATOM 0 HB2 ASN A 12 2.118 -13.470 -22.380 1.00 11.00 H new ATOM 0 HB3 ASN A 12 2.975 -12.159 -21.594 1.00 11.00 H new ATOM 0 HD21 ASN A 12 4.907 -14.303 -19.623 1.00 71.42 H new ATOM 0 HD22 ASN A 12 4.701 -12.751 -20.441 1.00 71.42 H new ATOM 190 N GLU A 13 0.116 -10.483 -19.979 1.00 62.34 N ATOM 191 CA GLU A 13 0.147 -9.137 -19.420 1.00 53.12 C ATOM 192 C GLU A 13 -0.775 -9.030 -18.209 1.00 14.11 C ATOM 193 O GLU A 13 -1.896 -9.539 -18.221 1.00 33.53 O ATOM 194 CB GLU A 13 -0.263 -8.111 -20.479 1.00 73.42 C ATOM 195 CG GLU A 13 -0.255 -6.678 -19.974 1.00 63.42 C ATOM 196 CD GLU A 13 -1.114 -5.757 -20.818 1.00 35.31 C ATOM 197 OE1 GLU A 13 -2.349 -5.945 -20.833 1.00 23.50 O ATOM 198 OE2 GLU A 13 -0.552 -4.848 -21.463 1.00 50.22 O ATOM 0 H GLU A 13 -0.815 -10.813 -20.235 1.00 62.34 H new ATOM 0 HA GLU A 13 1.167 -8.928 -19.098 1.00 53.12 H new ATOM 0 HB2 GLU A 13 0.413 -8.191 -21.331 1.00 73.42 H new ATOM 0 HB3 GLU A 13 -1.262 -8.354 -20.841 1.00 73.42 H new ATOM 0 HG2 GLU A 13 -0.611 -6.658 -18.944 1.00 63.42 H new ATOM 0 HG3 GLU A 13 0.769 -6.306 -19.965 1.00 63.42 H new ATOM 205 N CYS A 14 -0.295 -8.364 -17.164 1.00 60.02 N ATOM 206 CA CYS A 14 -1.074 -8.190 -15.944 1.00 4.10 C ATOM 207 C CYS A 14 -1.776 -6.835 -15.936 1.00 33.43 C ATOM 208 O CYS A 14 -1.459 -5.954 -16.735 1.00 15.12 O ATOM 209 CB CYS A 14 -0.170 -8.316 -14.715 1.00 53.35 C ATOM 210 SG CYS A 14 -1.024 -8.919 -13.224 1.00 30.24 S ATOM 0 H CYS A 14 0.630 -7.936 -17.138 1.00 60.02 H new ATOM 0 HA CYS A 14 -1.832 -8.973 -15.911 1.00 4.10 H new ATOM 0 HB2 CYS A 14 0.651 -8.993 -14.949 1.00 53.35 H new ATOM 0 HB3 CYS A 14 0.271 -7.343 -14.500 1.00 53.35 H new ATOM 215 N LYS A 15 -2.732 -6.677 -15.027 1.00 12.44 N ATOM 216 CA LYS A 15 -3.480 -5.430 -14.912 1.00 22.15 C ATOM 217 C LYS A 15 -3.892 -5.174 -13.465 1.00 63.33 C ATOM 218 O LYS A 15 -4.495 -6.032 -12.821 1.00 33.24 O ATOM 219 CB LYS A 15 -4.720 -5.471 -15.807 1.00 34.04 C ATOM 220 CG LYS A 15 -5.765 -6.476 -15.353 1.00 13.55 C ATOM 221 CD LYS A 15 -6.835 -5.819 -14.496 1.00 41.10 C ATOM 222 CE LYS A 15 -8.060 -5.451 -15.319 1.00 41.11 C ATOM 223 NZ LYS A 15 -7.997 -4.046 -15.810 1.00 22.41 N ATOM 0 H LYS A 15 -3.007 -7.397 -14.359 1.00 12.44 H new ATOM 0 HA LYS A 15 -2.832 -4.615 -15.236 1.00 22.15 H new ATOM 0 HB2 LYS A 15 -5.170 -4.479 -15.835 1.00 34.04 H new ATOM 0 HB3 LYS A 15 -4.415 -5.712 -16.825 1.00 34.04 H new ATOM 0 HG2 LYS A 15 -6.229 -6.939 -16.224 1.00 13.55 H new ATOM 0 HG3 LYS A 15 -5.283 -7.273 -14.787 1.00 13.55 H new ATOM 0 HD2 LYS A 15 -7.125 -6.496 -13.692 1.00 41.10 H new ATOM 0 HD3 LYS A 15 -6.428 -4.923 -14.027 1.00 41.10 H new ATOM 0 HE2 LYS A 15 -8.144 -6.129 -16.168 1.00 41.11 H new ATOM 0 HE3 LYS A 15 -8.957 -5.585 -14.715 1.00 41.11 H new ATOM 0 HZ1 LYS A 15 -8.872 -3.818 -16.323 1.00 22.41 H new ATOM 0 HZ2 LYS A 15 -7.891 -3.400 -15.002 1.00 22.41 H new ATOM 0 HZ3 LYS A 15 -7.183 -3.938 -16.449 1.00 22.41 H new ATOM 237 N TYR A 16 -3.563 -3.990 -12.962 1.00 52.42 N ATOM 238 CA TYR A 16 -3.898 -3.622 -11.592 1.00 14.42 C ATOM 239 C TYR A 16 -4.223 -2.134 -11.491 1.00 30.41 C ATOM 240 O TYR A 16 -3.912 -1.356 -12.392 1.00 42.25 O ATOM 241 CB TYR A 16 -2.743 -3.968 -10.651 1.00 43.34 C ATOM 242 CG TYR A 16 -1.511 -3.117 -10.867 1.00 33.13 C ATOM 243 CD1 TYR A 16 -0.545 -3.481 -11.797 1.00 15.42 C ATOM 244 CD2 TYR A 16 -1.314 -1.949 -10.140 1.00 54.03 C ATOM 245 CE1 TYR A 16 0.581 -2.707 -11.996 1.00 43.21 C ATOM 246 CE2 TYR A 16 -0.191 -1.168 -10.334 1.00 73.10 C ATOM 247 CZ TYR A 16 0.754 -1.551 -11.263 1.00 32.54 C ATOM 248 OH TYR A 16 1.874 -0.777 -11.459 1.00 62.12 O ATOM 0 H TYR A 16 -3.064 -3.268 -13.483 1.00 52.42 H new ATOM 0 HA TYR A 16 -4.781 -4.189 -11.296 1.00 14.42 H new ATOM 0 HB2 TYR A 16 -3.078 -3.853 -9.620 1.00 43.34 H new ATOM 0 HB3 TYR A 16 -2.478 -5.017 -10.785 1.00 43.34 H new ATOM 0 HD1 TYR A 16 -0.677 -4.384 -12.374 1.00 15.42 H new ATOM 0 HD2 TYR A 16 -2.051 -1.647 -9.411 1.00 54.03 H new ATOM 0 HE1 TYR A 16 1.323 -3.005 -12.722 1.00 43.21 H new ATOM 0 HE2 TYR A 16 -0.054 -0.263 -9.761 1.00 73.10 H new ATOM 0 HH TYR A 16 1.842 0.002 -10.865 1.00 62.12 H new ATOM 258 N LYS A 17 -4.851 -1.746 -10.386 1.00 62.21 N ATOM 259 CA LYS A 17 -5.217 -0.353 -10.163 1.00 53.31 C ATOM 260 C LYS A 17 -4.179 0.351 -9.295 1.00 31.22 C ATOM 261 O LYS A 17 -3.846 -0.117 -8.207 1.00 74.40 O ATOM 262 CB LYS A 17 -6.595 -0.266 -9.501 1.00 45.35 C ATOM 263 CG LYS A 17 -7.747 -0.494 -10.464 1.00 12.31 C ATOM 264 CD LYS A 17 -9.078 -0.567 -9.733 1.00 44.44 C ATOM 265 CE LYS A 17 -9.462 -2.004 -9.417 1.00 43.10 C ATOM 266 NZ LYS A 17 -10.723 -2.080 -8.628 1.00 64.34 N ATOM 0 H LYS A 17 -5.117 -2.378 -9.631 1.00 62.21 H new ATOM 0 HA LYS A 17 -5.253 0.146 -11.131 1.00 53.31 H new ATOM 0 HB2 LYS A 17 -6.651 -1.003 -8.700 1.00 45.35 H new ATOM 0 HB3 LYS A 17 -6.706 0.716 -9.040 1.00 45.35 H new ATOM 0 HG2 LYS A 17 -7.776 0.313 -11.196 1.00 12.31 H new ATOM 0 HG3 LYS A 17 -7.583 -1.419 -11.017 1.00 12.31 H new ATOM 0 HD2 LYS A 17 -9.018 0.007 -8.808 1.00 44.44 H new ATOM 0 HD3 LYS A 17 -9.855 -0.107 -10.343 1.00 44.44 H new ATOM 0 HE2 LYS A 17 -9.581 -2.561 -10.346 1.00 43.10 H new ATOM 0 HE3 LYS A 17 -8.656 -2.481 -8.860 1.00 43.10 H new ATOM 0 HZ1 LYS A 17 -10.951 -3.076 -8.433 1.00 64.34 H new ATOM 0 HZ2 LYS A 17 -10.602 -1.570 -7.730 1.00 64.34 H new ATOM 0 HZ3 LYS A 17 -11.498 -1.647 -9.170 1.00 64.34 H new ATOM 280 N ASN A 18 -3.672 1.478 -9.783 1.00 12.32 N ATOM 281 CA ASN A 18 -2.672 2.247 -9.050 1.00 74.22 C ATOM 282 C ASN A 18 -3.317 3.032 -7.912 1.00 43.41 C ATOM 283 O ASN A 18 -4.500 2.861 -7.617 1.00 64.33 O ATOM 284 CB ASN A 18 -1.941 3.203 -9.995 1.00 20.23 C ATOM 285 CG ASN A 18 -2.710 4.490 -10.224 1.00 60.54 C ATOM 286 OD1 ASN A 18 -2.319 5.553 -9.744 1.00 13.52 O ATOM 287 ND2 ASN A 18 -3.810 4.397 -10.962 1.00 52.33 N ATOM 0 H ASN A 18 -3.937 1.879 -10.683 1.00 12.32 H new ATOM 0 HA ASN A 18 -1.953 1.548 -8.623 1.00 74.22 H new ATOM 0 HB2 ASN A 18 -0.960 3.438 -9.582 1.00 20.23 H new ATOM 0 HB3 ASN A 18 -1.774 2.707 -10.951 1.00 20.23 H new ATOM 0 HD21 ASN A 18 -4.369 5.229 -11.151 1.00 52.33 H new ATOM 0 HD22 ASN A 18 -4.096 3.494 -11.340 1.00 52.33 H new ATOM 294 N ASP A 19 -2.531 3.895 -7.277 1.00 23.42 N ATOM 295 CA ASP A 19 -3.024 4.709 -6.172 1.00 33.50 C ATOM 296 C ASP A 19 -4.242 5.522 -6.598 1.00 51.43 C ATOM 297 O ASP A 19 -5.176 5.714 -5.820 1.00 51.13 O ATOM 298 CB ASP A 19 -1.923 5.642 -5.666 1.00 71.14 C ATOM 299 CG ASP A 19 -1.593 6.739 -6.659 1.00 54.31 C ATOM 300 OD1 ASP A 19 -0.766 6.494 -7.561 1.00 61.33 O ATOM 301 OD2 ASP A 19 -2.162 7.844 -6.533 1.00 53.23 O ATOM 0 H ASP A 19 -1.550 4.049 -7.509 1.00 23.42 H new ATOM 0 HA ASP A 19 -3.321 4.040 -5.364 1.00 33.50 H new ATOM 0 HB2 ASP A 19 -2.236 6.091 -4.723 1.00 71.14 H new ATOM 0 HB3 ASP A 19 -1.025 5.061 -5.459 1.00 71.14 H new ATOM 306 N ALA A 20 -4.224 5.999 -7.839 1.00 0.54 N ATOM 307 CA ALA A 20 -5.327 6.792 -8.368 1.00 62.25 C ATOM 308 C ALA A 20 -6.560 5.927 -8.606 1.00 63.53 C ATOM 309 O ALA A 20 -7.646 6.437 -8.876 1.00 42.34 O ATOM 310 CB ALA A 20 -4.908 7.483 -9.658 1.00 12.25 C ATOM 0 H ALA A 20 -3.458 5.850 -8.496 1.00 0.54 H new ATOM 0 HA ALA A 20 -5.585 7.550 -7.629 1.00 62.25 H new ATOM 0 HB1 ALA A 20 -5.741 8.072 -10.042 1.00 12.25 H new ATOM 0 HB2 ALA A 20 -4.060 8.139 -9.461 1.00 12.25 H new ATOM 0 HB3 ALA A 20 -4.622 6.733 -10.396 1.00 12.25 H new ATOM 316 N GLY A 21 -6.384 4.612 -8.505 1.00 3.54 N ATOM 317 CA GLY A 21 -7.491 3.697 -8.713 1.00 3.44 C ATOM 318 C GLY A 21 -7.724 3.393 -10.179 1.00 42.22 C ATOM 319 O GLY A 21 -8.573 2.571 -10.523 1.00 51.05 O ATOM 0 H GLY A 21 -5.495 4.165 -8.283 1.00 3.54 H new ATOM 0 HA2 GLY A 21 -7.295 2.767 -8.179 1.00 3.44 H new ATOM 0 HA3 GLY A 21 -8.398 4.125 -8.285 1.00 3.44 H new ATOM 323 N LYS A 22 -6.969 4.059 -11.047 1.00 72.20 N ATOM 324 CA LYS A 22 -7.097 3.857 -12.485 1.00 61.43 C ATOM 325 C LYS A 22 -6.535 2.499 -12.896 1.00 14.11 C ATOM 326 O LYS A 22 -5.462 2.099 -12.446 1.00 23.04 O ATOM 327 CB LYS A 22 -6.372 4.971 -13.244 1.00 73.31 C ATOM 328 CG LYS A 22 -6.868 6.364 -12.898 1.00 2.10 C ATOM 329 CD LYS A 22 -5.838 7.425 -13.249 1.00 55.22 C ATOM 330 CE LYS A 22 -6.379 8.827 -13.011 1.00 72.21 C ATOM 331 NZ LYS A 22 -6.024 9.754 -14.121 1.00 11.33 N ATOM 0 H LYS A 22 -6.262 4.743 -10.779 1.00 72.20 H new ATOM 0 HA LYS A 22 -8.157 3.884 -12.737 1.00 61.43 H new ATOM 0 HB2 LYS A 22 -5.305 4.911 -13.030 1.00 73.31 H new ATOM 0 HB3 LYS A 22 -6.492 4.807 -14.315 1.00 73.31 H new ATOM 0 HG2 LYS A 22 -7.796 6.565 -13.434 1.00 2.10 H new ATOM 0 HG3 LYS A 22 -7.097 6.416 -11.834 1.00 2.10 H new ATOM 0 HD2 LYS A 22 -4.940 7.274 -12.650 1.00 55.22 H new ATOM 0 HD3 LYS A 22 -5.546 7.319 -14.294 1.00 55.22 H new ATOM 0 HE2 LYS A 22 -7.463 8.785 -12.906 1.00 72.21 H new ATOM 0 HE3 LYS A 22 -5.982 9.215 -12.073 1.00 72.21 H new ATOM 0 HZ1 LYS A 22 -6.411 10.699 -13.921 1.00 11.33 H new ATOM 0 HZ2 LYS A 22 -4.989 9.814 -14.206 1.00 11.33 H new ATOM 0 HZ3 LYS A 22 -6.424 9.398 -15.012 1.00 11.33 H new ATOM 345 N ASP A 23 -7.267 1.796 -13.753 1.00 50.24 N ATOM 346 CA ASP A 23 -6.840 0.485 -14.227 1.00 34.52 C ATOM 347 C ASP A 23 -5.613 0.604 -15.125 1.00 31.41 C ATOM 348 O ASP A 23 -5.638 1.299 -16.141 1.00 12.32 O ATOM 349 CB ASP A 23 -7.978 -0.202 -14.985 1.00 24.44 C ATOM 350 CG ASP A 23 -9.135 -0.575 -14.079 1.00 51.50 C ATOM 351 OD1 ASP A 23 -9.770 0.344 -13.520 1.00 43.23 O ATOM 352 OD2 ASP A 23 -9.406 -1.785 -13.928 1.00 43.43 O ATOM 0 H ASP A 23 -8.159 2.112 -14.134 1.00 50.24 H new ATOM 0 HA ASP A 23 -6.575 -0.119 -13.359 1.00 34.52 H new ATOM 0 HB2 ASP A 23 -8.337 0.459 -15.774 1.00 24.44 H new ATOM 0 HB3 ASP A 23 -7.597 -1.100 -15.471 1.00 24.44 H new ATOM 357 N THR A 24 -4.538 -0.079 -14.743 1.00 71.21 N ATOM 358 CA THR A 24 -3.300 -0.048 -15.512 1.00 33.42 C ATOM 359 C THR A 24 -2.842 -1.457 -15.872 1.00 43.22 C ATOM 360 O THR A 24 -2.801 -2.344 -15.020 1.00 25.21 O ATOM 361 CB THR A 24 -2.175 0.663 -14.737 1.00 12.02 C ATOM 362 OG1 THR A 24 -2.690 1.831 -14.089 1.00 1.55 O ATOM 363 CG2 THR A 24 -1.039 1.053 -15.669 1.00 44.45 C ATOM 0 H THR A 24 -4.500 -0.660 -13.906 1.00 71.21 H new ATOM 0 HA THR A 24 -3.509 0.508 -16.426 1.00 33.42 H new ATOM 0 HB THR A 24 -1.788 -0.027 -13.987 1.00 12.02 H new ATOM 0 HG1 THR A 24 -1.969 2.277 -13.597 1.00 1.55 H new ATOM 0 HG21 THR A 24 -0.256 1.554 -15.099 1.00 44.45 H new ATOM 0 HG22 THR A 24 -0.630 0.158 -16.139 1.00 44.45 H new ATOM 0 HG23 THR A 24 -1.415 1.727 -16.439 1.00 44.45 H new ATOM 371 N PHE A 25 -2.497 -1.655 -17.140 1.00 61.42 N ATOM 372 CA PHE A 25 -2.041 -2.957 -17.613 1.00 71.25 C ATOM 373 C PHE A 25 -0.563 -2.912 -17.991 1.00 13.31 C ATOM 374 O PHE A 25 -0.135 -2.052 -18.762 1.00 30.41 O ATOM 375 CB PHE A 25 -2.873 -3.406 -18.817 1.00 2.02 C ATOM 376 CG PHE A 25 -3.079 -2.325 -19.839 1.00 75.22 C ATOM 377 CD1 PHE A 25 -2.149 -2.117 -20.844 1.00 63.14 C ATOM 378 CD2 PHE A 25 -4.205 -1.518 -19.795 1.00 44.15 C ATOM 379 CE1 PHE A 25 -2.336 -1.123 -21.786 1.00 12.22 C ATOM 380 CE2 PHE A 25 -4.398 -0.522 -20.735 1.00 23.14 C ATOM 381 CZ PHE A 25 -3.463 -0.325 -21.732 1.00 24.24 C ATOM 0 H PHE A 25 -2.524 -0.931 -17.858 1.00 61.42 H new ATOM 0 HA PHE A 25 -2.169 -3.675 -16.803 1.00 71.25 H new ATOM 0 HB2 PHE A 25 -2.382 -4.255 -19.292 1.00 2.02 H new ATOM 0 HB3 PHE A 25 -3.845 -3.755 -18.467 1.00 2.02 H new ATOM 0 HD1 PHE A 25 -1.267 -2.739 -20.892 1.00 63.14 H new ATOM 0 HD2 PHE A 25 -4.940 -1.669 -19.018 1.00 44.15 H new ATOM 0 HE1 PHE A 25 -1.602 -0.970 -22.563 1.00 12.22 H new ATOM 0 HE2 PHE A 25 -5.279 0.101 -20.689 1.00 23.14 H new ATOM 0 HZ PHE A 25 -3.612 0.451 -22.468 1.00 24.24 H new ATOM 391 N ILE A 26 0.210 -3.842 -17.442 1.00 23.02 N ATOM 392 CA ILE A 26 1.639 -3.909 -17.721 1.00 4.22 C ATOM 393 C ILE A 26 2.057 -5.322 -18.113 1.00 45.21 C ATOM 394 O ILE A 26 1.451 -6.303 -17.683 1.00 12.00 O ATOM 395 CB ILE A 26 2.472 -3.458 -16.506 1.00 52.20 C ATOM 396 CG1 ILE A 26 3.949 -3.344 -16.887 1.00 3.23 C ATOM 397 CG2 ILE A 26 2.291 -4.430 -15.350 1.00 14.34 C ATOM 398 CD1 ILE A 26 4.646 -2.159 -16.255 1.00 24.31 C ATOM 0 H ILE A 26 -0.129 -4.560 -16.801 1.00 23.02 H new ATOM 0 HA ILE A 26 1.830 -3.232 -18.554 1.00 4.22 H new ATOM 0 HB ILE A 26 2.122 -2.476 -16.188 1.00 52.20 H new ATOM 0 HG12 ILE A 26 4.464 -4.258 -16.591 1.00 3.23 H new ATOM 0 HG13 ILE A 26 4.031 -3.268 -17.971 1.00 3.23 H new ATOM 0 HG21 ILE A 26 2.886 -4.098 -14.499 1.00 14.34 H new ATOM 0 HG22 ILE A 26 1.239 -4.466 -15.066 1.00 14.34 H new ATOM 0 HG23 ILE A 26 2.618 -5.424 -15.656 1.00 14.34 H new ATOM 0 HD11 ILE A 26 5.690 -2.141 -16.569 1.00 24.31 H new ATOM 0 HD12 ILE A 26 4.156 -1.238 -16.571 1.00 24.31 H new ATOM 0 HD13 ILE A 26 4.595 -2.243 -15.169 1.00 24.31 H new ATOM 410 N LYS A 27 3.100 -5.419 -18.932 1.00 13.44 N ATOM 411 CA LYS A 27 3.603 -6.711 -19.381 1.00 31.33 C ATOM 412 C LYS A 27 4.336 -7.431 -18.253 1.00 70.34 C ATOM 413 O LYS A 27 4.956 -6.798 -17.399 1.00 21.15 O ATOM 414 CB LYS A 27 4.539 -6.529 -20.578 1.00 30.43 C ATOM 415 CG LYS A 27 3.851 -5.961 -21.807 1.00 2.22 C ATOM 416 CD LYS A 27 3.868 -4.441 -21.802 1.00 61.55 C ATOM 417 CE LYS A 27 5.289 -3.900 -21.780 1.00 3.12 C ATOM 418 NZ LYS A 27 6.177 -4.631 -22.726 1.00 54.14 N ATOM 0 H LYS A 27 3.613 -4.617 -19.298 1.00 13.44 H new ATOM 0 HA LYS A 27 2.751 -7.320 -19.684 1.00 31.33 H new ATOM 0 HB2 LYS A 27 5.357 -5.868 -20.292 1.00 30.43 H new ATOM 0 HB3 LYS A 27 4.982 -7.492 -20.832 1.00 30.43 H new ATOM 0 HG2 LYS A 27 4.347 -6.329 -22.705 1.00 2.22 H new ATOM 0 HG3 LYS A 27 2.821 -6.314 -21.844 1.00 2.22 H new ATOM 0 HD2 LYS A 27 3.349 -4.067 -22.685 1.00 61.55 H new ATOM 0 HD3 LYS A 27 3.324 -4.073 -20.932 1.00 61.55 H new ATOM 0 HE2 LYS A 27 5.278 -2.841 -22.037 1.00 3.12 H new ATOM 0 HE3 LYS A 27 5.692 -3.978 -20.770 1.00 3.12 H new ATOM 0 HZ1 LYS A 27 6.959 -4.010 -23.018 1.00 54.14 H new ATOM 0 HZ2 LYS A 27 6.562 -5.476 -22.258 1.00 54.14 H new ATOM 0 HZ3 LYS A 27 5.631 -4.918 -23.563 1.00 54.14 H new ATOM 432 N CYS A 28 4.262 -8.758 -18.258 1.00 61.03 N ATOM 433 CA CYS A 28 4.919 -9.565 -17.237 1.00 42.22 C ATOM 434 C CYS A 28 6.220 -10.160 -17.768 1.00 4.31 C ATOM 435 O CYS A 28 6.454 -10.228 -18.975 1.00 2.42 O ATOM 436 CB CYS A 28 3.989 -10.684 -16.765 1.00 21.00 C ATOM 437 SG CYS A 28 3.089 -10.304 -15.228 1.00 13.42 S ATOM 0 H CYS A 28 3.753 -9.297 -18.958 1.00 61.03 H new ATOM 0 HA CYS A 28 5.154 -8.917 -16.393 1.00 42.22 H new ATOM 0 HB2 CYS A 28 3.267 -10.898 -17.553 1.00 21.00 H new ATOM 0 HB3 CYS A 28 4.576 -11.590 -16.615 1.00 21.00 H new ATOM 442 N PRO A 29 7.088 -10.602 -16.846 1.00 3.43 N ATOM 443 CA PRO A 29 8.380 -11.199 -17.196 1.00 70.45 C ATOM 444 C PRO A 29 8.227 -12.568 -17.850 1.00 73.53 C ATOM 445 O PRO A 29 7.457 -13.409 -17.383 1.00 41.54 O ATOM 446 CB PRO A 29 9.090 -11.328 -15.846 1.00 73.03 C ATOM 447 CG PRO A 29 7.989 -11.404 -14.845 1.00 52.34 C ATOM 448 CD PRO A 29 6.875 -10.552 -15.389 1.00 62.35 C ATOM 0 HA PRO A 29 8.924 -10.595 -17.923 1.00 70.45 H new ATOM 0 HB2 PRO A 29 9.718 -12.218 -15.812 1.00 73.03 H new ATOM 0 HB3 PRO A 29 9.739 -10.473 -15.657 1.00 73.03 H new ATOM 0 HG2 PRO A 29 7.660 -12.434 -14.704 1.00 52.34 H new ATOM 0 HG3 PRO A 29 8.320 -11.039 -13.873 1.00 52.34 H new ATOM 0 HD2 PRO A 29 5.897 -10.945 -15.112 1.00 62.35 H new ATOM 0 HD3 PRO A 29 6.928 -9.531 -15.010 1.00 62.35 H new ATOM 456 N LYS A 30 8.964 -12.788 -18.933 1.00 44.44 N ATOM 457 CA LYS A 30 8.913 -14.056 -19.651 1.00 55.44 C ATOM 458 C LYS A 30 9.899 -15.057 -19.059 1.00 40.01 C ATOM 459 O LYS A 30 10.135 -16.122 -19.629 1.00 64.25 O ATOM 460 CB LYS A 30 9.219 -13.838 -21.135 1.00 31.21 C ATOM 461 CG LYS A 30 7.987 -13.547 -21.974 1.00 51.11 C ATOM 462 CD LYS A 30 8.359 -13.155 -23.394 1.00 44.21 C ATOM 463 CE LYS A 30 7.130 -12.797 -24.214 1.00 55.42 C ATOM 464 NZ LYS A 30 7.489 -12.363 -25.593 1.00 21.41 N ATOM 0 H LYS A 30 9.605 -12.103 -19.334 1.00 44.44 H new ATOM 0 HA LYS A 30 7.906 -14.462 -19.550 1.00 55.44 H new ATOM 0 HB2 LYS A 30 9.920 -13.009 -21.235 1.00 31.21 H new ATOM 0 HB3 LYS A 30 9.715 -14.725 -21.529 1.00 31.21 H new ATOM 0 HG2 LYS A 30 7.344 -14.427 -21.995 1.00 51.11 H new ATOM 0 HG3 LYS A 30 7.413 -12.744 -21.512 1.00 51.11 H new ATOM 0 HD2 LYS A 30 9.042 -12.306 -23.371 1.00 44.21 H new ATOM 0 HD3 LYS A 30 8.890 -13.978 -23.872 1.00 44.21 H new ATOM 0 HE2 LYS A 30 6.465 -13.659 -24.266 1.00 55.42 H new ATOM 0 HE3 LYS A 30 6.580 -12.000 -23.714 1.00 55.42 H new ATOM 0 HZ1 LYS A 30 6.623 -12.128 -26.119 1.00 21.41 H new ATOM 0 HZ2 LYS A 30 8.103 -11.525 -25.544 1.00 21.41 H new ATOM 0 HZ3 LYS A 30 7.992 -13.133 -26.079 1.00 21.41 H new ATOM 478 N PHE A 31 10.471 -14.709 -17.911 1.00 41.13 N ATOM 479 CA PHE A 31 11.432 -15.578 -17.242 1.00 12.25 C ATOM 480 C PHE A 31 10.722 -16.725 -16.528 1.00 3.22 C ATOM 481 O PHE A 31 9.595 -16.574 -16.056 1.00 23.02 O ATOM 482 CB PHE A 31 12.265 -14.776 -16.239 1.00 54.13 C ATOM 483 CG PHE A 31 13.247 -13.843 -16.887 1.00 40.52 C ATOM 484 CD1 PHE A 31 14.442 -14.321 -17.401 1.00 12.33 C ATOM 485 CD2 PHE A 31 12.975 -12.487 -16.983 1.00 65.33 C ATOM 486 CE1 PHE A 31 15.348 -13.464 -17.997 1.00 12.24 C ATOM 487 CE2 PHE A 31 13.877 -11.626 -17.579 1.00 5.44 C ATOM 488 CZ PHE A 31 15.065 -12.115 -18.087 1.00 12.11 C ATOM 0 H PHE A 31 10.286 -13.832 -17.425 1.00 41.13 H new ATOM 0 HA PHE A 31 12.094 -15.998 -18.000 1.00 12.25 H new ATOM 0 HB2 PHE A 31 11.595 -14.200 -15.601 1.00 54.13 H new ATOM 0 HB3 PHE A 31 12.805 -15.467 -15.592 1.00 54.13 H new ATOM 0 HD1 PHE A 31 14.668 -15.375 -17.335 1.00 12.33 H new ATOM 0 HD2 PHE A 31 12.048 -12.099 -16.588 1.00 65.33 H new ATOM 0 HE1 PHE A 31 16.277 -13.849 -18.392 1.00 12.24 H new ATOM 0 HE2 PHE A 31 13.653 -10.572 -17.648 1.00 5.44 H new ATOM 0 HZ PHE A 31 15.771 -11.444 -18.554 1.00 12.11 H new ATOM 498 N ASP A 32 11.390 -17.871 -16.454 1.00 2.32 N ATOM 499 CA ASP A 32 10.825 -19.044 -15.798 1.00 21.13 C ATOM 500 C ASP A 32 10.592 -18.777 -14.314 1.00 35.31 C ATOM 501 O ASP A 32 9.829 -19.486 -13.658 1.00 61.14 O ATOM 502 CB ASP A 32 11.752 -20.248 -15.972 1.00 73.34 C ATOM 503 CG ASP A 32 11.654 -20.858 -17.357 1.00 32.00 C ATOM 504 OD1 ASP A 32 10.524 -20.968 -17.879 1.00 3.12 O ATOM 505 OD2 ASP A 32 12.707 -21.224 -17.919 1.00 73.51 O ATOM 0 H ASP A 32 12.323 -18.012 -16.840 1.00 2.32 H new ATOM 0 HA ASP A 32 9.865 -19.264 -16.265 1.00 21.13 H new ATOM 0 HB2 ASP A 32 12.781 -19.941 -15.785 1.00 73.34 H new ATOM 0 HB3 ASP A 32 11.505 -21.004 -15.227 1.00 73.34 H new ATOM 510 N ASN A 33 11.254 -17.751 -13.791 1.00 3.20 N ATOM 511 CA ASN A 33 11.120 -17.391 -12.384 1.00 21.31 C ATOM 512 C ASN A 33 9.731 -16.830 -12.096 1.00 31.21 C ATOM 513 O ASN A 33 9.188 -17.015 -11.006 1.00 51.25 O ATOM 514 CB ASN A 33 12.187 -16.367 -11.994 1.00 3.32 C ATOM 515 CG ASN A 33 13.545 -17.004 -11.766 1.00 54.32 C ATOM 516 OD1 ASN A 33 13.721 -17.805 -10.848 1.00 13.40 O ATOM 517 ND2 ASN A 33 14.512 -16.649 -12.604 1.00 22.32 N ATOM 0 H ASN A 33 11.889 -17.154 -14.320 1.00 3.20 H new ATOM 0 HA ASN A 33 11.258 -18.294 -11.789 1.00 21.31 H new ATOM 0 HB2 ASN A 33 12.269 -15.615 -12.779 1.00 3.32 H new ATOM 0 HB3 ASN A 33 11.875 -15.849 -11.087 1.00 3.32 H new ATOM 0 HD21 ASN A 33 15.447 -17.044 -12.501 1.00 22.32 H new ATOM 0 HD22 ASN A 33 14.320 -15.981 -13.351 1.00 22.32 H new ATOM 524 N LYS A 34 9.160 -16.144 -13.080 1.00 62.24 N ATOM 525 CA LYS A 34 7.834 -15.557 -12.935 1.00 54.14 C ATOM 526 C LYS A 34 7.187 -15.331 -14.298 1.00 74.22 C ATOM 527 O LYS A 34 7.755 -14.667 -15.165 1.00 25.20 O ATOM 528 CB LYS A 34 7.920 -14.232 -12.174 1.00 62.05 C ATOM 529 CG LYS A 34 7.991 -14.400 -10.667 1.00 25.24 C ATOM 530 CD LYS A 34 9.407 -14.204 -10.150 1.00 31.40 C ATOM 531 CE LYS A 34 9.780 -12.731 -10.091 1.00 50.02 C ATOM 532 NZ LYS A 34 10.669 -12.430 -8.935 1.00 44.35 N ATOM 0 H LYS A 34 9.596 -15.981 -13.988 1.00 62.24 H new ATOM 0 HA LYS A 34 7.216 -16.254 -12.370 1.00 54.14 H new ATOM 0 HB2 LYS A 34 8.800 -13.685 -12.512 1.00 62.05 H new ATOM 0 HB3 LYS A 34 7.051 -13.623 -12.423 1.00 62.05 H new ATOM 0 HG2 LYS A 34 7.325 -13.682 -10.188 1.00 25.24 H new ATOM 0 HG3 LYS A 34 7.637 -15.394 -10.394 1.00 25.24 H new ATOM 0 HD2 LYS A 34 9.497 -14.643 -9.156 1.00 31.40 H new ATOM 0 HD3 LYS A 34 10.108 -14.732 -10.796 1.00 31.40 H new ATOM 0 HE2 LYS A 34 10.279 -12.445 -11.017 1.00 50.02 H new ATOM 0 HE3 LYS A 34 8.874 -12.130 -10.019 1.00 50.02 H new ATOM 0 HZ1 LYS A 34 10.132 -11.915 -8.209 1.00 44.35 H new ATOM 0 HZ2 LYS A 34 11.030 -13.319 -8.534 1.00 44.35 H new ATOM 0 HZ3 LYS A 34 11.468 -11.845 -9.254 1.00 44.35 H new ATOM 546 N LYS A 35 5.993 -15.887 -14.481 1.00 4.42 N ATOM 547 CA LYS A 35 5.267 -15.744 -15.737 1.00 32.11 C ATOM 548 C LYS A 35 3.811 -16.171 -15.575 1.00 3.21 C ATOM 549 O LYS A 35 3.397 -16.607 -14.500 1.00 45.02 O ATOM 550 CB LYS A 35 5.934 -16.577 -16.833 1.00 64.05 C ATOM 551 CG LYS A 35 5.822 -18.076 -16.613 1.00 15.42 C ATOM 552 CD LYS A 35 5.986 -18.845 -17.913 1.00 2.41 C ATOM 553 CE LYS A 35 7.192 -19.770 -17.864 1.00 44.13 C ATOM 554 NZ LYS A 35 6.837 -21.118 -17.341 1.00 14.12 N ATOM 0 H LYS A 35 5.508 -16.441 -13.775 1.00 4.42 H new ATOM 0 HA LYS A 35 5.290 -14.693 -16.023 1.00 32.11 H new ATOM 0 HB2 LYS A 35 5.484 -16.325 -17.793 1.00 64.05 H new ATOM 0 HB3 LYS A 35 6.988 -16.305 -16.893 1.00 64.05 H new ATOM 0 HG2 LYS A 35 6.582 -18.398 -15.901 1.00 15.42 H new ATOM 0 HG3 LYS A 35 4.853 -18.308 -16.172 1.00 15.42 H new ATOM 0 HD2 LYS A 35 5.086 -19.428 -18.108 1.00 2.41 H new ATOM 0 HD3 LYS A 35 6.097 -18.144 -18.740 1.00 2.41 H new ATOM 0 HE2 LYS A 35 7.615 -19.868 -18.864 1.00 44.13 H new ATOM 0 HE3 LYS A 35 7.963 -19.328 -17.234 1.00 44.13 H new ATOM 0 HZ1 LYS A 35 7.686 -21.718 -17.323 1.00 14.12 H new ATOM 0 HZ2 LYS A 35 6.457 -21.027 -16.377 1.00 14.12 H new ATOM 0 HZ3 LYS A 35 6.119 -21.551 -17.957 1.00 14.12 H new ATOM 568 N CYS A 36 3.039 -16.044 -16.649 1.00 1.42 N ATOM 569 CA CYS A 36 1.630 -16.417 -16.627 1.00 0.23 C ATOM 570 C CYS A 36 1.425 -17.804 -17.229 1.00 41.32 C ATOM 571 O CYS A 36 1.721 -18.034 -18.402 1.00 55.35 O ATOM 572 CB CYS A 36 0.796 -15.388 -17.393 1.00 3.35 C ATOM 573 SG CYS A 36 -0.604 -14.711 -16.444 1.00 73.22 S ATOM 0 H CYS A 36 3.366 -15.685 -17.546 1.00 1.42 H new ATOM 0 HA CYS A 36 1.302 -16.439 -15.588 1.00 0.23 H new ATOM 0 HB2 CYS A 36 1.444 -14.567 -17.700 1.00 3.35 H new ATOM 0 HB3 CYS A 36 0.414 -15.850 -18.303 1.00 3.35 H new ATOM 578 N THR A 37 0.917 -18.726 -16.418 1.00 75.10 N ATOM 579 CA THR A 37 0.673 -20.090 -16.869 1.00 74.25 C ATOM 580 C THR A 37 -0.781 -20.279 -17.289 1.00 2.10 C ATOM 581 O THR A 37 -1.082 -21.068 -18.185 1.00 10.21 O ATOM 582 CB THR A 37 1.015 -21.115 -15.772 1.00 24.02 C ATOM 583 OG1 THR A 37 0.495 -20.676 -14.512 1.00 72.11 O ATOM 584 CG2 THR A 37 2.520 -21.310 -15.664 1.00 42.13 C ATOM 0 H THR A 37 0.666 -18.553 -15.445 1.00 75.10 H new ATOM 0 HA THR A 37 1.322 -20.259 -17.728 1.00 74.25 H new ATOM 0 HB THR A 37 0.559 -22.068 -16.041 1.00 24.02 H new ATOM 0 HG1 THR A 37 0.716 -21.334 -13.820 1.00 72.11 H new ATOM 0 HG21 THR A 37 2.737 -22.038 -14.883 1.00 42.13 H new ATOM 0 HG22 THR A 37 2.909 -21.672 -16.616 1.00 42.13 H new ATOM 0 HG23 THR A 37 2.993 -20.360 -15.416 1.00 42.13 H new ATOM 592 N LYS A 38 -1.679 -19.549 -16.636 1.00 75.45 N ATOM 593 CA LYS A 38 -3.103 -19.634 -16.943 1.00 25.34 C ATOM 594 C LYS A 38 -3.738 -18.248 -16.963 1.00 13.12 C ATOM 595 O LYS A 38 -3.300 -17.343 -16.252 1.00 63.23 O ATOM 596 CB LYS A 38 -3.814 -20.519 -15.916 1.00 52.51 C ATOM 597 CG LYS A 38 -4.802 -21.493 -16.534 1.00 21.23 C ATOM 598 CD LYS A 38 -4.267 -22.915 -16.515 1.00 74.53 C ATOM 599 CE LYS A 38 -5.152 -23.854 -17.322 1.00 41.31 C ATOM 600 NZ LYS A 38 -4.407 -25.058 -17.784 1.00 51.43 N ATOM 0 H LYS A 38 -1.447 -18.892 -15.891 1.00 75.45 H new ATOM 0 HA LYS A 38 -3.211 -20.078 -17.933 1.00 25.34 H new ATOM 0 HB2 LYS A 38 -3.068 -21.079 -15.353 1.00 52.51 H new ATOM 0 HB3 LYS A 38 -4.340 -19.884 -15.203 1.00 52.51 H new ATOM 0 HG2 LYS A 38 -5.745 -21.451 -15.990 1.00 21.23 H new ATOM 0 HG3 LYS A 38 -5.013 -21.196 -17.561 1.00 21.23 H new ATOM 0 HD2 LYS A 38 -3.255 -22.930 -16.919 1.00 74.53 H new ATOM 0 HD3 LYS A 38 -4.204 -23.268 -15.486 1.00 74.53 H new ATOM 0 HE2 LYS A 38 -6.002 -24.164 -16.714 1.00 41.31 H new ATOM 0 HE3 LYS A 38 -5.554 -23.322 -18.185 1.00 41.31 H new ATOM 0 HZ1 LYS A 38 -5.044 -25.672 -18.330 1.00 51.43 H new ATOM 0 HZ2 LYS A 38 -3.611 -24.764 -18.385 1.00 51.43 H new ATOM 0 HZ3 LYS A 38 -4.045 -25.579 -16.960 1.00 51.43 H new ATOM 614 N ASP A 39 -4.774 -18.089 -17.779 1.00 40.13 N ATOM 615 CA ASP A 39 -5.472 -16.813 -17.890 1.00 21.23 C ATOM 616 C ASP A 39 -6.146 -16.447 -16.571 1.00 40.22 C ATOM 617 O ASP A 39 -6.411 -17.311 -15.737 1.00 73.43 O ATOM 618 CB ASP A 39 -6.512 -16.872 -19.010 1.00 1.24 C ATOM 619 CG ASP A 39 -7.438 -18.065 -18.878 1.00 13.45 C ATOM 620 OD1 ASP A 39 -7.838 -18.382 -17.738 1.00 0.51 O ATOM 621 OD2 ASP A 39 -7.763 -18.682 -19.914 1.00 0.32 O ATOM 0 H ASP A 39 -5.149 -18.828 -18.374 1.00 40.13 H new ATOM 0 HA ASP A 39 -4.737 -16.044 -18.128 1.00 21.23 H new ATOM 0 HB2 ASP A 39 -7.102 -15.955 -19.003 1.00 1.24 H new ATOM 0 HB3 ASP A 39 -6.003 -16.916 -19.973 1.00 1.24 H new ATOM 626 N ASN A 40 -6.419 -15.159 -16.390 1.00 51.30 N ATOM 627 CA ASN A 40 -7.061 -14.677 -15.172 1.00 62.40 C ATOM 628 C ASN A 40 -6.171 -14.920 -13.956 1.00 54.03 C ATOM 629 O ASN A 40 -6.633 -14.869 -12.817 1.00 61.01 O ATOM 630 CB ASN A 40 -8.412 -15.368 -14.975 1.00 41.04 C ATOM 631 CG ASN A 40 -9.415 -14.483 -14.262 1.00 13.41 C ATOM 632 OD1 ASN A 40 -10.252 -13.839 -14.895 1.00 34.01 O ATOM 633 ND2 ASN A 40 -9.335 -14.446 -12.937 1.00 20.31 N ATOM 0 H ASN A 40 -6.206 -14.430 -17.071 1.00 51.30 H new ATOM 0 HA ASN A 40 -7.221 -13.604 -15.275 1.00 62.40 H new ATOM 0 HB2 ASN A 40 -8.813 -15.658 -15.946 1.00 41.04 H new ATOM 0 HB3 ASN A 40 -8.268 -16.284 -14.402 1.00 41.04 H new ATOM 0 HD21 ASN A 40 -9.983 -13.867 -12.403 1.00 20.31 H new ATOM 0 HD22 ASN A 40 -8.625 -14.996 -12.453 1.00 20.31 H new ATOM 640 N ASN A 41 -4.893 -15.183 -14.208 1.00 73.42 N ATOM 641 CA ASN A 41 -3.939 -15.434 -13.134 1.00 44.15 C ATOM 642 C ASN A 41 -3.852 -14.236 -12.193 1.00 72.41 C ATOM 643 O ASN A 41 -4.642 -13.297 -12.291 1.00 34.34 O ATOM 644 CB ASN A 41 -2.557 -15.742 -13.714 1.00 45.22 C ATOM 645 CG ASN A 41 -2.040 -17.102 -13.287 1.00 74.31 C ATOM 646 OD1 ASN A 41 -2.369 -17.592 -12.206 1.00 40.05 O ATOM 647 ND2 ASN A 41 -1.227 -17.720 -14.136 1.00 52.33 N ATOM 0 H ASN A 41 -4.494 -15.228 -15.146 1.00 73.42 H new ATOM 0 HA ASN A 41 -4.288 -16.296 -12.565 1.00 44.15 H new ATOM 0 HB2 ASN A 41 -2.605 -15.700 -14.802 1.00 45.22 H new ATOM 0 HB3 ASN A 41 -1.853 -14.973 -13.396 1.00 45.22 H new ATOM 0 HD21 ASN A 41 -0.849 -18.638 -13.903 1.00 52.33 H new ATOM 0 HD22 ASN A 41 -0.981 -17.277 -15.021 1.00 52.33 H new ATOM 654 N LYS A 42 -2.886 -14.276 -11.281 1.00 53.05 N ATOM 655 CA LYS A 42 -2.694 -13.194 -10.323 1.00 24.42 C ATOM 656 C LYS A 42 -1.225 -12.790 -10.247 1.00 22.14 C ATOM 657 O LYS A 42 -0.332 -13.618 -10.432 1.00 11.23 O ATOM 658 CB LYS A 42 -3.189 -13.618 -8.938 1.00 75.13 C ATOM 659 CG LYS A 42 -4.215 -12.669 -8.343 1.00 31.11 C ATOM 660 CD LYS A 42 -5.574 -12.830 -9.004 1.00 23.31 C ATOM 661 CE LYS A 42 -6.182 -14.191 -8.703 1.00 31.41 C ATOM 662 NZ LYS A 42 -7.662 -14.117 -8.554 1.00 41.10 N ATOM 0 H LYS A 42 -2.224 -15.046 -11.185 1.00 53.05 H new ATOM 0 HA LYS A 42 -3.273 -12.335 -10.662 1.00 24.42 H new ATOM 0 HB2 LYS A 42 -3.625 -14.615 -9.006 1.00 75.13 H new ATOM 0 HB3 LYS A 42 -2.337 -13.688 -8.262 1.00 75.13 H new ATOM 0 HG2 LYS A 42 -4.306 -12.855 -7.273 1.00 31.11 H new ATOM 0 HG3 LYS A 42 -3.872 -11.641 -8.460 1.00 31.11 H new ATOM 0 HD2 LYS A 42 -6.245 -12.045 -8.655 1.00 23.31 H new ATOM 0 HD3 LYS A 42 -5.472 -12.706 -10.082 1.00 23.31 H new ATOM 0 HE2 LYS A 42 -5.932 -14.886 -9.505 1.00 31.41 H new ATOM 0 HE3 LYS A 42 -5.744 -14.590 -7.788 1.00 31.41 H new ATOM 0 HZ1 LYS A 42 -8.038 -15.065 -8.350 1.00 41.10 H new ATOM 0 HZ2 LYS A 42 -7.900 -13.474 -7.772 1.00 41.10 H new ATOM 0 HZ3 LYS A 42 -8.082 -13.761 -9.436 1.00 41.10 H new ATOM 676 N CYS A 43 -0.981 -11.513 -9.972 1.00 22.24 N ATOM 677 CA CYS A 43 0.379 -10.999 -9.870 1.00 4.24 C ATOM 678 C CYS A 43 0.484 -9.953 -8.763 1.00 70.11 C ATOM 679 O CYS A 43 -0.507 -9.618 -8.114 1.00 13.31 O ATOM 680 CB CYS A 43 0.819 -10.392 -11.203 1.00 52.44 C ATOM 681 SG CYS A 43 0.020 -8.802 -11.596 1.00 32.21 S ATOM 0 H CYS A 43 -1.708 -10.815 -9.816 1.00 22.24 H new ATOM 0 HA CYS A 43 1.037 -11.832 -9.623 1.00 4.24 H new ATOM 0 HB2 CYS A 43 1.899 -10.249 -11.186 1.00 52.44 H new ATOM 0 HB3 CYS A 43 0.604 -11.102 -12.002 1.00 52.44 H new ATOM 686 N THR A 44 1.693 -9.440 -8.553 1.00 75.42 N ATOM 687 CA THR A 44 1.928 -8.434 -7.526 1.00 11.03 C ATOM 688 C THR A 44 2.858 -7.338 -8.033 1.00 11.34 C ATOM 689 O THR A 44 3.820 -7.609 -8.752 1.00 13.23 O ATOM 690 CB THR A 44 2.535 -9.059 -6.255 1.00 75.34 C ATOM 691 OG1 THR A 44 3.291 -10.226 -6.597 1.00 42.00 O ATOM 692 CG2 THR A 44 1.445 -9.429 -5.261 1.00 14.24 C ATOM 0 H THR A 44 2.524 -9.705 -9.081 1.00 75.42 H new ATOM 0 HA THR A 44 0.959 -8.000 -7.281 1.00 11.03 H new ATOM 0 HB THR A 44 3.192 -8.323 -5.792 1.00 75.34 H new ATOM 0 HG1 THR A 44 3.675 -10.617 -5.784 1.00 42.00 H new ATOM 0 HG21 THR A 44 1.897 -9.868 -4.372 1.00 14.24 H new ATOM 0 HG22 THR A 44 0.889 -8.534 -4.981 1.00 14.24 H new ATOM 0 HG23 THR A 44 0.766 -10.150 -5.717 1.00 14.24 H new ATOM 700 N VAL A 45 2.566 -6.098 -7.653 1.00 13.31 N ATOM 701 CA VAL A 45 3.377 -4.960 -8.068 1.00 4.22 C ATOM 702 C VAL A 45 3.611 -3.999 -6.907 1.00 71.14 C ATOM 703 O VAL A 45 2.664 -3.525 -6.280 1.00 35.30 O ATOM 704 CB VAL A 45 2.717 -4.193 -9.229 1.00 64.55 C ATOM 705 CG1 VAL A 45 3.563 -2.993 -9.626 1.00 40.02 C ATOM 706 CG2 VAL A 45 2.496 -5.116 -10.418 1.00 70.34 C ATOM 0 H VAL A 45 1.773 -5.856 -7.058 1.00 13.31 H new ATOM 0 HA VAL A 45 4.334 -5.360 -8.404 1.00 4.22 H new ATOM 0 HB VAL A 45 1.746 -3.828 -8.895 1.00 64.55 H new ATOM 0 HG11 VAL A 45 3.081 -2.464 -10.448 1.00 40.02 H new ATOM 0 HG12 VAL A 45 3.666 -2.322 -8.773 1.00 40.02 H new ATOM 0 HG13 VAL A 45 4.550 -3.332 -9.942 1.00 40.02 H new ATOM 0 HG21 VAL A 45 2.029 -4.558 -11.230 1.00 70.34 H new ATOM 0 HG22 VAL A 45 3.454 -5.512 -10.754 1.00 70.34 H new ATOM 0 HG23 VAL A 45 1.846 -5.940 -10.123 1.00 70.34 H new ATOM 716 N ASP A 46 4.878 -3.715 -6.627 1.00 61.45 N ATOM 717 CA ASP A 46 5.237 -2.809 -5.543 1.00 22.22 C ATOM 718 C ASP A 46 5.741 -1.478 -6.091 1.00 41.12 C ATOM 719 O ASP A 46 6.594 -1.442 -6.979 1.00 1.02 O ATOM 720 CB ASP A 46 6.305 -3.445 -4.651 1.00 42.32 C ATOM 721 CG ASP A 46 5.801 -3.716 -3.248 1.00 32.45 C ATOM 722 OD1 ASP A 46 4.725 -4.336 -3.114 1.00 22.13 O ATOM 723 OD2 ASP A 46 6.481 -3.309 -2.283 1.00 3.42 O ATOM 0 H ASP A 46 5.674 -4.099 -7.136 1.00 61.45 H new ATOM 0 HA ASP A 46 4.343 -2.621 -4.949 1.00 22.22 H new ATOM 0 HB2 ASP A 46 6.640 -4.380 -5.100 1.00 42.32 H new ATOM 0 HB3 ASP A 46 7.172 -2.786 -4.602 1.00 42.32 H new ATOM 728 N THR A 47 5.207 -0.384 -5.558 1.00 10.53 N ATOM 729 CA THR A 47 5.600 0.950 -5.995 1.00 3.03 C ATOM 730 C THR A 47 6.837 1.432 -5.245 1.00 62.33 C ATOM 731 O THR A 47 7.512 2.367 -5.677 1.00 72.23 O ATOM 732 CB THR A 47 4.462 1.967 -5.790 1.00 75.10 C ATOM 733 OG1 THR A 47 3.291 1.300 -5.304 1.00 51.44 O ATOM 734 CG2 THR A 47 4.139 2.687 -7.091 1.00 34.24 C ATOM 0 H THR A 47 4.501 -0.395 -4.822 1.00 10.53 H new ATOM 0 HA THR A 47 5.827 0.879 -7.059 1.00 3.03 H new ATOM 0 HB THR A 47 4.790 2.704 -5.057 1.00 75.10 H new ATOM 0 HG1 THR A 47 3.366 1.172 -4.335 1.00 51.44 H new ATOM 0 HG21 THR A 47 3.332 3.400 -6.922 1.00 34.24 H new ATOM 0 HG22 THR A 47 5.024 3.217 -7.443 1.00 34.24 H new ATOM 0 HG23 THR A 47 3.829 1.960 -7.842 1.00 34.24 H new ATOM 742 N TYR A 48 7.130 0.788 -4.121 1.00 61.42 N ATOM 743 CA TYR A 48 8.286 1.152 -3.310 1.00 70.14 C ATOM 744 C TYR A 48 9.551 0.476 -3.831 1.00 0.14 C ATOM 745 O TYR A 48 10.619 1.085 -3.877 1.00 30.01 O ATOM 746 CB TYR A 48 8.052 0.766 -1.849 1.00 22.11 C ATOM 747 CG TYR A 48 8.430 1.853 -0.868 1.00 33.32 C ATOM 748 CD1 TYR A 48 9.744 2.007 -0.443 1.00 55.11 C ATOM 749 CD2 TYR A 48 7.472 2.726 -0.366 1.00 43.03 C ATOM 750 CE1 TYR A 48 10.093 2.998 0.454 1.00 55.13 C ATOM 751 CE2 TYR A 48 7.813 3.721 0.530 1.00 75.02 C ATOM 752 CZ TYR A 48 9.124 3.853 0.937 1.00 33.41 C ATOM 753 OH TYR A 48 9.468 4.842 1.829 1.00 14.05 O ATOM 0 H TYR A 48 6.583 0.011 -3.750 1.00 61.42 H new ATOM 0 HA TYR A 48 8.419 2.232 -3.376 1.00 70.14 H new ATOM 0 HB2 TYR A 48 7.000 0.514 -1.712 1.00 22.11 H new ATOM 0 HB3 TYR A 48 8.627 -0.132 -1.623 1.00 22.11 H new ATOM 0 HD1 TYR A 48 10.505 1.341 -0.820 1.00 55.11 H new ATOM 0 HD2 TYR A 48 6.444 2.625 -0.682 1.00 43.03 H new ATOM 0 HE1 TYR A 48 11.119 3.103 0.775 1.00 55.13 H new ATOM 0 HE2 TYR A 48 7.057 4.392 0.910 1.00 75.02 H new ATOM 0 HH TYR A 48 8.670 5.357 2.070 1.00 14.05 H new ATOM 763 N ASN A 49 9.421 -0.787 -4.222 1.00 30.44 N ATOM 764 CA ASN A 49 10.553 -1.548 -4.739 1.00 52.20 C ATOM 765 C ASN A 49 10.483 -1.660 -6.259 1.00 23.41 C ATOM 766 O ASN A 49 11.403 -2.172 -6.896 1.00 50.21 O ATOM 767 CB ASN A 49 10.585 -2.944 -4.114 1.00 14.11 C ATOM 768 CG ASN A 49 11.003 -2.916 -2.657 1.00 10.54 C ATOM 769 OD1 ASN A 49 10.657 -1.994 -1.918 1.00 13.33 O ATOM 770 ND2 ASN A 49 11.752 -3.928 -2.236 1.00 62.24 N ATOM 0 H ASN A 49 8.543 -1.306 -4.191 1.00 30.44 H new ATOM 0 HA ASN A 49 11.467 -1.018 -4.473 1.00 52.20 H new ATOM 0 HB2 ASN A 49 9.598 -3.399 -4.197 1.00 14.11 H new ATOM 0 HB3 ASN A 49 11.275 -3.574 -4.675 1.00 14.11 H new ATOM 0 HD21 ASN A 49 12.064 -3.962 -1.265 1.00 62.24 H new ATOM 0 HD22 ASN A 49 12.015 -4.671 -2.883 1.00 62.24 H new ATOM 777 N ASN A 50 9.386 -1.178 -6.833 1.00 31.10 N ATOM 778 CA ASN A 50 9.196 -1.224 -8.278 1.00 71.32 C ATOM 779 C ASN A 50 9.420 -2.636 -8.811 1.00 60.14 C ATOM 780 O ASN A 50 9.836 -2.820 -9.955 1.00 1.11 O ATOM 781 CB ASN A 50 10.150 -0.248 -8.970 1.00 74.44 C ATOM 782 CG ASN A 50 9.888 1.193 -8.576 1.00 64.43 C ATOM 783 OD1 ASN A 50 10.795 1.902 -8.140 1.00 53.51 O ATOM 784 ND2 ASN A 50 8.644 1.631 -8.729 1.00 3.35 N ATOM 0 H ASN A 50 8.615 -0.751 -6.320 1.00 31.10 H new ATOM 0 HA ASN A 50 8.168 -0.932 -8.494 1.00 71.32 H new ATOM 0 HB2 ASN A 50 11.178 -0.509 -8.719 1.00 74.44 H new ATOM 0 HB3 ASN A 50 10.050 -0.350 -10.051 1.00 74.44 H new ATOM 0 HD21 ASN A 50 8.408 2.592 -8.481 1.00 3.35 H new ATOM 0 HD22 ASN A 50 7.925 1.007 -9.094 1.00 3.35 H new ATOM 791 N ALA A 51 9.140 -3.630 -7.975 1.00 25.03 N ATOM 792 CA ALA A 51 9.309 -5.025 -8.362 1.00 73.13 C ATOM 793 C ALA A 51 7.961 -5.690 -8.620 1.00 53.30 C ATOM 794 O ALA A 51 7.037 -5.577 -7.814 1.00 24.14 O ATOM 795 CB ALA A 51 10.076 -5.782 -7.288 1.00 71.35 C ATOM 0 H ALA A 51 8.795 -3.495 -7.025 1.00 25.03 H new ATOM 0 HA ALA A 51 9.882 -5.052 -9.289 1.00 73.13 H new ATOM 0 HB1 ALA A 51 10.195 -6.822 -7.591 1.00 71.35 H new ATOM 0 HB2 ALA A 51 11.058 -5.329 -7.154 1.00 71.35 H new ATOM 0 HB3 ALA A 51 9.525 -5.738 -6.348 1.00 71.35 H new ATOM 801 N VAL A 52 7.854 -6.382 -9.750 1.00 32.13 N ATOM 802 CA VAL A 52 6.618 -7.065 -10.114 1.00 22.34 C ATOM 803 C VAL A 52 6.806 -8.578 -10.112 1.00 70.25 C ATOM 804 O VAL A 52 7.869 -9.082 -10.474 1.00 25.32 O ATOM 805 CB VAL A 52 6.120 -6.622 -11.502 1.00 14.12 C ATOM 806 CG1 VAL A 52 6.071 -5.104 -11.592 1.00 64.34 C ATOM 807 CG2 VAL A 52 7.004 -7.202 -12.595 1.00 40.43 C ATOM 0 H VAL A 52 8.608 -6.484 -10.429 1.00 32.13 H new ATOM 0 HA VAL A 52 5.873 -6.793 -9.366 1.00 22.34 H new ATOM 0 HB VAL A 52 5.109 -7.003 -11.645 1.00 14.12 H new ATOM 0 HG11 VAL A 52 5.717 -4.809 -12.580 1.00 64.34 H new ATOM 0 HG12 VAL A 52 5.392 -4.716 -10.833 1.00 64.34 H new ATOM 0 HG13 VAL A 52 7.069 -4.697 -11.428 1.00 64.34 H new ATOM 0 HG21 VAL A 52 6.637 -6.879 -13.569 1.00 40.43 H new ATOM 0 HG22 VAL A 52 8.028 -6.853 -12.458 1.00 40.43 H new ATOM 0 HG23 VAL A 52 6.981 -8.290 -12.542 1.00 40.43 H new ATOM 817 N ASP A 53 5.766 -9.297 -9.705 1.00 23.45 N ATOM 818 CA ASP A 53 5.815 -10.754 -9.658 1.00 24.13 C ATOM 819 C ASP A 53 4.540 -11.360 -10.235 1.00 52.32 C ATOM 820 O ASP A 53 3.438 -11.084 -9.759 1.00 41.45 O ATOM 821 CB ASP A 53 6.016 -11.233 -8.219 1.00 41.11 C ATOM 822 CG ASP A 53 7.363 -11.898 -8.013 1.00 33.31 C ATOM 823 OD1 ASP A 53 8.373 -11.172 -7.907 1.00 32.12 O ATOM 824 OD2 ASP A 53 7.407 -13.145 -7.959 1.00 35.44 O ATOM 0 H ASP A 53 4.879 -8.895 -9.403 1.00 23.45 H new ATOM 0 HA ASP A 53 6.659 -11.084 -10.264 1.00 24.13 H new ATOM 0 HB2 ASP A 53 5.925 -10.385 -7.541 1.00 41.11 H new ATOM 0 HB3 ASP A 53 5.224 -11.935 -7.959 1.00 41.11 H new ATOM 829 N CYS A 54 4.696 -12.186 -11.264 1.00 44.21 N ATOM 830 CA CYS A 54 3.558 -12.830 -11.908 1.00 42.24 C ATOM 831 C CYS A 54 3.416 -14.276 -11.442 1.00 54.22 C ATOM 832 O CYS A 54 4.405 -14.940 -11.134 1.00 44.00 O ATOM 833 CB CYS A 54 3.715 -12.786 -13.430 1.00 14.13 C ATOM 834 SG CYS A 54 2.402 -11.856 -14.286 1.00 25.33 S ATOM 0 H CYS A 54 5.601 -12.425 -11.670 1.00 44.21 H new ATOM 0 HA CYS A 54 2.657 -12.286 -11.626 1.00 42.24 H new ATOM 0 HB2 CYS A 54 4.679 -12.339 -13.672 1.00 14.13 H new ATOM 0 HB3 CYS A 54 3.731 -13.807 -13.813 1.00 14.13 H new ATOM 839 N ASP A 55 2.178 -14.756 -11.394 1.00 22.44 N ATOM 840 CA ASP A 55 1.905 -16.124 -10.967 1.00 2.25 C ATOM 841 C ASP A 55 2.628 -17.127 -11.861 1.00 14.34 C ATOM 842 O ASP A 55 3.594 -17.764 -11.440 1.00 61.52 O ATOM 843 CB ASP A 55 0.400 -16.396 -10.986 1.00 23.02 C ATOM 844 CG ASP A 55 0.078 -17.874 -10.881 1.00 11.34 C ATOM 845 OD1 ASP A 55 0.216 -18.585 -11.898 1.00 35.21 O ATOM 846 OD2 ASP A 55 -0.311 -18.319 -9.781 1.00 13.31 O ATOM 0 H ASP A 55 1.348 -14.219 -11.645 1.00 22.44 H new ATOM 0 HA ASP A 55 2.274 -16.241 -9.948 1.00 2.25 H new ATOM 0 HB2 ASP A 55 -0.073 -15.864 -10.160 1.00 23.02 H new ATOM 0 HB3 ASP A 55 -0.027 -15.999 -11.907 1.00 23.02 H new