USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 1 ALA N :NH3+ 165:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 47 THR OG1 : rot -160:sc= 1 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0324 (180deg=-0.308) USER MOD Single : A 10 SER OG : rot 180:sc= 0 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=-0.016) USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= -0.135 (180deg=-0.98) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.38 K(o=-0.38,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.0176 (180deg=-0.406) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.0992 X(o=0.099,f=-0.22) USER MOD Single : A 41 ASN : amide:sc= -0.752 K(o=-0.75,f=-1.6) 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 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0714 X(o=-0.071,f=-0.46) USER MOD Single : A 50 ASN : amide:sc= -0.565 K(o=-0.57,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.511 0.379 -0.801 1.00 44.13 N ATOM 2 CA ALA A 1 2.250 -0.346 -0.711 1.00 63.25 C ATOM 3 C ALA A 1 2.238 -1.545 -1.654 1.00 1.10 C ATOM 4 O ALA A 1 3.147 -1.719 -2.466 1.00 51.22 O ATOM 5 CB ALA A 1 1.085 0.582 -1.020 1.00 34.23 C ATOM 0 H1 ALA A 1 3.407 1.313 -0.356 1.00 44.13 H new ATOM 0 H2 ALA A 1 4.255 -0.157 -0.310 1.00 44.13 H new ATOM 0 H3 ALA A 1 3.772 0.498 -1.801 1.00 44.13 H new ATOM 0 HA ALA A 1 2.144 -0.717 0.308 1.00 63.25 H new ATOM 0 HB1 ALA A 1 0.149 0.027 -0.949 1.00 34.23 H new ATOM 0 HB2 ALA A 1 1.075 1.404 -0.304 1.00 34.23 H new ATOM 0 HB3 ALA A 1 1.195 0.981 -2.029 1.00 34.23 H new ATOM 11 N LYS A 2 1.203 -2.370 -1.540 1.00 62.53 N ATOM 12 CA LYS A 2 1.071 -3.554 -2.382 1.00 44.53 C ATOM 13 C LYS A 2 -0.161 -3.451 -3.276 1.00 22.25 C ATOM 14 O LYS A 2 -1.235 -3.054 -2.824 1.00 73.21 O ATOM 15 CB LYS A 2 0.984 -4.813 -1.518 1.00 24.14 C ATOM 16 CG LYS A 2 2.188 -5.729 -1.654 1.00 63.12 C ATOM 17 CD LYS A 2 2.281 -6.705 -0.494 1.00 33.54 C ATOM 18 CE LYS A 2 3.569 -6.517 0.292 1.00 3.11 C ATOM 19 NZ LYS A 2 3.405 -6.889 1.725 1.00 51.33 N ATOM 0 H LYS A 2 0.443 -2.241 -0.872 1.00 62.53 H new ATOM 0 HA LYS A 2 1.955 -3.618 -3.017 1.00 44.53 H new ATOM 0 HB2 LYS A 2 0.877 -4.520 -0.474 1.00 24.14 H new ATOM 0 HB3 LYS A 2 0.085 -5.367 -1.787 1.00 24.14 H new ATOM 0 HG2 LYS A 2 2.121 -6.282 -2.591 1.00 63.12 H new ATOM 0 HG3 LYS A 2 3.098 -5.131 -1.701 1.00 63.12 H new ATOM 0 HD2 LYS A 2 1.426 -6.567 0.168 1.00 33.54 H new ATOM 0 HD3 LYS A 2 2.230 -7.726 -0.872 1.00 33.54 H new ATOM 0 HE2 LYS A 2 4.357 -7.124 -0.153 1.00 3.11 H new ATOM 0 HE3 LYS A 2 3.889 -5.477 0.221 1.00 3.11 H new ATOM 0 HZ1 LYS A 2 4.305 -6.747 2.226 1.00 51.33 H new ATOM 0 HZ2 LYS A 2 2.671 -6.293 2.157 1.00 51.33 H new ATOM 0 HZ3 LYS A 2 3.125 -7.888 1.794 1.00 51.33 H new ATOM 33 N TYR A 3 0.002 -3.813 -4.543 1.00 54.33 N ATOM 34 CA TYR A 3 -1.098 -3.761 -5.500 1.00 3.52 C ATOM 35 C TYR A 3 -1.360 -5.137 -6.104 1.00 45.44 C ATOM 36 O TYR A 3 -0.434 -5.828 -6.530 1.00 23.33 O ATOM 37 CB TYR A 3 -0.789 -2.754 -6.609 1.00 64.14 C ATOM 38 CG TYR A 3 -0.858 -1.313 -6.156 1.00 63.24 C ATOM 39 CD1 TYR A 3 -2.080 -0.693 -5.930 1.00 32.21 C ATOM 40 CD2 TYR A 3 0.300 -0.572 -5.954 1.00 22.01 C ATOM 41 CE1 TYR A 3 -2.148 0.623 -5.517 1.00 2.23 C ATOM 42 CE2 TYR A 3 0.242 0.745 -5.539 1.00 62.53 C ATOM 43 CZ TYR A 3 -0.984 1.338 -5.323 1.00 30.24 C ATOM 44 OH TYR A 3 -1.047 2.649 -4.910 1.00 31.13 O ATOM 0 H TYR A 3 0.884 -4.146 -4.932 1.00 54.33 H new ATOM 0 HA TYR A 3 -1.994 -3.442 -4.968 1.00 3.52 H new ATOM 0 HB2 TYR A 3 0.207 -2.955 -7.003 1.00 64.14 H new ATOM 0 HB3 TYR A 3 -1.492 -2.902 -7.429 1.00 64.14 H new ATOM 0 HD1 TYR A 3 -2.993 -1.250 -6.080 1.00 32.21 H new ATOM 0 HD2 TYR A 3 1.262 -1.033 -6.124 1.00 22.01 H new ATOM 0 HE1 TYR A 3 -3.107 1.090 -5.347 1.00 2.23 H new ATOM 0 HE2 TYR A 3 1.152 1.306 -5.385 1.00 62.53 H new ATOM 0 HH TYR A 3 -0.139 3.008 -4.820 1.00 31.13 H new ATOM 54 N THR A 4 -2.630 -5.528 -6.140 1.00 25.21 N ATOM 55 CA THR A 4 -3.016 -6.821 -6.691 1.00 44.13 C ATOM 56 C THR A 4 -3.502 -6.682 -8.129 1.00 74.02 C ATOM 57 O THR A 4 -4.358 -5.850 -8.428 1.00 3.44 O ATOM 58 CB THR A 4 -4.122 -7.483 -5.849 1.00 24.55 C ATOM 59 OG1 THR A 4 -4.464 -8.758 -6.405 1.00 11.25 O ATOM 60 CG2 THR A 4 -5.359 -6.601 -5.790 1.00 13.10 C ATOM 0 H THR A 4 -3.409 -4.968 -5.794 1.00 25.21 H new ATOM 0 HA THR A 4 -2.127 -7.452 -6.670 1.00 44.13 H new ATOM 0 HB THR A 4 -3.744 -7.619 -4.836 1.00 24.55 H new ATOM 0 HG1 THR A 4 -5.167 -9.173 -5.863 1.00 11.25 H new ATOM 0 HG21 THR A 4 -6.126 -7.090 -5.190 1.00 13.10 H new ATOM 0 HG22 THR A 4 -5.101 -5.643 -5.339 1.00 13.10 H new ATOM 0 HG23 THR A 4 -5.737 -6.437 -6.799 1.00 13.10 H new ATOM 68 N GLY A 5 -2.952 -7.504 -9.018 1.00 31.14 N ATOM 69 CA GLY A 5 -3.344 -7.457 -10.414 1.00 42.22 C ATOM 70 C GLY A 5 -3.471 -8.837 -11.028 1.00 33.03 C ATOM 71 O GLY A 5 -2.928 -9.810 -10.505 1.00 31.25 O ATOM 0 H GLY A 5 -2.242 -8.202 -8.796 1.00 31.14 H new ATOM 0 HA2 GLY A 5 -4.296 -6.934 -10.503 1.00 42.22 H new ATOM 0 HA3 GLY A 5 -2.609 -6.879 -10.975 1.00 42.22 H new ATOM 75 N LYS A 6 -4.193 -8.924 -12.140 1.00 43.11 N ATOM 76 CA LYS A 6 -4.391 -10.195 -12.826 1.00 54.14 C ATOM 77 C LYS A 6 -3.796 -10.154 -14.230 1.00 70.12 C ATOM 78 O LYS A 6 -3.882 -9.140 -14.923 1.00 12.31 O ATOM 79 CB LYS A 6 -5.883 -10.529 -12.903 1.00 61.01 C ATOM 80 CG LYS A 6 -6.546 -10.666 -11.544 1.00 12.35 C ATOM 81 CD LYS A 6 -7.833 -9.862 -11.468 1.00 14.23 C ATOM 82 CE LYS A 6 -9.026 -10.672 -11.953 1.00 2.10 C ATOM 83 NZ LYS A 6 -9.969 -9.844 -12.754 1.00 74.34 N ATOM 0 H LYS A 6 -4.651 -8.129 -12.585 1.00 43.11 H new ATOM 0 HA LYS A 6 -3.880 -10.971 -12.256 1.00 54.14 H new ATOM 0 HB2 LYS A 6 -6.392 -9.750 -13.470 1.00 61.01 H new ATOM 0 HB3 LYS A 6 -6.010 -11.460 -13.456 1.00 61.01 H new ATOM 0 HG2 LYS A 6 -6.760 -11.716 -11.347 1.00 12.35 H new ATOM 0 HG3 LYS A 6 -5.859 -10.329 -10.767 1.00 12.35 H new ATOM 0 HD2 LYS A 6 -8.003 -9.542 -10.440 1.00 14.23 H new ATOM 0 HD3 LYS A 6 -7.735 -8.959 -12.071 1.00 14.23 H new ATOM 0 HE2 LYS A 6 -8.675 -11.509 -12.556 1.00 2.10 H new ATOM 0 HE3 LYS A 6 -9.551 -11.094 -11.096 1.00 2.10 H new ATOM 0 HZ1 LYS A 6 -10.768 -10.432 -13.066 1.00 74.34 H new ATOM 0 HZ2 LYS A 6 -10.323 -9.059 -12.171 1.00 74.34 H new ATOM 0 HZ3 LYS A 6 -9.475 -9.462 -13.586 1.00 74.34 H new ATOM 97 N CYS A 7 -3.193 -11.263 -14.645 1.00 33.42 N ATOM 98 CA CYS A 7 -2.584 -11.355 -15.966 1.00 74.32 C ATOM 99 C CYS A 7 -3.155 -12.536 -16.747 1.00 40.21 C ATOM 100 O CYS A 7 -3.793 -13.422 -16.178 1.00 11.14 O ATOM 101 CB CYS A 7 -1.066 -11.498 -15.842 1.00 52.45 C ATOM 102 SG CYS A 7 -0.517 -13.140 -15.278 1.00 21.13 S ATOM 0 H CYS A 7 -3.113 -12.111 -14.084 1.00 33.42 H new ATOM 0 HA CYS A 7 -2.813 -10.438 -16.509 1.00 74.32 H new ATOM 0 HB2 CYS A 7 -0.612 -11.288 -16.810 1.00 52.45 H new ATOM 0 HB3 CYS A 7 -0.697 -10.745 -15.146 1.00 52.45 H new ATOM 107 N THR A 8 -2.920 -12.541 -18.056 1.00 35.43 N ATOM 108 CA THR A 8 -3.411 -13.611 -18.915 1.00 61.25 C ATOM 109 C THR A 8 -2.257 -14.387 -19.540 1.00 31.30 C ATOM 110 O THR A 8 -1.173 -13.844 -19.754 1.00 11.03 O ATOM 111 CB THR A 8 -4.312 -13.062 -20.037 1.00 41.35 C ATOM 112 OG1 THR A 8 -4.249 -11.631 -20.060 1.00 33.31 O ATOM 113 CG2 THR A 8 -5.753 -13.508 -19.842 1.00 21.21 C ATOM 0 H THR A 8 -2.393 -11.816 -18.544 1.00 35.43 H new ATOM 0 HA THR A 8 -3.996 -14.280 -18.284 1.00 61.25 H new ATOM 0 HB THR A 8 -3.952 -13.457 -20.987 1.00 41.35 H new ATOM 0 HG1 THR A 8 -4.938 -11.283 -20.664 1.00 33.31 H new ATOM 0 HG21 THR A 8 -6.370 -13.108 -20.647 1.00 21.21 H new ATOM 0 HG22 THR A 8 -5.802 -14.597 -19.855 1.00 21.21 H new ATOM 0 HG23 THR A 8 -6.122 -13.139 -18.885 1.00 21.21 H new ATOM 121 N LYS A 9 -2.496 -15.661 -19.832 1.00 35.22 N ATOM 122 CA LYS A 9 -1.478 -16.513 -20.434 1.00 70.14 C ATOM 123 C LYS A 9 -1.321 -16.206 -21.920 1.00 42.41 C ATOM 124 O LYS A 9 -0.275 -16.472 -22.511 1.00 45.34 O ATOM 125 CB LYS A 9 -1.839 -17.988 -20.243 1.00 51.13 C ATOM 126 CG LYS A 9 -2.940 -18.470 -21.172 1.00 41.14 C ATOM 127 CD LYS A 9 -3.221 -19.951 -20.982 1.00 53.13 C ATOM 128 CE LYS A 9 -2.008 -20.798 -21.334 1.00 72.40 C ATOM 129 NZ LYS A 9 -1.555 -20.564 -22.733 1.00 4.01 N ATOM 0 H LYS A 9 -3.387 -16.127 -19.661 1.00 35.22 H new ATOM 0 HA LYS A 9 -0.530 -16.310 -19.936 1.00 70.14 H new ATOM 0 HB2 LYS A 9 -0.948 -18.595 -20.403 1.00 51.13 H new ATOM 0 HB3 LYS A 9 -2.151 -18.146 -19.211 1.00 51.13 H new ATOM 0 HG2 LYS A 9 -3.850 -17.899 -20.986 1.00 41.14 H new ATOM 0 HG3 LYS A 9 -2.652 -18.283 -22.207 1.00 41.14 H new ATOM 0 HD2 LYS A 9 -3.509 -20.138 -19.947 1.00 53.13 H new ATOM 0 HD3 LYS A 9 -4.065 -20.245 -21.606 1.00 53.13 H new ATOM 0 HE2 LYS A 9 -1.194 -20.570 -20.646 1.00 72.40 H new ATOM 0 HE3 LYS A 9 -2.251 -21.852 -21.203 1.00 72.40 H new ATOM 0 HZ1 LYS A 9 -0.904 -21.323 -23.019 1.00 4.01 H new ATOM 0 HZ2 LYS A 9 -2.379 -20.557 -23.368 1.00 4.01 H new ATOM 0 HZ3 LYS A 9 -1.065 -19.648 -22.791 1.00 4.01 H new ATOM 143 N SER A 10 -2.366 -15.643 -22.517 1.00 55.41 N ATOM 144 CA SER A 10 -2.345 -15.301 -23.935 1.00 1.04 C ATOM 145 C SER A 10 -1.653 -13.960 -24.160 1.00 24.23 C ATOM 146 O SER A 10 -0.801 -13.827 -25.039 1.00 71.21 O ATOM 147 CB SER A 10 -3.769 -15.252 -24.491 1.00 32.11 C ATOM 148 OG SER A 10 -3.995 -16.308 -25.409 1.00 4.11 O ATOM 0 H SER A 10 -3.239 -15.414 -22.041 1.00 55.41 H new ATOM 0 HA SER A 10 -1.784 -16.073 -24.461 1.00 1.04 H new ATOM 0 HB2 SER A 10 -4.485 -15.319 -23.672 1.00 32.11 H new ATOM 0 HB3 SER A 10 -3.937 -14.295 -24.984 1.00 32.11 H new ATOM 0 HG SER A 10 -4.913 -16.255 -25.749 1.00 4.11 H new ATOM 154 N LYS A 11 -2.024 -12.968 -23.358 1.00 54.34 N ATOM 155 CA LYS A 11 -1.440 -11.636 -23.467 1.00 32.20 C ATOM 156 C LYS A 11 -0.186 -11.520 -22.606 1.00 74.30 C ATOM 157 O LYS A 11 0.606 -10.594 -22.769 1.00 42.22 O ATOM 158 CB LYS A 11 -2.459 -10.574 -23.048 1.00 72.02 C ATOM 159 CG LYS A 11 -3.847 -10.803 -23.621 1.00 71.31 C ATOM 160 CD LYS A 11 -4.842 -9.780 -23.100 1.00 3.33 C ATOM 161 CE LYS A 11 -6.276 -10.239 -23.311 1.00 13.22 C ATOM 162 NZ LYS A 11 -6.935 -9.504 -24.426 1.00 72.42 N ATOM 0 H LYS A 11 -2.727 -13.061 -22.625 1.00 54.34 H new ATOM 0 HA LYS A 11 -1.161 -11.473 -24.508 1.00 32.20 H new ATOM 0 HB2 LYS A 11 -2.523 -10.553 -21.960 1.00 72.02 H new ATOM 0 HB3 LYS A 11 -2.101 -9.594 -23.365 1.00 72.02 H new ATOM 0 HG2 LYS A 11 -3.806 -10.750 -24.709 1.00 71.31 H new ATOM 0 HG3 LYS A 11 -4.187 -11.806 -23.363 1.00 71.31 H new ATOM 0 HD2 LYS A 11 -4.666 -9.608 -22.038 1.00 3.33 H new ATOM 0 HD3 LYS A 11 -4.685 -8.828 -23.607 1.00 3.33 H new ATOM 0 HE2 LYS A 11 -6.288 -11.308 -23.524 1.00 13.22 H new ATOM 0 HE3 LYS A 11 -6.844 -10.091 -22.392 1.00 13.22 H new ATOM 0 HZ1 LYS A 11 -7.911 -9.846 -24.538 1.00 72.42 H new ATOM 0 HZ2 LYS A 11 -6.947 -8.486 -24.212 1.00 72.42 H new ATOM 0 HZ3 LYS A 11 -6.408 -9.666 -25.308 1.00 72.42 H new ATOM 176 N ASN A 12 -0.013 -12.468 -21.690 1.00 51.14 N ATOM 177 CA ASN A 12 1.145 -12.472 -20.804 1.00 64.05 C ATOM 178 C ASN A 12 1.354 -11.098 -20.176 1.00 4.41 C ATOM 179 O ASN A 12 2.487 -10.681 -19.935 1.00 12.22 O ATOM 180 CB ASN A 12 2.400 -12.890 -21.574 1.00 3.43 C ATOM 181 CG ASN A 12 3.146 -14.021 -20.893 1.00 71.31 C ATOM 182 OD1 ASN A 12 2.606 -15.112 -20.708 1.00 62.33 O ATOM 183 ND2 ASN A 12 4.393 -13.766 -20.516 1.00 43.53 N ATOM 0 H ASN A 12 -0.660 -13.243 -21.542 1.00 51.14 H new ATOM 0 HA ASN A 12 0.959 -13.191 -20.007 1.00 64.05 H new ATOM 0 HB2 ASN A 12 2.119 -13.198 -22.581 1.00 3.43 H new ATOM 0 HB3 ASN A 12 3.063 -12.031 -21.677 1.00 3.43 H new ATOM 0 HD21 ASN A 12 4.944 -14.489 -20.053 1.00 43.53 H new ATOM 0 HD22 ASN A 12 4.800 -12.847 -20.690 1.00 43.53 H new ATOM 190 N GLU A 13 0.254 -10.400 -19.913 1.00 41.51 N ATOM 191 CA GLU A 13 0.318 -9.072 -19.313 1.00 34.22 C ATOM 192 C GLU A 13 -0.623 -8.971 -18.116 1.00 13.14 C ATOM 193 O GLU A 13 -1.752 -9.462 -18.155 1.00 23.31 O ATOM 194 CB GLU A 13 -0.039 -8.003 -20.347 1.00 41.43 C ATOM 195 CG GLU A 13 -1.531 -7.880 -20.607 1.00 20.21 C ATOM 196 CD GLU A 13 -1.845 -7.518 -22.046 1.00 31.15 C ATOM 197 OE1 GLU A 13 -0.910 -7.137 -22.780 1.00 23.41 O ATOM 198 OE2 GLU A 13 -3.027 -7.616 -22.437 1.00 12.13 O ATOM 0 H GLU A 13 -0.691 -10.731 -20.106 1.00 41.51 H new ATOM 0 HA GLU A 13 1.338 -8.906 -18.967 1.00 34.22 H new ATOM 0 HB2 GLU A 13 0.342 -7.040 -20.008 1.00 41.43 H new ATOM 0 HB3 GLU A 13 0.467 -8.234 -21.285 1.00 41.43 H new ATOM 0 HG2 GLU A 13 -2.018 -8.823 -20.359 1.00 20.21 H new ATOM 0 HG3 GLU A 13 -1.950 -7.121 -19.946 1.00 20.21 H new ATOM 205 N CYS A 14 -0.150 -8.331 -17.052 1.00 15.44 N ATOM 206 CA CYS A 14 -0.947 -8.165 -15.842 1.00 0.32 C ATOM 207 C CYS A 14 -1.644 -6.807 -15.831 1.00 63.12 C ATOM 208 O CYS A 14 -1.312 -5.920 -16.618 1.00 2.13 O ATOM 209 CB CYS A 14 -0.063 -8.307 -14.601 1.00 14.51 C ATOM 210 SG CYS A 14 -0.939 -8.935 -13.132 1.00 71.25 S ATOM 0 H CYS A 14 0.782 -7.919 -17.003 1.00 15.44 H new ATOM 0 HA CYS A 14 -1.709 -8.944 -15.829 1.00 0.32 H new ATOM 0 HB2 CYS A 14 0.764 -8.978 -14.832 1.00 14.51 H new ATOM 0 HB3 CYS A 14 0.371 -7.336 -14.364 1.00 14.51 H new ATOM 215 N LYS A 15 -2.612 -6.652 -14.934 1.00 64.12 N ATOM 216 CA LYS A 15 -3.355 -5.403 -14.818 1.00 73.33 C ATOM 217 C LYS A 15 -3.632 -5.069 -13.356 1.00 51.41 C ATOM 218 O LYS A 15 -4.231 -5.862 -12.630 1.00 73.43 O ATOM 219 CB LYS A 15 -4.674 -5.498 -15.589 1.00 42.44 C ATOM 220 CG LYS A 15 -5.645 -6.513 -15.012 1.00 64.35 C ATOM 221 CD LYS A 15 -6.683 -5.850 -14.124 1.00 12.32 C ATOM 222 CE LYS A 15 -7.972 -5.574 -14.883 1.00 10.01 C ATOM 223 NZ LYS A 15 -7.859 -4.367 -15.748 1.00 20.02 N ATOM 0 H LYS A 15 -2.900 -7.376 -14.276 1.00 64.12 H new ATOM 0 HA LYS A 15 -2.747 -4.606 -15.246 1.00 73.33 H new ATOM 0 HB2 LYS A 15 -5.150 -4.518 -15.599 1.00 42.44 H new ATOM 0 HB3 LYS A 15 -4.461 -5.760 -16.625 1.00 42.44 H new ATOM 0 HG2 LYS A 15 -6.144 -7.042 -15.824 1.00 64.35 H new ATOM 0 HG3 LYS A 15 -5.095 -7.258 -14.437 1.00 64.35 H new ATOM 0 HD2 LYS A 15 -6.894 -6.491 -13.268 1.00 12.32 H new ATOM 0 HD3 LYS A 15 -6.283 -4.915 -13.731 1.00 12.32 H new ATOM 0 HE2 LYS A 15 -8.224 -6.439 -15.497 1.00 10.01 H new ATOM 0 HE3 LYS A 15 -8.789 -5.438 -14.174 1.00 10.01 H new ATOM 0 HZ1 LYS A 15 -8.767 -3.859 -15.756 1.00 20.02 H new ATOM 0 HZ2 LYS A 15 -7.116 -3.742 -15.376 1.00 20.02 H new ATOM 0 HZ3 LYS A 15 -7.615 -4.656 -16.717 1.00 20.02 H new ATOM 237 N TYR A 16 -3.194 -3.889 -12.931 1.00 24.11 N ATOM 238 CA TYR A 16 -3.394 -3.450 -11.555 1.00 24.11 C ATOM 239 C TYR A 16 -4.046 -2.072 -11.512 1.00 40.32 C ATOM 240 O TYR A 16 -4.071 -1.352 -12.511 1.00 3.34 O ATOM 241 CB TYR A 16 -2.059 -3.418 -10.808 1.00 61.45 C ATOM 242 CG TYR A 16 -0.963 -2.695 -11.558 1.00 61.21 C ATOM 243 CD1 TYR A 16 -0.184 -3.357 -12.500 1.00 14.15 C ATOM 244 CD2 TYR A 16 -0.707 -1.349 -11.326 1.00 23.45 C ATOM 245 CE1 TYR A 16 0.818 -2.700 -13.186 1.00 64.11 C ATOM 246 CE2 TYR A 16 0.293 -0.684 -12.008 1.00 61.15 C ATOM 247 CZ TYR A 16 1.053 -1.364 -12.937 1.00 41.13 C ATOM 248 OH TYR A 16 2.050 -0.706 -13.620 1.00 42.22 O ATOM 0 H TYR A 16 -2.698 -3.219 -13.520 1.00 24.11 H new ATOM 0 HA TYR A 16 -4.059 -4.162 -11.067 1.00 24.11 H new ATOM 0 HB2 TYR A 16 -2.205 -2.937 -9.841 1.00 61.45 H new ATOM 0 HB3 TYR A 16 -1.738 -4.441 -10.610 1.00 61.45 H new ATOM 0 HD1 TYR A 16 -0.366 -4.403 -12.699 1.00 14.15 H new ATOM 0 HD2 TYR A 16 -1.300 -0.814 -10.600 1.00 23.45 H new ATOM 0 HE1 TYR A 16 1.415 -3.230 -13.914 1.00 64.11 H new ATOM 0 HE2 TYR A 16 0.479 0.362 -11.815 1.00 61.15 H new ATOM 0 HH TYR A 16 2.084 0.229 -13.328 1.00 42.22 H new ATOM 258 N LYS A 17 -4.573 -1.710 -10.348 1.00 14.05 N ATOM 259 CA LYS A 17 -5.225 -0.418 -10.171 1.00 0.44 C ATOM 260 C LYS A 17 -4.349 0.526 -9.353 1.00 44.24 C ATOM 261 O LYS A 17 -4.030 0.248 -8.198 1.00 51.11 O ATOM 262 CB LYS A 17 -6.580 -0.597 -9.482 1.00 51.53 C ATOM 263 CG LYS A 17 -7.765 -0.322 -10.392 1.00 32.21 C ATOM 264 CD LYS A 17 -9.074 -0.327 -9.620 1.00 2.14 C ATOM 265 CE LYS A 17 -9.769 -1.677 -9.710 1.00 13.52 C ATOM 266 NZ LYS A 17 -11.009 -1.718 -8.886 1.00 0.23 N ATOM 0 H LYS A 17 -4.561 -2.294 -9.512 1.00 14.05 H new ATOM 0 HA LYS A 17 -5.380 0.020 -11.157 1.00 0.44 H new ATOM 0 HB2 LYS A 17 -6.653 -1.616 -9.102 1.00 51.53 H new ATOM 0 HB3 LYS A 17 -6.631 0.069 -8.621 1.00 51.53 H new ATOM 0 HG2 LYS A 17 -7.633 0.643 -10.881 1.00 32.21 H new ATOM 0 HG3 LYS A 17 -7.803 -1.075 -11.179 1.00 32.21 H new ATOM 0 HD2 LYS A 17 -8.882 -0.084 -8.575 1.00 2.14 H new ATOM 0 HD3 LYS A 17 -9.732 0.449 -10.012 1.00 2.14 H new ATOM 0 HE2 LYS A 17 -10.017 -1.889 -10.750 1.00 13.52 H new ATOM 0 HE3 LYS A 17 -9.087 -2.460 -9.379 1.00 13.52 H new ATOM 0 HZ1 LYS A 17 -11.453 -2.654 -8.974 1.00 0.23 H new ATOM 0 HZ2 LYS A 17 -10.770 -1.540 -7.890 1.00 0.23 H new ATOM 0 HZ3 LYS A 17 -11.671 -0.988 -9.218 1.00 0.23 H new ATOM 280 N ASN A 18 -3.963 1.644 -9.961 1.00 34.30 N ATOM 281 CA ASN A 18 -3.124 2.629 -9.289 1.00 15.14 C ATOM 282 C ASN A 18 -3.944 3.464 -8.309 1.00 71.13 C ATOM 283 O ASN A 18 -5.152 3.269 -8.171 1.00 22.22 O ATOM 284 CB ASN A 18 -2.451 3.542 -10.315 1.00 53.24 C ATOM 285 CG ASN A 18 -3.438 4.114 -11.315 1.00 0.52 C ATOM 286 OD1 ASN A 18 -4.651 4.048 -11.114 1.00 62.45 O ATOM 287 ND2 ASN A 18 -2.921 4.681 -12.399 1.00 25.03 N ATOM 0 H ASN A 18 -4.218 1.890 -10.918 1.00 34.30 H new ATOM 0 HA ASN A 18 -2.356 2.094 -8.730 1.00 15.14 H new ATOM 0 HB2 ASN A 18 -1.949 4.359 -9.796 1.00 53.24 H new ATOM 0 HB3 ASN A 18 -1.682 2.982 -10.847 1.00 53.24 H new ATOM 0 HD21 ASN A 18 -3.536 5.084 -13.106 1.00 25.03 H new ATOM 0 HD22 ASN A 18 -1.909 4.713 -12.524 1.00 25.03 H new ATOM 294 N ASP A 19 -3.279 4.394 -7.633 1.00 55.20 N ATOM 295 CA ASP A 19 -3.946 5.260 -6.668 1.00 10.44 C ATOM 296 C ASP A 19 -5.005 6.121 -7.350 1.00 45.20 C ATOM 297 O ASP A 19 -5.942 6.594 -6.708 1.00 52.05 O ATOM 298 CB ASP A 19 -2.925 6.152 -5.960 1.00 24.13 C ATOM 299 CG ASP A 19 -3.580 7.196 -5.078 1.00 13.13 C ATOM 300 OD1 ASP A 19 -4.453 6.823 -4.266 1.00 42.40 O ATOM 301 OD2 ASP A 19 -3.222 8.386 -5.200 1.00 4.43 O ATOM 0 H ASP A 19 -2.279 4.568 -7.735 1.00 55.20 H new ATOM 0 HA ASP A 19 -4.439 4.627 -5.930 1.00 10.44 H new ATOM 0 HB2 ASP A 19 -2.264 5.532 -5.354 1.00 24.13 H new ATOM 0 HB3 ASP A 19 -2.303 6.649 -6.705 1.00 24.13 H new ATOM 306 N ALA A 20 -4.847 6.321 -8.654 1.00 45.14 N ATOM 307 CA ALA A 20 -5.789 7.124 -9.424 1.00 2.12 C ATOM 308 C ALA A 20 -7.103 6.379 -9.633 1.00 23.25 C ATOM 309 O ALA A 20 -8.110 6.972 -10.016 1.00 61.14 O ATOM 310 CB ALA A 20 -5.181 7.512 -10.764 1.00 21.53 C ATOM 0 H ALA A 20 -4.075 5.938 -9.200 1.00 45.14 H new ATOM 0 HA ALA A 20 -6.002 8.031 -8.858 1.00 2.12 H new ATOM 0 HB1 ALA A 20 -5.896 8.111 -11.328 1.00 21.53 H new ATOM 0 HB2 ALA A 20 -4.273 8.092 -10.597 1.00 21.53 H new ATOM 0 HB3 ALA A 20 -4.938 6.611 -11.328 1.00 21.53 H new ATOM 316 N GLY A 21 -7.085 5.074 -9.378 1.00 22.15 N ATOM 317 CA GLY A 21 -8.281 4.269 -9.544 1.00 42.02 C ATOM 318 C GLY A 21 -8.385 3.666 -10.931 1.00 52.00 C ATOM 319 O GLY A 21 -9.141 2.719 -11.149 1.00 61.15 O ATOM 0 H GLY A 21 -6.263 4.560 -9.059 1.00 22.15 H new ATOM 0 HA2 GLY A 21 -8.283 3.470 -8.803 1.00 42.02 H new ATOM 0 HA3 GLY A 21 -9.160 4.885 -9.352 1.00 42.02 H new ATOM 323 N LYS A 22 -7.626 4.216 -11.872 1.00 42.34 N ATOM 324 CA LYS A 22 -7.635 3.728 -13.246 1.00 75.12 C ATOM 325 C LYS A 22 -6.936 2.376 -13.348 1.00 54.00 C ATOM 326 O LYS A 22 -6.004 2.090 -12.596 1.00 53.42 O ATOM 327 CB LYS A 22 -6.954 4.737 -14.173 1.00 11.42 C ATOM 328 CG LYS A 22 -7.876 5.849 -14.645 1.00 21.52 C ATOM 329 CD LYS A 22 -7.107 7.129 -14.927 1.00 34.33 C ATOM 330 CE LYS A 22 -7.971 8.359 -14.695 1.00 4.41 C ATOM 331 NZ LYS A 22 -7.264 9.387 -13.881 1.00 33.14 N ATOM 0 H LYS A 22 -6.996 5.001 -11.708 1.00 42.34 H new ATOM 0 HA LYS A 22 -8.673 3.605 -13.554 1.00 75.12 H new ATOM 0 HB2 LYS A 22 -6.103 5.178 -13.654 1.00 11.42 H new ATOM 0 HB3 LYS A 22 -6.559 4.210 -15.042 1.00 11.42 H new ATOM 0 HG2 LYS A 22 -8.399 5.531 -15.547 1.00 21.52 H new ATOM 0 HG3 LYS A 22 -8.636 6.039 -13.887 1.00 21.52 H new ATOM 0 HD2 LYS A 22 -6.227 7.175 -14.286 1.00 34.33 H new ATOM 0 HD3 LYS A 22 -6.751 7.122 -15.957 1.00 34.33 H new ATOM 0 HE2 LYS A 22 -8.256 8.789 -15.655 1.00 4.41 H new ATOM 0 HE3 LYS A 22 -8.892 8.066 -14.191 1.00 4.41 H new ATOM 0 HZ1 LYS A 22 -7.886 10.210 -13.745 1.00 33.14 H new ATOM 0 HZ2 LYS A 22 -7.014 8.985 -12.955 1.00 33.14 H new ATOM 0 HZ3 LYS A 22 -6.398 9.685 -14.374 1.00 33.14 H new ATOM 345 N ASP A 23 -7.391 1.549 -14.283 1.00 34.13 N ATOM 346 CA ASP A 23 -6.808 0.228 -14.484 1.00 63.15 C ATOM 347 C ASP A 23 -5.618 0.299 -15.436 1.00 42.24 C ATOM 348 O ASP A 23 -5.754 0.712 -16.589 1.00 1.14 O ATOM 349 CB ASP A 23 -7.858 -0.739 -15.033 1.00 13.00 C ATOM 350 CG ASP A 23 -8.391 -0.309 -16.386 1.00 24.02 C ATOM 351 OD1 ASP A 23 -9.034 0.759 -16.458 1.00 21.33 O ATOM 352 OD2 ASP A 23 -8.165 -1.041 -17.373 1.00 5.44 O ATOM 0 H ASP A 23 -8.162 1.770 -14.913 1.00 34.13 H new ATOM 0 HA ASP A 23 -6.458 -0.138 -13.519 1.00 63.15 H new ATOM 0 HB2 ASP A 23 -7.422 -1.734 -15.117 1.00 13.00 H new ATOM 0 HB3 ASP A 23 -8.685 -0.812 -14.327 1.00 13.00 H new ATOM 357 N THR A 24 -4.450 -0.105 -14.947 1.00 24.11 N ATOM 358 CA THR A 24 -3.235 -0.085 -15.753 1.00 33.15 C ATOM 359 C THR A 24 -2.749 -1.499 -16.049 1.00 71.04 C ATOM 360 O THR A 24 -2.626 -2.327 -15.146 1.00 52.51 O ATOM 361 CB THR A 24 -2.108 0.696 -15.051 1.00 15.31 C ATOM 362 OG1 THR A 24 -2.658 1.797 -14.318 1.00 33.54 O ATOM 363 CG2 THR A 24 -1.095 1.210 -16.062 1.00 52.35 C ATOM 0 H THR A 24 -4.319 -0.450 -13.996 1.00 24.11 H new ATOM 0 HA THR A 24 -3.485 0.414 -16.689 1.00 33.15 H new ATOM 0 HB THR A 24 -1.601 0.019 -14.364 1.00 15.31 H new ATOM 0 HG1 THR A 24 -1.964 2.190 -13.748 1.00 33.54 H new ATOM 0 HG21 THR A 24 -0.309 1.758 -15.543 1.00 52.35 H new ATOM 0 HG22 THR A 24 -0.657 0.368 -16.598 1.00 52.35 H new ATOM 0 HG23 THR A 24 -1.592 1.873 -16.771 1.00 52.35 H new ATOM 371 N PHE A 25 -2.473 -1.770 -17.321 1.00 1.02 N ATOM 372 CA PHE A 25 -2.000 -3.085 -17.737 1.00 22.12 C ATOM 373 C PHE A 25 -0.550 -3.018 -18.208 1.00 52.43 C ATOM 374 O PHE A 25 -0.156 -2.082 -18.905 1.00 1.45 O ATOM 375 CB PHE A 25 -2.886 -3.639 -18.854 1.00 71.42 C ATOM 376 CG PHE A 25 -3.153 -2.651 -19.953 1.00 70.34 C ATOM 377 CD1 PHE A 25 -2.245 -2.482 -20.986 1.00 50.41 C ATOM 378 CD2 PHE A 25 -4.312 -1.892 -19.954 1.00 1.33 C ATOM 379 CE1 PHE A 25 -2.488 -1.573 -21.999 1.00 62.44 C ATOM 380 CE2 PHE A 25 -4.560 -0.982 -20.964 1.00 72.45 C ATOM 381 CZ PHE A 25 -3.647 -0.822 -21.988 1.00 25.11 C ATOM 0 H PHE A 25 -2.569 -1.096 -18.081 1.00 1.02 H new ATOM 0 HA PHE A 25 -2.053 -3.752 -16.876 1.00 22.12 H new ATOM 0 HB2 PHE A 25 -2.411 -4.523 -19.279 1.00 71.42 H new ATOM 0 HB3 PHE A 25 -3.836 -3.961 -18.427 1.00 71.42 H new ATOM 0 HD1 PHE A 25 -1.337 -3.067 -21.000 1.00 50.41 H new ATOM 0 HD2 PHE A 25 -5.030 -2.013 -19.156 1.00 1.33 H new ATOM 0 HE1 PHE A 25 -1.772 -1.450 -22.798 1.00 62.44 H new ATOM 0 HE2 PHE A 25 -5.467 -0.396 -20.953 1.00 72.45 H new ATOM 0 HZ PHE A 25 -3.839 -0.111 -22.778 1.00 25.11 H new ATOM 391 N ILE A 26 0.238 -4.016 -17.823 1.00 51.34 N ATOM 392 CA ILE A 26 1.643 -4.070 -18.207 1.00 22.23 C ATOM 393 C ILE A 26 2.068 -5.497 -18.537 1.00 20.14 C ATOM 394 O ILE A 26 1.631 -6.452 -17.894 1.00 15.44 O ATOM 395 CB ILE A 26 2.553 -3.521 -17.092 1.00 15.42 C ATOM 396 CG1 ILE A 26 3.967 -3.287 -17.626 1.00 62.41 C ATOM 397 CG2 ILE A 26 2.578 -4.477 -15.909 1.00 61.43 C ATOM 398 CD1 ILE A 26 4.574 -1.977 -17.177 1.00 42.43 C ATOM 0 H ILE A 26 -0.072 -4.798 -17.246 1.00 51.34 H new ATOM 0 HA ILE A 26 1.752 -3.446 -19.094 1.00 22.23 H new ATOM 0 HB ILE A 26 2.151 -2.566 -16.753 1.00 15.42 H new ATOM 0 HG12 ILE A 26 4.609 -4.106 -17.301 1.00 62.41 H new ATOM 0 HG13 ILE A 26 3.944 -3.313 -18.715 1.00 62.41 H new ATOM 0 HG21 ILE A 26 3.225 -4.075 -15.130 1.00 61.43 H new ATOM 0 HG22 ILE A 26 1.568 -4.596 -15.516 1.00 61.43 H new ATOM 0 HG23 ILE A 26 2.958 -5.446 -16.232 1.00 61.43 H new ATOM 0 HD11 ILE A 26 5.576 -1.879 -17.594 1.00 42.43 H new ATOM 0 HD12 ILE A 26 3.954 -1.151 -17.525 1.00 42.43 H new ATOM 0 HD13 ILE A 26 4.630 -1.956 -16.089 1.00 42.43 H new ATOM 410 N LYS A 27 2.925 -5.636 -19.542 1.00 42.33 N ATOM 411 CA LYS A 27 3.413 -6.946 -19.957 1.00 43.52 C ATOM 412 C LYS A 27 4.268 -7.579 -18.864 1.00 42.22 C ATOM 413 O LYS A 27 4.933 -6.880 -18.098 1.00 53.03 O ATOM 414 CB LYS A 27 4.225 -6.824 -21.249 1.00 24.34 C ATOM 415 CG LYS A 27 4.991 -5.518 -21.366 1.00 13.45 C ATOM 416 CD LYS A 27 5.860 -5.269 -20.144 1.00 73.11 C ATOM 417 CE LYS A 27 6.870 -4.160 -20.395 1.00 63.42 C ATOM 418 NZ LYS A 27 8.139 -4.386 -19.648 1.00 74.32 N ATOM 0 H LYS A 27 3.297 -4.857 -20.085 1.00 42.33 H new ATOM 0 HA LYS A 27 2.551 -7.588 -20.136 1.00 43.52 H new ATOM 0 HB2 LYS A 27 4.929 -7.654 -21.305 1.00 24.34 H new ATOM 0 HB3 LYS A 27 3.552 -6.918 -22.101 1.00 24.34 H new ATOM 0 HG2 LYS A 27 5.615 -5.540 -22.259 1.00 13.45 H new ATOM 0 HG3 LYS A 27 4.289 -4.693 -21.488 1.00 13.45 H new ATOM 0 HD2 LYS A 27 5.229 -5.003 -19.296 1.00 73.11 H new ATOM 0 HD3 LYS A 27 6.384 -6.186 -19.876 1.00 73.11 H new ATOM 0 HE2 LYS A 27 7.083 -4.097 -21.462 1.00 63.42 H new ATOM 0 HE3 LYS A 27 6.440 -3.203 -20.099 1.00 63.42 H new ATOM 0 HZ1 LYS A 27 8.801 -3.609 -19.845 1.00 74.32 H new ATOM 0 HZ2 LYS A 27 7.940 -4.420 -18.628 1.00 74.32 H new ATOM 0 HZ3 LYS A 27 8.563 -5.287 -19.949 1.00 74.32 H new ATOM 432 N CYS A 28 4.248 -8.906 -18.798 1.00 1.21 N ATOM 433 CA CYS A 28 5.022 -9.634 -17.800 1.00 11.03 C ATOM 434 C CYS A 28 6.283 -10.231 -18.418 1.00 50.41 C ATOM 435 O CYS A 28 6.394 -10.387 -19.634 1.00 73.42 O ATOM 436 CB CYS A 28 4.173 -10.743 -17.175 1.00 71.24 C ATOM 437 SG CYS A 28 3.187 -10.207 -15.740 1.00 42.45 S ATOM 0 H CYS A 28 3.704 -9.499 -19.424 1.00 1.21 H new ATOM 0 HA CYS A 28 5.318 -8.930 -17.022 1.00 11.03 H new ATOM 0 HB2 CYS A 28 3.501 -11.143 -17.935 1.00 71.24 H new ATOM 0 HB3 CYS A 28 4.828 -11.558 -16.868 1.00 71.24 H new ATOM 442 N PRO A 29 7.257 -10.572 -17.562 1.00 2.13 N ATOM 443 CA PRO A 29 8.528 -11.157 -18.000 1.00 74.34 C ATOM 444 C PRO A 29 8.360 -12.578 -18.528 1.00 55.02 C ATOM 445 O PRO A 29 7.599 -13.372 -17.974 1.00 1.32 O ATOM 446 CB PRO A 29 9.377 -11.157 -16.727 1.00 32.02 C ATOM 447 CG PRO A 29 8.388 -11.185 -15.612 1.00 65.35 C ATOM 448 CD PRO A 29 7.193 -10.413 -16.099 1.00 65.11 C ATOM 0 HA PRO A 29 8.971 -10.598 -18.824 1.00 74.34 H new ATOM 0 HB2 PRO A 29 10.038 -12.023 -16.692 1.00 32.02 H new ATOM 0 HB3 PRO A 29 10.010 -10.271 -16.673 1.00 32.02 H new ATOM 0 HG2 PRO A 29 8.114 -12.209 -15.359 1.00 65.35 H new ATOM 0 HG3 PRO A 29 8.803 -10.734 -14.711 1.00 65.35 H new ATOM 0 HD2 PRO A 29 6.264 -10.812 -15.692 1.00 65.11 H new ATOM 0 HD3 PRO A 29 7.245 -9.364 -15.806 1.00 65.11 H new ATOM 456 N LYS A 30 9.074 -12.893 -19.603 1.00 63.20 N ATOM 457 CA LYS A 30 9.006 -14.219 -20.206 1.00 24.12 C ATOM 458 C LYS A 30 9.992 -15.172 -19.537 1.00 10.01 C ATOM 459 O LYS A 30 10.216 -16.285 -20.014 1.00 10.31 O ATOM 460 CB LYS A 30 9.299 -14.136 -21.706 1.00 2.35 C ATOM 461 CG LYS A 30 8.610 -15.216 -22.521 1.00 23.42 C ATOM 462 CD LYS A 30 7.354 -14.691 -23.195 1.00 42.21 C ATOM 463 CE LYS A 30 6.204 -15.679 -23.079 1.00 31.04 C ATOM 464 NZ LYS A 30 6.301 -16.765 -24.092 1.00 60.45 N ATOM 0 H LYS A 30 9.707 -12.248 -20.075 1.00 63.20 H new ATOM 0 HA LYS A 30 7.997 -14.606 -20.060 1.00 24.12 H new ATOM 0 HB2 LYS A 30 8.987 -13.159 -22.075 1.00 2.35 H new ATOM 0 HB3 LYS A 30 10.376 -14.206 -21.862 1.00 2.35 H new ATOM 0 HG2 LYS A 30 9.297 -15.597 -23.277 1.00 23.42 H new ATOM 0 HG3 LYS A 30 8.353 -16.054 -21.873 1.00 23.42 H new ATOM 0 HD2 LYS A 30 7.067 -13.742 -22.742 1.00 42.21 H new ATOM 0 HD3 LYS A 30 7.560 -14.493 -24.247 1.00 42.21 H new ATOM 0 HE2 LYS A 30 6.199 -16.114 -22.080 1.00 31.04 H new ATOM 0 HE3 LYS A 30 5.258 -15.151 -23.202 1.00 31.04 H new ATOM 0 HZ1 LYS A 30 5.499 -17.417 -23.980 1.00 60.45 H new ATOM 0 HZ2 LYS A 30 6.280 -16.352 -25.046 1.00 60.45 H new ATOM 0 HZ3 LYS A 30 7.192 -17.285 -23.959 1.00 60.45 H new ATOM 478 N PHE A 31 10.577 -14.729 -18.429 1.00 42.01 N ATOM 479 CA PHE A 31 11.539 -15.543 -17.694 1.00 54.04 C ATOM 480 C PHE A 31 10.829 -16.619 -16.878 1.00 74.12 C ATOM 481 O PHE A 31 9.729 -16.403 -16.369 1.00 55.25 O ATOM 482 CB PHE A 31 12.385 -14.663 -16.772 1.00 52.23 C ATOM 483 CG PHE A 31 13.404 -13.836 -17.502 1.00 43.04 C ATOM 484 CD1 PHE A 31 14.633 -14.374 -17.848 1.00 62.24 C ATOM 485 CD2 PHE A 31 13.134 -12.520 -17.842 1.00 72.23 C ATOM 486 CE1 PHE A 31 15.573 -13.616 -18.521 1.00 25.24 C ATOM 487 CE2 PHE A 31 14.070 -11.758 -18.515 1.00 12.42 C ATOM 488 CZ PHE A 31 15.292 -12.306 -18.853 1.00 54.23 C ATOM 0 H PHE A 31 10.402 -13.811 -18.020 1.00 42.01 H new ATOM 0 HA PHE A 31 12.192 -16.032 -18.417 1.00 54.04 H new ATOM 0 HB2 PHE A 31 11.726 -14.001 -16.210 1.00 52.23 H new ATOM 0 HB3 PHE A 31 12.895 -15.296 -16.046 1.00 52.23 H new ATOM 0 HD1 PHE A 31 14.859 -15.398 -17.589 1.00 62.24 H new ATOM 0 HD2 PHE A 31 12.181 -12.085 -17.578 1.00 72.23 H new ATOM 0 HE1 PHE A 31 16.526 -14.048 -18.787 1.00 25.24 H new ATOM 0 HE2 PHE A 31 13.846 -10.734 -18.777 1.00 12.42 H new ATOM 0 HZ PHE A 31 16.026 -11.711 -19.376 1.00 54.23 H new ATOM 498 N ASP A 32 11.466 -17.779 -16.758 1.00 54.43 N ATOM 499 CA ASP A 32 10.896 -18.889 -16.004 1.00 24.30 C ATOM 500 C ASP A 32 10.695 -18.506 -14.541 1.00 53.13 C ATOM 501 O ASP A 32 9.942 -19.156 -13.817 1.00 63.32 O ATOM 502 CB ASP A 32 11.802 -20.118 -16.102 1.00 4.41 C ATOM 503 CG ASP A 32 11.483 -20.978 -17.309 1.00 2.22 C ATOM 504 OD1 ASP A 32 11.674 -20.498 -18.446 1.00 24.43 O ATOM 505 OD2 ASP A 32 11.041 -22.130 -17.116 1.00 63.14 O ATOM 0 H ASP A 32 12.377 -17.975 -17.173 1.00 54.43 H new ATOM 0 HA ASP A 32 9.924 -19.128 -16.435 1.00 24.30 H new ATOM 0 HB2 ASP A 32 12.842 -19.796 -16.154 1.00 4.41 H new ATOM 0 HB3 ASP A 32 11.698 -20.715 -15.196 1.00 4.41 H new ATOM 510 N ASN A 33 11.373 -17.446 -14.114 1.00 22.14 N ATOM 511 CA ASN A 33 11.270 -16.977 -12.737 1.00 33.15 C ATOM 512 C ASN A 33 9.886 -16.396 -12.462 1.00 72.33 C ATOM 513 O ASN A 33 9.367 -16.497 -11.350 1.00 40.22 O ATOM 514 CB ASN A 33 12.343 -15.924 -12.453 1.00 14.24 C ATOM 515 CG ASN A 33 13.683 -16.284 -13.065 1.00 15.14 C ATOM 516 OD1 ASN A 33 14.201 -17.379 -12.850 1.00 24.43 O ATOM 517 ND2 ASN A 33 14.250 -15.360 -13.832 1.00 34.21 N ATOM 0 H ASN A 33 11.999 -16.896 -14.701 1.00 22.14 H new ATOM 0 HA ASN A 33 11.424 -17.830 -12.077 1.00 33.15 H new ATOM 0 HB2 ASN A 33 12.015 -14.961 -12.844 1.00 14.24 H new ATOM 0 HB3 ASN A 33 12.458 -15.808 -11.375 1.00 14.24 H new ATOM 0 HD21 ASN A 33 15.152 -15.545 -14.271 1.00 34.21 H new ATOM 0 HD22 ASN A 33 13.783 -14.466 -13.982 1.00 34.21 H new ATOM 524 N LYS A 34 9.292 -15.789 -13.484 1.00 2.51 N ATOM 525 CA LYS A 34 7.968 -15.193 -13.356 1.00 13.34 C ATOM 526 C LYS A 34 7.291 -15.072 -14.717 1.00 42.34 C ATOM 527 O LYS A 34 7.837 -14.469 -15.642 1.00 71.00 O ATOM 528 CB LYS A 34 8.068 -13.814 -12.700 1.00 14.34 C ATOM 529 CG LYS A 34 8.172 -13.867 -11.185 1.00 54.32 C ATOM 530 CD LYS A 34 9.595 -13.621 -10.715 1.00 45.51 C ATOM 531 CE LYS A 34 9.974 -12.152 -10.830 1.00 2.15 C ATOM 532 NZ LYS A 34 10.950 -11.915 -11.930 1.00 15.35 N ATOM 0 H LYS A 34 9.707 -15.697 -14.411 1.00 2.51 H new ATOM 0 HA LYS A 34 7.363 -15.845 -12.726 1.00 13.34 H new ATOM 0 HB2 LYS A 34 8.940 -13.294 -13.098 1.00 14.34 H new ATOM 0 HB3 LYS A 34 7.193 -13.226 -12.975 1.00 14.34 H new ATOM 0 HG2 LYS A 34 7.509 -13.120 -10.748 1.00 54.32 H new ATOM 0 HG3 LYS A 34 7.834 -14.841 -10.830 1.00 54.32 H new ATOM 0 HD2 LYS A 34 9.698 -13.944 -9.679 1.00 45.51 H new ATOM 0 HD3 LYS A 34 10.284 -14.223 -11.307 1.00 45.51 H new ATOM 0 HE2 LYS A 34 9.077 -11.558 -11.006 1.00 2.15 H new ATOM 0 HE3 LYS A 34 10.401 -11.812 -9.886 1.00 2.15 H new ATOM 0 HZ1 LYS A 34 11.507 -11.062 -11.722 1.00 15.35 H new ATOM 0 HZ2 LYS A 34 11.587 -12.733 -12.011 1.00 15.35 H new ATOM 0 HZ3 LYS A 34 10.438 -11.785 -12.826 1.00 15.35 H new ATOM 546 N LYS A 35 6.099 -15.647 -14.834 1.00 42.10 N ATOM 547 CA LYS A 35 5.346 -15.602 -16.082 1.00 0.43 C ATOM 548 C LYS A 35 3.899 -16.029 -15.859 1.00 53.13 C ATOM 549 O LYS A 35 3.542 -16.513 -14.785 1.00 72.40 O ATOM 550 CB LYS A 35 6.000 -16.505 -17.129 1.00 44.15 C ATOM 551 CG LYS A 35 5.921 -17.984 -16.792 1.00 40.25 C ATOM 552 CD LYS A 35 6.073 -18.847 -18.033 1.00 61.44 C ATOM 553 CE LYS A 35 7.252 -19.800 -17.908 1.00 60.32 C ATOM 554 NZ LYS A 35 6.950 -21.136 -18.493 1.00 61.11 N ATOM 0 H LYS A 35 5.633 -16.150 -14.079 1.00 42.10 H new ATOM 0 HA LYS A 35 5.352 -14.574 -16.444 1.00 0.43 H new ATOM 0 HB2 LYS A 35 5.521 -16.335 -18.093 1.00 44.15 H new ATOM 0 HB3 LYS A 35 7.047 -16.221 -17.238 1.00 44.15 H new ATOM 0 HG2 LYS A 35 6.701 -18.237 -16.074 1.00 40.25 H new ATOM 0 HG3 LYS A 35 4.966 -18.199 -16.313 1.00 40.25 H new ATOM 0 HD2 LYS A 35 5.158 -19.417 -18.195 1.00 61.44 H new ATOM 0 HD3 LYS A 35 6.210 -18.209 -18.906 1.00 61.44 H new ATOM 0 HE2 LYS A 35 8.120 -19.372 -18.410 1.00 60.32 H new ATOM 0 HE3 LYS A 35 7.516 -19.915 -16.857 1.00 60.32 H new ATOM 0 HZ1 LYS A 35 7.778 -21.756 -18.388 1.00 61.11 H new ATOM 0 HZ2 LYS A 35 6.138 -21.556 -17.998 1.00 61.11 H new ATOM 0 HZ3 LYS A 35 6.723 -21.030 -19.502 1.00 61.11 H new ATOM 568 N CYS A 36 3.069 -15.848 -16.882 1.00 4.44 N ATOM 569 CA CYS A 36 1.661 -16.215 -16.799 1.00 20.11 C ATOM 570 C CYS A 36 1.410 -17.562 -17.471 1.00 52.21 C ATOM 571 O CYS A 36 1.621 -17.717 -18.674 1.00 73.35 O ATOM 572 CB CYS A 36 0.792 -15.138 -17.450 1.00 41.54 C ATOM 573 SG CYS A 36 -0.639 -14.629 -16.445 1.00 55.44 S ATOM 0 H CYS A 36 3.348 -15.449 -17.778 1.00 4.44 H new ATOM 0 HA CYS A 36 1.395 -16.299 -15.745 1.00 20.11 H new ATOM 0 HB2 CYS A 36 1.409 -14.263 -17.654 1.00 41.54 H new ATOM 0 HB3 CYS A 36 0.434 -15.507 -18.411 1.00 41.54 H new ATOM 578 N THR A 37 0.957 -18.534 -16.685 1.00 64.13 N ATOM 579 CA THR A 37 0.678 -19.868 -17.203 1.00 0.51 C ATOM 580 C THR A 37 -0.812 -20.056 -17.461 1.00 55.01 C ATOM 581 O THR A 37 -1.208 -20.776 -18.378 1.00 33.10 O ATOM 582 CB THR A 37 1.161 -20.960 -16.231 1.00 22.25 C ATOM 583 OG1 THR A 37 1.190 -20.448 -14.893 1.00 73.45 O ATOM 584 CG2 THR A 37 2.546 -21.456 -16.619 1.00 32.23 C ATOM 0 H THR A 37 0.776 -18.422 -15.687 1.00 64.13 H new ATOM 0 HA THR A 37 1.222 -19.963 -18.143 1.00 0.51 H new ATOM 0 HB THR A 37 0.464 -21.797 -16.285 1.00 22.25 H new ATOM 0 HG1 THR A 37 1.497 -21.149 -14.281 1.00 73.45 H new ATOM 0 HG21 THR A 37 2.866 -22.227 -15.918 1.00 32.23 H new ATOM 0 HG22 THR A 37 2.515 -21.872 -17.626 1.00 32.23 H new ATOM 0 HG23 THR A 37 3.251 -20.625 -16.591 1.00 32.23 H new ATOM 592 N LYS A 38 -1.636 -19.404 -16.648 1.00 12.14 N ATOM 593 CA LYS A 38 -3.084 -19.497 -16.789 1.00 34.44 C ATOM 594 C LYS A 38 -3.715 -18.110 -16.861 1.00 63.31 C ATOM 595 O LYS A 38 -3.164 -17.140 -16.340 1.00 51.04 O ATOM 596 CB LYS A 38 -3.682 -20.280 -15.617 1.00 60.22 C ATOM 597 CG LYS A 38 -4.887 -21.122 -16.000 1.00 24.40 C ATOM 598 CD LYS A 38 -4.569 -22.607 -15.945 1.00 61.32 C ATOM 599 CE LYS A 38 -3.606 -23.012 -17.051 1.00 32.51 C ATOM 600 NZ LYS A 38 -3.944 -24.347 -17.619 1.00 22.13 N ATOM 0 H LYS A 38 -1.325 -18.805 -15.884 1.00 12.14 H new ATOM 0 HA LYS A 38 -3.300 -20.024 -17.719 1.00 34.44 H new ATOM 0 HB2 LYS A 38 -2.915 -20.929 -15.196 1.00 60.22 H new ATOM 0 HB3 LYS A 38 -3.973 -19.580 -14.834 1.00 60.22 H new ATOM 0 HG2 LYS A 38 -5.715 -20.901 -15.327 1.00 24.40 H new ATOM 0 HG3 LYS A 38 -5.214 -20.856 -17.005 1.00 24.40 H new ATOM 0 HD2 LYS A 38 -4.135 -22.852 -14.976 1.00 61.32 H new ATOM 0 HD3 LYS A 38 -5.491 -23.181 -16.035 1.00 61.32 H new ATOM 0 HE2 LYS A 38 -3.628 -22.264 -17.844 1.00 32.51 H new ATOM 0 HE3 LYS A 38 -2.589 -23.031 -16.658 1.00 32.51 H new ATOM 0 HZ1 LYS A 38 -3.265 -24.587 -18.369 1.00 22.13 H new ATOM 0 HZ2 LYS A 38 -3.899 -25.065 -16.868 1.00 22.13 H new ATOM 0 HZ3 LYS A 38 -4.905 -24.322 -18.017 1.00 22.13 H new ATOM 614 N ASP A 39 -4.872 -18.024 -17.508 1.00 64.43 N ATOM 615 CA ASP A 39 -5.578 -16.756 -17.646 1.00 71.13 C ATOM 616 C ASP A 39 -6.202 -16.334 -16.320 1.00 32.53 C ATOM 617 O ASP A 39 -6.468 -17.168 -15.455 1.00 22.11 O ATOM 618 CB ASP A 39 -6.660 -16.865 -18.721 1.00 75.25 C ATOM 619 CG ASP A 39 -7.627 -18.003 -18.457 1.00 24.21 C ATOM 620 OD1 ASP A 39 -8.194 -18.053 -17.346 1.00 55.40 O ATOM 621 OD2 ASP A 39 -7.814 -18.845 -19.361 1.00 13.25 O ATOM 0 H ASP A 39 -5.341 -18.817 -17.945 1.00 64.43 H new ATOM 0 HA ASP A 39 -4.855 -15.997 -17.944 1.00 71.13 H new ATOM 0 HB2 ASP A 39 -7.213 -15.927 -18.772 1.00 75.25 H new ATOM 0 HB3 ASP A 39 -6.189 -17.011 -19.693 1.00 75.25 H new ATOM 626 N ASN A 40 -6.432 -15.034 -16.166 1.00 73.55 N ATOM 627 CA ASN A 40 -7.024 -14.502 -14.944 1.00 44.23 C ATOM 628 C ASN A 40 -6.104 -14.734 -13.749 1.00 72.21 C ATOM 629 O ASN A 40 -6.541 -14.690 -12.600 1.00 23.22 O ATOM 630 CB ASN A 40 -8.386 -15.149 -14.688 1.00 22.53 C ATOM 631 CG ASN A 40 -9.368 -14.193 -14.039 1.00 23.11 C ATOM 632 OD1 ASN A 40 -10.317 -13.735 -14.674 1.00 73.04 O ATOM 633 ND2 ASN A 40 -9.142 -13.887 -12.767 1.00 12.15 N ATOM 0 H ASN A 40 -6.217 -14.330 -16.872 1.00 73.55 H new ATOM 0 HA ASN A 40 -7.159 -13.428 -15.073 1.00 44.23 H new ATOM 0 HB2 ASN A 40 -8.799 -15.505 -15.632 1.00 22.53 H new ATOM 0 HB3 ASN A 40 -8.256 -16.022 -14.048 1.00 22.53 H new ATOM 0 HD21 ASN A 40 -9.768 -13.248 -12.277 1.00 12.15 H new ATOM 0 HD22 ASN A 40 -8.342 -14.291 -12.280 1.00 12.15 H new ATOM 640 N ASN A 41 -4.829 -14.981 -14.030 1.00 22.12 N ATOM 641 CA ASN A 41 -3.847 -15.220 -12.978 1.00 72.30 C ATOM 642 C ASN A 41 -3.758 -14.024 -12.035 1.00 65.23 C ATOM 643 O ASN A 41 -4.567 -13.100 -12.108 1.00 54.32 O ATOM 644 CB ASN A 41 -2.474 -15.507 -13.589 1.00 1.41 C ATOM 645 CG ASN A 41 -1.877 -16.806 -13.085 1.00 64.33 C ATOM 646 OD1 ASN A 41 -2.062 -17.180 -11.927 1.00 4.42 O ATOM 647 ND2 ASN A 41 -1.155 -17.502 -13.956 1.00 73.42 N ATOM 0 H ASN A 41 -4.451 -15.021 -14.977 1.00 22.12 H new ATOM 0 HA ASN A 41 -4.170 -16.089 -12.404 1.00 72.30 H new ATOM 0 HB2 ASN A 41 -2.564 -15.549 -14.674 1.00 1.41 H new ATOM 0 HB3 ASN A 41 -1.797 -14.685 -13.357 1.00 1.41 H new ATOM 0 HD21 ASN A 41 -0.728 -18.384 -13.675 1.00 73.42 H new ATOM 0 HD22 ASN A 41 -1.028 -17.154 -14.906 1.00 73.42 H new ATOM 654 N LYS A 42 -2.767 -14.048 -11.150 1.00 62.43 N ATOM 655 CA LYS A 42 -2.568 -12.966 -10.193 1.00 73.25 C ATOM 656 C LYS A 42 -1.097 -12.572 -10.116 1.00 2.05 C ATOM 657 O LYS A 42 -0.210 -13.396 -10.340 1.00 60.14 O ATOM 658 CB LYS A 42 -3.069 -13.384 -8.809 1.00 54.40 C ATOM 659 CG LYS A 42 -4.145 -12.468 -8.250 1.00 22.11 C ATOM 660 CD LYS A 42 -5.480 -12.689 -8.941 1.00 62.01 C ATOM 661 CE LYS A 42 -6.040 -14.071 -8.643 1.00 20.23 C ATOM 662 NZ LYS A 42 -7.524 -14.105 -8.759 1.00 32.11 N ATOM 0 H LYS A 42 -2.088 -14.806 -11.076 1.00 62.43 H new ATOM 0 HA LYS A 42 -3.139 -12.103 -10.534 1.00 73.25 H new ATOM 0 HB2 LYS A 42 -3.461 -14.400 -8.865 1.00 54.40 H new ATOM 0 HB3 LYS A 42 -2.226 -13.405 -8.118 1.00 54.40 H new ATOM 0 HG2 LYS A 42 -4.255 -12.645 -7.180 1.00 22.11 H new ATOM 0 HG3 LYS A 42 -3.839 -11.429 -8.372 1.00 22.11 H new ATOM 0 HD2 LYS A 42 -6.190 -11.929 -8.614 1.00 62.01 H new ATOM 0 HD3 LYS A 42 -5.358 -12.569 -10.017 1.00 62.01 H new ATOM 0 HE2 LYS A 42 -5.605 -14.795 -9.332 1.00 20.23 H new ATOM 0 HE3 LYS A 42 -5.747 -14.372 -7.637 1.00 20.23 H new ATOM 0 HZ1 LYS A 42 -7.867 -15.064 -8.548 1.00 32.11 H new ATOM 0 HZ2 LYS A 42 -7.940 -13.432 -8.084 1.00 32.11 H new ATOM 0 HZ3 LYS A 42 -7.803 -13.842 -9.726 1.00 32.11 H new ATOM 676 N CYS A 43 -0.844 -11.308 -9.794 1.00 40.43 N ATOM 677 CA CYS A 43 0.520 -10.804 -9.685 1.00 53.23 C ATOM 678 C CYS A 43 0.676 -9.920 -8.451 1.00 61.11 C ATOM 679 O CYS A 43 -0.283 -9.685 -7.716 1.00 13.13 O ATOM 680 CB CYS A 43 0.896 -10.016 -10.941 1.00 44.34 C ATOM 681 SG CYS A 43 0.147 -10.656 -12.474 1.00 23.25 S ATOM 0 H CYS A 43 -1.566 -10.613 -9.604 1.00 40.43 H new ATOM 0 HA CYS A 43 1.190 -11.658 -9.586 1.00 53.23 H new ATOM 0 HB2 CYS A 43 0.595 -8.977 -10.809 1.00 44.34 H new ATOM 0 HB3 CYS A 43 1.981 -10.022 -11.049 1.00 44.34 H new ATOM 686 N THR A 44 1.893 -9.432 -8.230 1.00 31.23 N ATOM 687 CA THR A 44 2.176 -8.576 -7.085 1.00 42.52 C ATOM 688 C THR A 44 3.091 -7.421 -7.476 1.00 43.30 C ATOM 689 O THR A 44 4.028 -7.594 -8.256 1.00 53.12 O ATOM 690 CB THR A 44 2.831 -9.369 -5.938 1.00 54.42 C ATOM 691 OG1 THR A 44 3.264 -10.648 -6.412 1.00 73.53 O ATOM 692 CG2 THR A 44 1.858 -9.553 -4.783 1.00 54.55 C ATOM 0 H THR A 44 2.698 -9.615 -8.829 1.00 31.23 H new ATOM 0 HA THR A 44 1.220 -8.180 -6.743 1.00 42.52 H new ATOM 0 HB THR A 44 3.692 -8.804 -5.580 1.00 54.42 H new ATOM 0 HG1 THR A 44 3.681 -11.145 -5.677 1.00 73.53 H new ATOM 0 HG21 THR A 44 2.343 -10.116 -3.985 1.00 54.55 H new ATOM 0 HG22 THR A 44 1.553 -8.577 -4.405 1.00 54.55 H new ATOM 0 HG23 THR A 44 0.980 -10.098 -5.130 1.00 54.55 H new ATOM 700 N VAL A 45 2.815 -6.241 -6.928 1.00 70.34 N ATOM 701 CA VAL A 45 3.615 -5.057 -7.219 1.00 30.53 C ATOM 702 C VAL A 45 3.887 -4.254 -5.952 1.00 53.20 C ATOM 703 O VAL A 45 2.960 -3.868 -5.239 1.00 5.04 O ATOM 704 CB VAL A 45 2.920 -4.149 -8.250 1.00 72.44 C ATOM 705 CG1 VAL A 45 3.771 -2.923 -8.541 1.00 54.43 C ATOM 706 CG2 VAL A 45 2.628 -4.922 -9.528 1.00 43.53 C ATOM 0 H VAL A 45 2.044 -6.080 -6.280 1.00 70.34 H new ATOM 0 HA VAL A 45 4.560 -5.407 -7.634 1.00 30.53 H new ATOM 0 HB VAL A 45 1.972 -3.812 -7.832 1.00 72.44 H new ATOM 0 HG11 VAL A 45 3.264 -2.293 -9.272 1.00 54.43 H new ATOM 0 HG12 VAL A 45 3.924 -2.360 -7.621 1.00 54.43 H new ATOM 0 HG13 VAL A 45 4.736 -3.236 -8.940 1.00 54.43 H new ATOM 0 HG21 VAL A 45 2.137 -4.265 -10.246 1.00 43.53 H new ATOM 0 HG22 VAL A 45 3.562 -5.290 -9.952 1.00 43.53 H new ATOM 0 HG23 VAL A 45 1.976 -5.765 -9.302 1.00 43.53 H new ATOM 716 N ASP A 46 5.163 -4.004 -5.679 1.00 34.43 N ATOM 717 CA ASP A 46 5.557 -3.245 -4.498 1.00 43.42 C ATOM 718 C ASP A 46 5.990 -1.833 -4.881 1.00 4.35 C ATOM 719 O ASP A 46 6.784 -1.643 -5.803 1.00 1.22 O ATOM 720 CB ASP A 46 6.693 -3.958 -3.762 1.00 55.04 C ATOM 721 CG ASP A 46 6.286 -4.417 -2.376 1.00 14.42 C ATOM 722 OD1 ASP A 46 6.140 -3.554 -1.485 1.00 10.10 O ATOM 723 OD2 ASP A 46 6.114 -5.638 -2.181 1.00 74.43 O ATOM 0 H ASP A 46 5.942 -4.316 -6.259 1.00 34.43 H new ATOM 0 HA ASP A 46 4.694 -3.175 -3.836 1.00 43.42 H new ATOM 0 HB2 ASP A 46 7.017 -4.819 -4.346 1.00 55.04 H new ATOM 0 HB3 ASP A 46 7.548 -3.287 -3.683 1.00 55.04 H new ATOM 728 N THR A 47 5.463 -0.843 -4.166 1.00 72.30 N ATOM 729 CA THR A 47 5.793 0.551 -4.431 1.00 54.34 C ATOM 730 C THR A 47 7.069 0.962 -3.706 1.00 51.11 C ATOM 731 O THR A 47 7.686 1.974 -4.040 1.00 60.20 O ATOM 732 CB THR A 47 4.648 1.490 -4.005 1.00 4.11 C ATOM 733 OG1 THR A 47 3.530 0.722 -3.547 1.00 12.45 O ATOM 734 CG2 THR A 47 4.219 2.380 -5.161 1.00 42.34 C ATOM 0 H THR A 47 4.806 -0.982 -3.399 1.00 72.30 H new ATOM 0 HA THR A 47 5.945 0.641 -5.507 1.00 54.34 H new ATOM 0 HB THR A 47 5.010 2.124 -3.195 1.00 4.11 H new ATOM 0 HG1 THR A 47 2.720 1.272 -3.580 1.00 12.45 H new ATOM 0 HG21 THR A 47 3.410 3.034 -4.836 1.00 42.34 H new ATOM 0 HG22 THR A 47 5.065 2.985 -5.488 1.00 42.34 H new ATOM 0 HG23 THR A 47 3.874 1.760 -5.989 1.00 42.34 H new ATOM 742 N TYR A 48 7.460 0.171 -2.713 1.00 51.30 N ATOM 743 CA TYR A 48 8.663 0.454 -1.939 1.00 52.21 C ATOM 744 C TYR A 48 9.902 -0.096 -2.638 1.00 23.00 C ATOM 745 O TYR A 48 10.949 0.549 -2.669 1.00 0.53 O ATOM 746 CB TYR A 48 8.545 -0.146 -0.537 1.00 64.11 C ATOM 747 CG TYR A 48 8.364 0.888 0.551 1.00 33.21 C ATOM 748 CD1 TYR A 48 9.320 1.872 0.768 1.00 11.04 C ATOM 749 CD2 TYR A 48 7.235 0.881 1.361 1.00 31.14 C ATOM 750 CE1 TYR A 48 9.158 2.818 1.762 1.00 43.00 C ATOM 751 CE2 TYR A 48 7.064 1.824 2.356 1.00 21.04 C ATOM 752 CZ TYR A 48 8.029 2.790 2.553 1.00 12.01 C ATOM 753 OH TYR A 48 7.863 3.732 3.543 1.00 63.50 O ATOM 0 H TYR A 48 6.962 -0.671 -2.425 1.00 51.30 H new ATOM 0 HA TYR A 48 8.766 1.536 -1.856 1.00 52.21 H new ATOM 0 HB2 TYR A 48 7.701 -0.835 -0.516 1.00 64.11 H new ATOM 0 HB3 TYR A 48 9.440 -0.731 -0.325 1.00 64.11 H new ATOM 0 HD1 TYR A 48 10.205 1.898 0.149 1.00 11.04 H new ATOM 0 HD2 TYR A 48 6.478 0.125 1.210 1.00 31.14 H new ATOM 0 HE1 TYR A 48 9.912 3.575 1.919 1.00 43.00 H new ATOM 0 HE2 TYR A 48 6.180 1.805 2.976 1.00 21.04 H new ATOM 0 HH TYR A 48 7.015 3.572 4.007 1.00 63.50 H new ATOM 763 N ASN A 49 9.774 -1.294 -3.199 1.00 23.10 N ATOM 764 CA ASN A 49 10.883 -1.933 -3.898 1.00 43.03 C ATOM 765 C ASN A 49 10.704 -1.832 -5.410 1.00 55.10 C ATOM 766 O ASN A 49 11.585 -2.216 -6.177 1.00 43.10 O ATOM 767 CB ASN A 49 10.997 -3.401 -3.484 1.00 34.40 C ATOM 768 CG ASN A 49 10.659 -3.617 -2.021 1.00 73.25 C ATOM 769 OD1 ASN A 49 10.990 -2.794 -1.168 1.00 51.23 O ATOM 770 ND2 ASN A 49 9.996 -4.729 -1.725 1.00 71.34 N ATOM 0 H ASN A 49 8.914 -1.842 -3.183 1.00 23.10 H new ATOM 0 HA ASN A 49 11.800 -1.413 -3.623 1.00 43.03 H new ATOM 0 HB2 ASN A 49 10.330 -4.003 -4.101 1.00 34.40 H new ATOM 0 HB3 ASN A 49 12.011 -3.752 -3.676 1.00 34.40 H new ATOM 0 HD21 ASN A 49 9.741 -4.929 -0.758 1.00 71.34 H new ATOM 0 HD22 ASN A 49 9.742 -5.384 -2.465 1.00 71.34 H new ATOM 777 N ASN A 50 9.555 -1.312 -5.830 1.00 40.34 N ATOM 778 CA ASN A 50 9.259 -1.160 -7.250 1.00 41.34 C ATOM 779 C ASN A 50 9.478 -2.473 -7.995 1.00 74.22 C ATOM 780 O ASN A 50 9.822 -2.479 -9.177 1.00 13.33 O ATOM 781 CB ASN A 50 10.134 -0.063 -7.860 1.00 41.14 C ATOM 782 CG ASN A 50 9.685 0.326 -9.256 1.00 12.13 C ATOM 783 OD1 ASN A 50 8.668 -0.160 -9.751 1.00 31.45 O ATOM 784 ND2 ASN A 50 10.443 1.207 -9.897 1.00 43.32 N ATOM 0 H ASN A 50 8.814 -0.989 -5.208 1.00 40.34 H new ATOM 0 HA ASN A 50 8.211 -0.877 -7.349 1.00 41.34 H new ATOM 0 HB2 ASN A 50 10.111 0.816 -7.216 1.00 41.14 H new ATOM 0 HB3 ASN A 50 11.168 -0.405 -7.896 1.00 41.14 H new ATOM 0 HD21 ASN A 50 10.191 1.507 -10.839 1.00 43.32 H new ATOM 0 HD22 ASN A 50 11.278 1.584 -9.448 1.00 43.32 H new ATOM 791 N ALA A 51 9.275 -3.585 -7.295 1.00 53.34 N ATOM 792 CA ALA A 51 9.447 -4.904 -7.891 1.00 33.15 C ATOM 793 C ALA A 51 8.099 -5.566 -8.158 1.00 41.41 C ATOM 794 O ALA A 51 7.209 -5.551 -7.308 1.00 0.42 O ATOM 795 CB ALA A 51 10.298 -5.784 -6.987 1.00 44.41 C ATOM 0 H ALA A 51 8.991 -3.598 -6.315 1.00 53.34 H new ATOM 0 HA ALA A 51 9.958 -4.780 -8.846 1.00 33.15 H new ATOM 0 HB1 ALA A 51 10.419 -6.766 -7.444 1.00 44.41 H new ATOM 0 HB2 ALA A 51 11.277 -5.325 -6.849 1.00 44.41 H new ATOM 0 HB3 ALA A 51 9.809 -5.892 -6.019 1.00 44.41 H new ATOM 801 N VAL A 52 7.955 -6.145 -9.346 1.00 30.34 N ATOM 802 CA VAL A 52 6.716 -6.813 -9.725 1.00 55.22 C ATOM 803 C VAL A 52 6.931 -8.311 -9.904 1.00 71.33 C ATOM 804 O VAL A 52 7.983 -8.746 -10.373 1.00 72.05 O ATOM 805 CB VAL A 52 6.140 -6.229 -11.029 1.00 11.51 C ATOM 806 CG1 VAL A 52 6.052 -4.712 -10.942 1.00 21.52 C ATOM 807 CG2 VAL A 52 6.983 -6.654 -12.221 1.00 64.31 C ATOM 0 H VAL A 52 8.681 -6.165 -10.062 1.00 30.34 H new ATOM 0 HA VAL A 52 6.006 -6.645 -8.915 1.00 55.22 H new ATOM 0 HB VAL A 52 5.132 -6.620 -11.168 1.00 11.51 H new ATOM 0 HG11 VAL A 52 5.643 -4.317 -11.872 1.00 21.52 H new ATOM 0 HG12 VAL A 52 5.403 -4.432 -10.112 1.00 21.52 H new ATOM 0 HG13 VAL A 52 7.047 -4.299 -10.779 1.00 21.52 H new ATOM 0 HG21 VAL A 52 6.561 -6.232 -13.134 1.00 64.31 H new ATOM 0 HG22 VAL A 52 8.003 -6.293 -12.092 1.00 64.31 H new ATOM 0 HG23 VAL A 52 6.989 -7.742 -12.293 1.00 64.31 H new ATOM 817 N ASP A 53 5.928 -9.097 -9.528 1.00 54.41 N ATOM 818 CA ASP A 53 6.006 -10.548 -9.649 1.00 10.25 C ATOM 819 C ASP A 53 4.717 -11.115 -10.234 1.00 54.23 C ATOM 820 O ASP A 53 3.627 -10.873 -9.714 1.00 71.13 O ATOM 821 CB ASP A 53 6.282 -11.180 -8.283 1.00 71.04 C ATOM 822 CG ASP A 53 7.389 -12.214 -8.337 1.00 44.14 C ATOM 823 OD1 ASP A 53 8.573 -11.818 -8.294 1.00 53.10 O ATOM 824 OD2 ASP A 53 7.073 -13.419 -8.424 1.00 32.10 O ATOM 0 H ASP A 53 5.051 -8.753 -9.137 1.00 54.41 H new ATOM 0 HA ASP A 53 6.827 -10.788 -10.325 1.00 10.25 H new ATOM 0 HB2 ASP A 53 6.553 -10.399 -7.573 1.00 71.04 H new ATOM 0 HB3 ASP A 53 5.370 -11.647 -7.911 1.00 71.04 H new ATOM 829 N CYS A 54 4.848 -11.869 -11.320 1.00 72.41 N ATOM 830 CA CYS A 54 3.694 -12.470 -11.979 1.00 21.14 C ATOM 831 C CYS A 54 3.581 -13.952 -11.633 1.00 31.12 C ATOM 832 O CYS A 54 4.585 -14.660 -11.553 1.00 1.24 O ATOM 833 CB CYS A 54 3.798 -12.295 -13.495 1.00 33.40 C ATOM 834 SG CYS A 54 4.077 -10.576 -14.028 1.00 11.10 S ATOM 0 H CYS A 54 5.743 -12.079 -11.763 1.00 72.41 H new ATOM 0 HA CYS A 54 2.798 -11.962 -11.622 1.00 21.14 H new ATOM 0 HB2 CYS A 54 4.613 -12.916 -13.867 1.00 33.40 H new ATOM 0 HB3 CYS A 54 2.881 -12.663 -13.956 1.00 33.40 H new ATOM 839 N ASP A 55 2.352 -14.414 -11.429 1.00 62.15 N ATOM 840 CA ASP A 55 2.107 -15.812 -11.094 1.00 13.23 C ATOM 841 C ASP A 55 2.757 -16.739 -12.116 1.00 53.43 C ATOM 842 O ASP A 55 2.987 -17.917 -11.842 1.00 62.22 O ATOM 843 CB ASP A 55 0.603 -16.085 -11.022 1.00 65.04 C ATOM 844 CG ASP A 55 0.081 -16.080 -9.599 1.00 60.13 C ATOM 845 OD1 ASP A 55 0.702 -15.418 -8.741 1.00 54.43 O ATOM 846 OD2 ASP A 55 -0.949 -16.738 -9.344 1.00 0.14 O ATOM 0 H ASP A 55 1.510 -13.841 -11.490 1.00 62.15 H new ATOM 0 HA ASP A 55 2.552 -16.009 -10.119 1.00 13.23 H new ATOM 0 HB2 ASP A 55 0.072 -15.331 -11.603 1.00 65.04 H new ATOM 0 HB3 ASP A 55 0.390 -17.050 -11.481 1.00 65.04 H new TER 851 ASP A 55