USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 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 18 ASN : amide:sc= -1.57 K(o=-1.5,f=-4.9!) USER MOD Set 1.2: A 24 THR OG1 : rot -170:sc= 0.109 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 118:sc= 0.117 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 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.734 K(o=-0.73,f=-1.4!) USER MOD Single : A 15 LYS NZ :NH3+ -112:sc= 0.0579 (180deg=-3.26!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= -0.0348 (180deg=-0.506) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.113 X(o=-0.11,f=-0.0041) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 ASN : amide:sc= -1.92 K(o=-1.9,f=-7.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 60:sc= -0.494 USER MOD Single : A 47 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= -0.0526 X(o=-0.053,f=-0.19) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.901 -0.613 -2.180 1.00 51.43 N ATOM 12 CA LYS A 2 6.252 -0.230 -1.787 1.00 13.12 C ATOM 13 C LYS A 2 6.475 -0.477 -0.298 1.00 43.42 C ATOM 14 O LYS A 2 5.920 0.225 0.547 1.00 10.34 O ATOM 15 CB LYS A 2 6.502 1.244 -2.114 1.00 10.04 C ATOM 16 CG LYS A 2 7.414 1.456 -3.310 1.00 21.54 C ATOM 17 CD LYS A 2 8.868 1.580 -2.887 1.00 2.13 C ATOM 18 CE LYS A 2 9.182 2.978 -2.376 1.00 23.23 C ATOM 19 NZ LYS A 2 9.691 3.863 -3.459 1.00 44.24 N ATOM 0 HA LYS A 2 6.956 -0.844 -2.349 1.00 13.12 H new ATOM 0 HB2 LYS A 2 5.546 1.732 -2.306 1.00 10.04 H new ATOM 0 HB3 LYS A 2 6.940 1.731 -1.243 1.00 10.04 H new ATOM 0 HG2 LYS A 2 7.306 0.622 -4.004 1.00 21.54 H new ATOM 0 HG3 LYS A 2 7.111 2.357 -3.844 1.00 21.54 H new ATOM 0 HD2 LYS A 2 9.085 0.849 -2.108 1.00 2.13 H new ATOM 0 HD3 LYS A 2 9.515 1.346 -3.732 1.00 2.13 H new ATOM 0 HE2 LYS A 2 8.284 3.416 -1.941 1.00 23.23 H new ATOM 0 HE3 LYS A 2 9.924 2.915 -1.580 1.00 23.23 H new ATOM 0 HZ1 LYS A 2 9.893 4.806 -3.070 1.00 44.24 H new ATOM 0 HZ2 LYS A 2 10.563 3.458 -3.857 1.00 44.24 H new ATOM 0 HZ3 LYS A 2 8.973 3.944 -4.207 1.00 44.24 H new ATOM 33 N TYR A 3 7.292 -1.476 0.015 1.00 61.11 N ATOM 34 CA TYR A 3 7.588 -1.815 1.402 1.00 62.43 C ATOM 35 C TYR A 3 8.889 -1.161 1.857 1.00 12.20 C ATOM 36 O TYR A 3 9.781 -0.895 1.050 1.00 15.23 O ATOM 37 CB TYR A 3 7.682 -3.333 1.568 1.00 24.05 C ATOM 38 CG TYR A 3 6.433 -4.068 1.138 1.00 22.21 C ATOM 39 CD1 TYR A 3 6.385 -4.744 -0.075 1.00 55.11 C ATOM 40 CD2 TYR A 3 5.302 -4.086 1.944 1.00 75.42 C ATOM 41 CE1 TYR A 3 5.245 -5.416 -0.473 1.00 22.51 C ATOM 42 CE2 TYR A 3 4.158 -4.758 1.555 1.00 45.51 C ATOM 43 CZ TYR A 3 4.135 -5.421 0.346 1.00 41.23 C ATOM 44 OH TYR A 3 2.998 -6.089 -0.046 1.00 71.30 O ATOM 0 H TYR A 3 7.761 -2.065 -0.673 1.00 61.11 H new ATOM 0 HA TYR A 3 6.776 -1.437 2.023 1.00 62.43 H new ATOM 0 HB2 TYR A 3 8.528 -3.702 0.988 1.00 24.05 H new ATOM 0 HB3 TYR A 3 7.887 -3.564 2.613 1.00 24.05 H new ATOM 0 HD1 TYR A 3 7.253 -4.744 -0.717 1.00 55.11 H new ATOM 0 HD2 TYR A 3 5.316 -3.566 2.891 1.00 75.42 H new ATOM 0 HE1 TYR A 3 5.223 -5.934 -1.420 1.00 22.51 H new ATOM 0 HE2 TYR A 3 3.288 -4.764 2.194 1.00 45.51 H new ATOM 0 HH TYR A 3 2.808 -6.811 0.589 1.00 71.30 H new ATOM 54 N THR A 4 8.991 -0.903 3.157 1.00 33.54 N ATOM 55 CA THR A 4 10.181 -0.280 3.722 1.00 14.22 C ATOM 56 C THR A 4 10.956 -1.262 4.592 1.00 21.42 C ATOM 57 O THR A 4 10.381 -1.943 5.441 1.00 44.40 O ATOM 58 CB THR A 4 9.820 0.959 4.563 1.00 0.24 C ATOM 59 OG1 THR A 4 8.596 1.533 4.091 1.00 31.31 O ATOM 60 CG2 THR A 4 10.930 1.998 4.501 1.00 71.44 C ATOM 0 H THR A 4 8.263 -1.116 3.839 1.00 33.54 H new ATOM 0 HA THR A 4 10.805 0.028 2.883 1.00 14.22 H new ATOM 0 HB THR A 4 9.697 0.643 5.599 1.00 0.24 H new ATOM 0 HG1 THR A 4 8.373 2.319 4.632 1.00 31.31 H new ATOM 0 HG21 THR A 4 10.652 2.864 5.102 1.00 71.44 H new ATOM 0 HG22 THR A 4 11.853 1.568 4.889 1.00 71.44 H new ATOM 0 HG23 THR A 4 11.081 2.308 3.467 1.00 71.44 H new ATOM 68 N GLY A 5 12.266 -1.331 4.376 1.00 62.44 N ATOM 69 CA GLY A 5 13.099 -2.234 5.149 1.00 43.13 C ATOM 70 C GLY A 5 14.559 -1.824 5.142 1.00 32.34 C ATOM 71 O GLY A 5 14.888 -0.674 4.851 1.00 33.21 O ATOM 0 H GLY A 5 12.765 -0.778 3.680 1.00 62.44 H new ATOM 0 HA2 GLY A 5 12.738 -2.266 6.177 1.00 43.13 H new ATOM 0 HA3 GLY A 5 13.006 -3.243 4.747 1.00 43.13 H new ATOM 75 N LYS A 6 15.437 -2.767 5.466 1.00 5.11 N ATOM 76 CA LYS A 6 16.870 -2.499 5.497 1.00 25.45 C ATOM 77 C LYS A 6 17.659 -3.700 4.984 1.00 4.32 C ATOM 78 O LYS A 6 17.200 -4.839 5.068 1.00 70.24 O ATOM 79 CB LYS A 6 17.315 -2.154 6.921 1.00 72.43 C ATOM 80 CG LYS A 6 16.353 -1.234 7.652 1.00 40.22 C ATOM 81 CD LYS A 6 15.300 -2.020 8.415 1.00 4.24 C ATOM 82 CE LYS A 6 14.684 -1.189 9.530 1.00 3.25 C ATOM 83 NZ LYS A 6 14.128 -2.043 10.616 1.00 54.10 N ATOM 0 H LYS A 6 15.181 -3.724 5.711 1.00 5.11 H new ATOM 0 HA LYS A 6 17.070 -1.649 4.844 1.00 25.45 H new ATOM 0 HB2 LYS A 6 17.427 -3.076 7.491 1.00 72.43 H new ATOM 0 HB3 LYS A 6 18.297 -1.682 6.882 1.00 72.43 H new ATOM 0 HG2 LYS A 6 16.908 -0.601 8.344 1.00 40.22 H new ATOM 0 HG3 LYS A 6 15.866 -0.572 6.936 1.00 40.22 H new ATOM 0 HD2 LYS A 6 14.519 -2.346 7.728 1.00 4.24 H new ATOM 0 HD3 LYS A 6 15.750 -2.919 8.836 1.00 4.24 H new ATOM 0 HE2 LYS A 6 15.439 -0.521 9.944 1.00 3.25 H new ATOM 0 HE3 LYS A 6 13.893 -0.561 9.120 1.00 3.25 H new ATOM 0 HZ1 LYS A 6 13.717 -1.439 11.357 1.00 54.10 H new ATOM 0 HZ2 LYS A 6 13.390 -2.663 10.226 1.00 54.10 H new ATOM 0 HZ3 LYS A 6 14.888 -2.624 11.025 1.00 54.10 H new ATOM 97 N CYS A 7 18.849 -3.437 4.455 1.00 65.24 N ATOM 98 CA CYS A 7 19.703 -4.495 3.929 1.00 63.53 C ATOM 99 C CYS A 7 20.795 -4.862 4.930 1.00 11.31 C ATOM 100 O CYS A 7 20.766 -4.430 6.083 1.00 20.53 O ATOM 101 CB CYS A 7 20.335 -4.059 2.605 1.00 23.34 C ATOM 102 SG CYS A 7 20.044 -5.213 1.226 1.00 22.43 S ATOM 0 H CYS A 7 19.244 -2.500 4.379 1.00 65.24 H new ATOM 0 HA CYS A 7 19.083 -5.375 3.756 1.00 63.53 H new ATOM 0 HB2 CYS A 7 19.943 -3.079 2.333 1.00 23.34 H new ATOM 0 HB3 CYS A 7 21.409 -3.944 2.748 1.00 23.34 H new ATOM 107 N THR A 8 21.758 -5.661 4.481 1.00 2.44 N ATOM 108 CA THR A 8 22.859 -6.086 5.337 1.00 72.02 C ATOM 109 C THR A 8 24.167 -6.153 4.557 1.00 0.53 C ATOM 110 O THR A 8 24.318 -6.965 3.644 1.00 15.14 O ATOM 111 CB THR A 8 22.580 -7.463 5.968 1.00 72.20 C ATOM 112 OG1 THR A 8 21.376 -8.016 5.425 1.00 71.33 O ATOM 113 CG2 THR A 8 22.455 -7.350 7.480 1.00 71.21 C ATOM 0 H THR A 8 21.798 -6.027 3.530 1.00 2.44 H new ATOM 0 HA THR A 8 22.949 -5.343 6.129 1.00 72.02 H new ATOM 0 HB THR A 8 23.418 -8.121 5.737 1.00 72.20 H new ATOM 0 HG1 THR A 8 21.207 -8.892 5.830 1.00 71.33 H new ATOM 0 HG21 THR A 8 22.258 -8.335 7.903 1.00 71.21 H new ATOM 0 HG22 THR A 8 23.384 -6.956 7.893 1.00 71.21 H new ATOM 0 HG23 THR A 8 21.634 -6.678 7.728 1.00 71.21 H new ATOM 121 N LYS A 9 25.112 -5.294 4.923 1.00 45.51 N ATOM 122 CA LYS A 9 26.410 -5.255 4.259 1.00 23.44 C ATOM 123 C LYS A 9 27.117 -6.602 4.369 1.00 24.45 C ATOM 124 O LYS A 9 28.042 -6.892 3.611 1.00 62.55 O ATOM 125 CB LYS A 9 27.285 -4.157 4.868 1.00 41.00 C ATOM 126 CG LYS A 9 27.836 -4.508 6.239 1.00 23.10 C ATOM 127 CD LYS A 9 29.274 -4.992 6.155 1.00 62.33 C ATOM 128 CE LYS A 9 30.049 -4.662 7.421 1.00 34.24 C ATOM 129 NZ LYS A 9 31.440 -4.222 7.122 1.00 35.24 N ATOM 0 H LYS A 9 25.003 -4.615 5.676 1.00 45.51 H new ATOM 0 HA LYS A 9 26.244 -5.036 3.204 1.00 23.44 H new ATOM 0 HB2 LYS A 9 28.116 -3.951 4.194 1.00 41.00 H new ATOM 0 HB3 LYS A 9 26.701 -3.240 4.944 1.00 41.00 H new ATOM 0 HG2 LYS A 9 27.783 -3.634 6.888 1.00 23.10 H new ATOM 0 HG3 LYS A 9 27.217 -5.281 6.694 1.00 23.10 H new ATOM 0 HD2 LYS A 9 29.287 -6.069 5.990 1.00 62.33 H new ATOM 0 HD3 LYS A 9 29.764 -4.532 5.297 1.00 62.33 H new ATOM 0 HE2 LYS A 9 29.530 -3.876 7.970 1.00 34.24 H new ATOM 0 HE3 LYS A 9 30.077 -5.538 8.068 1.00 34.24 H new ATOM 0 HZ1 LYS A 9 31.935 -4.007 8.011 1.00 35.24 H new ATOM 0 HZ2 LYS A 9 31.944 -4.981 6.621 1.00 35.24 H new ATOM 0 HZ3 LYS A 9 31.414 -3.371 6.525 1.00 35.24 H new ATOM 143 N SER A 10 26.675 -7.422 5.318 1.00 65.00 N ATOM 144 CA SER A 10 27.268 -8.738 5.528 1.00 11.33 C ATOM 145 C SER A 10 27.371 -9.504 4.213 1.00 41.31 C ATOM 146 O SER A 10 28.467 -9.754 3.711 1.00 71.24 O ATOM 147 CB SER A 10 26.439 -9.539 6.534 1.00 0.33 C ATOM 148 OG SER A 10 27.054 -10.781 6.827 1.00 22.25 O ATOM 0 H SER A 10 25.909 -7.198 5.953 1.00 65.00 H new ATOM 0 HA SER A 10 28.273 -8.597 5.926 1.00 11.33 H new ATOM 0 HB2 SER A 10 26.320 -8.963 7.452 1.00 0.33 H new ATOM 0 HB3 SER A 10 25.440 -9.710 6.133 1.00 0.33 H new ATOM 0 HG SER A 10 26.506 -11.273 7.473 1.00 22.25 H new ATOM 154 N LYS A 11 26.221 -9.873 3.659 1.00 22.53 N ATOM 155 CA LYS A 11 26.179 -10.610 2.402 1.00 51.15 C ATOM 156 C LYS A 11 25.009 -10.148 1.539 1.00 14.44 C ATOM 157 O LYS A 11 24.534 -10.883 0.675 1.00 33.34 O ATOM 158 CB LYS A 11 26.066 -12.112 2.670 1.00 21.31 C ATOM 159 CG LYS A 11 24.809 -12.502 3.428 1.00 73.14 C ATOM 160 CD LYS A 11 24.397 -13.933 3.126 1.00 73.14 C ATOM 161 CE LYS A 11 23.335 -13.990 2.038 1.00 42.23 C ATOM 162 NZ LYS A 11 23.865 -14.577 0.776 1.00 32.30 N ATOM 0 H LYS A 11 25.305 -9.673 4.061 1.00 22.53 H new ATOM 0 HA LYS A 11 27.106 -10.412 1.864 1.00 51.15 H new ATOM 0 HB2 LYS A 11 26.087 -12.645 1.719 1.00 21.31 H new ATOM 0 HB3 LYS A 11 26.938 -12.438 3.237 1.00 21.31 H new ATOM 0 HG2 LYS A 11 24.979 -12.390 4.499 1.00 73.14 H new ATOM 0 HG3 LYS A 11 23.998 -11.825 3.161 1.00 73.14 H new ATOM 0 HD2 LYS A 11 25.270 -14.506 2.814 1.00 73.14 H new ATOM 0 HD3 LYS A 11 24.016 -14.402 4.033 1.00 73.14 H new ATOM 0 HE2 LYS A 11 22.489 -14.582 2.387 1.00 42.23 H new ATOM 0 HE3 LYS A 11 22.961 -12.985 1.842 1.00 42.23 H new ATOM 0 HZ1 LYS A 11 23.111 -14.598 0.060 1.00 32.30 H new ATOM 0 HZ2 LYS A 11 24.656 -13.998 0.429 1.00 32.30 H new ATOM 0 HZ3 LYS A 11 24.198 -15.545 0.957 1.00 32.30 H new ATOM 176 N ASN A 12 24.550 -8.924 1.780 1.00 54.32 N ATOM 177 CA ASN A 12 23.435 -8.363 1.024 1.00 22.21 C ATOM 178 C ASN A 12 22.147 -9.132 1.303 1.00 24.30 C ATOM 179 O ASN A 12 22.067 -10.336 1.060 1.00 3.13 O ATOM 180 CB ASN A 12 23.744 -8.389 -0.474 1.00 74.12 C ATOM 181 CG ASN A 12 22.587 -8.929 -1.293 1.00 63.23 C ATOM 182 OD1 ASN A 12 22.433 -10.141 -1.447 1.00 5.01 O ATOM 183 ND2 ASN A 12 21.767 -8.030 -1.824 1.00 43.41 N ATOM 0 H ASN A 12 24.932 -8.302 2.492 1.00 54.32 H new ATOM 0 HA ASN A 12 23.296 -7.330 1.342 1.00 22.21 H new ATOM 0 HB2 ASN A 12 23.984 -7.380 -0.810 1.00 74.12 H new ATOM 0 HB3 ASN A 12 24.628 -9.003 -0.650 1.00 74.12 H new ATOM 0 HD21 ASN A 12 20.971 -8.334 -2.385 1.00 43.41 H new ATOM 0 HD22 ASN A 12 21.932 -7.035 -1.671 1.00 43.41 H new ATOM 190 N GLU A 13 21.142 -8.428 1.814 1.00 44.44 N ATOM 191 CA GLU A 13 19.859 -9.045 2.125 1.00 14.34 C ATOM 192 C GLU A 13 18.886 -8.018 2.698 1.00 52.54 C ATOM 193 O GLU A 13 18.982 -7.637 3.865 1.00 43.03 O ATOM 194 CB GLU A 13 20.047 -10.193 3.119 1.00 64.12 C ATOM 195 CG GLU A 13 19.224 -11.426 2.787 1.00 32.25 C ATOM 196 CD GLU A 13 18.988 -12.312 3.995 1.00 21.23 C ATOM 197 OE1 GLU A 13 19.274 -13.525 3.906 1.00 53.35 O ATOM 198 OE2 GLU A 13 18.518 -11.794 5.029 1.00 2.25 O ATOM 0 H GLU A 13 21.192 -7.431 2.021 1.00 44.44 H new ATOM 0 HA GLU A 13 19.441 -9.440 1.199 1.00 14.34 H new ATOM 0 HB2 GLU A 13 21.101 -10.468 3.149 1.00 64.12 H new ATOM 0 HB3 GLU A 13 19.780 -9.846 4.117 1.00 64.12 H new ATOM 0 HG2 GLU A 13 18.264 -11.117 2.374 1.00 32.25 H new ATOM 0 HG3 GLU A 13 19.733 -12.001 2.013 1.00 32.25 H new ATOM 205 N CYS A 14 17.949 -7.572 1.867 1.00 0.01 N ATOM 206 CA CYS A 14 16.959 -6.588 2.288 1.00 74.43 C ATOM 207 C CYS A 14 15.668 -7.271 2.732 1.00 24.43 C ATOM 208 O CYS A 14 15.026 -7.977 1.954 1.00 21.13 O ATOM 209 CB CYS A 14 16.665 -5.610 1.148 1.00 35.54 C ATOM 210 SG CYS A 14 17.490 -3.996 1.322 1.00 23.05 S ATOM 0 H CYS A 14 17.855 -7.877 0.898 1.00 0.01 H new ATOM 0 HA CYS A 14 17.368 -6.037 3.135 1.00 74.43 H new ATOM 0 HB2 CYS A 14 16.973 -6.064 0.206 1.00 35.54 H new ATOM 0 HB3 CYS A 14 15.588 -5.451 1.088 1.00 35.54 H new ATOM 215 N LYS A 15 15.294 -7.056 3.989 1.00 25.30 N ATOM 216 CA LYS A 15 14.081 -7.649 4.539 1.00 52.43 C ATOM 217 C LYS A 15 12.896 -6.700 4.387 1.00 74.42 C ATOM 218 O LYS A 15 13.070 -5.486 4.279 1.00 35.31 O ATOM 219 CB LYS A 15 14.282 -7.998 6.015 1.00 4.40 C ATOM 220 CG LYS A 15 13.111 -8.745 6.629 1.00 40.51 C ATOM 221 CD LYS A 15 12.171 -7.802 7.362 1.00 62.01 C ATOM 222 CE LYS A 15 12.713 -7.429 8.733 1.00 23.22 C ATOM 223 NZ LYS A 15 11.621 -7.215 9.722 1.00 13.01 N ATOM 0 H LYS A 15 15.814 -6.475 4.646 1.00 25.30 H new ATOM 0 HA LYS A 15 13.868 -8.562 3.983 1.00 52.43 H new ATOM 0 HB2 LYS A 15 15.182 -8.604 6.117 1.00 4.40 H new ATOM 0 HB3 LYS A 15 14.451 -7.079 6.577 1.00 4.40 H new ATOM 0 HG2 LYS A 15 12.563 -9.271 5.847 1.00 40.51 H new ATOM 0 HG3 LYS A 15 13.483 -9.501 7.321 1.00 40.51 H new ATOM 0 HD2 LYS A 15 12.025 -6.899 6.769 1.00 62.01 H new ATOM 0 HD3 LYS A 15 11.194 -8.273 7.472 1.00 62.01 H new ATOM 0 HE2 LYS A 15 13.375 -8.218 9.089 1.00 23.22 H new ATOM 0 HE3 LYS A 15 13.312 -6.522 8.652 1.00 23.22 H new ATOM 0 HZ1 LYS A 15 11.583 -6.210 9.985 1.00 13.01 H new ATOM 0 HZ2 LYS A 15 10.712 -7.498 9.303 1.00 13.01 H new ATOM 0 HZ3 LYS A 15 11.804 -7.788 10.570 1.00 13.01 H new ATOM 237 N TYR A 16 11.692 -7.262 4.380 1.00 11.15 N ATOM 238 CA TYR A 16 10.478 -6.466 4.241 1.00 21.20 C ATOM 239 C TYR A 16 9.243 -7.290 4.593 1.00 61.13 C ATOM 240 O TYR A 16 9.350 -8.402 5.110 1.00 62.32 O ATOM 241 CB TYR A 16 10.357 -5.929 2.814 1.00 12.52 C ATOM 242 CG TYR A 16 9.941 -6.976 1.806 1.00 52.42 C ATOM 243 CD1 TYR A 16 10.782 -8.035 1.488 1.00 31.02 C ATOM 244 CD2 TYR A 16 8.707 -6.905 1.170 1.00 25.21 C ATOM 245 CE1 TYR A 16 10.407 -8.994 0.567 1.00 14.30 C ATOM 246 CE2 TYR A 16 8.323 -7.860 0.249 1.00 62.11 C ATOM 247 CZ TYR A 16 9.176 -8.902 -0.049 1.00 61.25 C ATOM 248 OH TYR A 16 8.798 -9.855 -0.968 1.00 14.33 O ATOM 0 H TYR A 16 11.531 -8.265 4.469 1.00 11.15 H new ATOM 0 HA TYR A 16 10.542 -5.627 4.934 1.00 21.20 H new ATOM 0 HB2 TYR A 16 9.631 -5.116 2.801 1.00 12.52 H new ATOM 0 HB3 TYR A 16 11.315 -5.506 2.512 1.00 12.52 H new ATOM 0 HD1 TYR A 16 11.746 -8.110 1.969 1.00 31.02 H new ATOM 0 HD2 TYR A 16 8.037 -6.089 1.400 1.00 25.21 H new ATOM 0 HE1 TYR A 16 11.073 -9.811 0.331 1.00 14.30 H new ATOM 0 HE2 TYR A 16 7.360 -7.791 -0.235 1.00 62.11 H new ATOM 0 HH TYR A 16 7.903 -9.645 -1.308 1.00 14.33 H new ATOM 258 N LYS A 17 8.070 -6.736 4.308 1.00 54.03 N ATOM 259 CA LYS A 17 6.812 -7.418 4.591 1.00 41.42 C ATOM 260 C LYS A 17 6.044 -7.699 3.303 1.00 30.14 C ATOM 261 O LYS A 17 6.074 -6.904 2.365 1.00 2.23 O ATOM 262 CB LYS A 17 5.953 -6.575 5.536 1.00 51.10 C ATOM 263 CG LYS A 17 5.765 -5.141 5.071 1.00 31.14 C ATOM 264 CD LYS A 17 6.260 -4.149 6.110 1.00 0.22 C ATOM 265 CE LYS A 17 5.612 -2.784 5.931 1.00 31.52 C ATOM 266 NZ LYS A 17 6.626 -1.699 5.820 1.00 34.22 N ATOM 0 H LYS A 17 7.964 -5.816 3.881 1.00 54.03 H new ATOM 0 HA LYS A 17 7.043 -8.369 5.071 1.00 41.42 H new ATOM 0 HB2 LYS A 17 4.975 -7.045 5.641 1.00 51.10 H new ATOM 0 HB3 LYS A 17 6.413 -6.570 6.524 1.00 51.10 H new ATOM 0 HG2 LYS A 17 6.302 -4.988 4.135 1.00 31.14 H new ATOM 0 HG3 LYS A 17 4.710 -4.959 4.866 1.00 31.14 H new ATOM 0 HD2 LYS A 17 6.043 -4.528 7.109 1.00 0.22 H new ATOM 0 HD3 LYS A 17 7.343 -4.052 6.035 1.00 0.22 H new ATOM 0 HE2 LYS A 17 4.989 -2.792 5.036 1.00 31.52 H new ATOM 0 HE3 LYS A 17 4.954 -2.581 6.776 1.00 31.52 H new ATOM 0 HZ1 LYS A 17 6.244 -0.925 5.239 1.00 34.22 H new ATOM 0 HZ2 LYS A 17 6.855 -1.340 6.769 1.00 34.22 H new ATOM 0 HZ3 LYS A 17 7.488 -2.074 5.374 1.00 34.22 H new ATOM 280 N ASN A 18 5.355 -8.835 3.267 1.00 62.21 N ATOM 281 CA ASN A 18 4.578 -9.221 2.094 1.00 1.54 C ATOM 282 C ASN A 18 3.091 -9.292 2.427 1.00 52.10 C ATOM 283 O ASN A 18 2.302 -8.462 1.973 1.00 24.24 O ATOM 284 CB ASN A 18 5.058 -10.572 1.560 1.00 1.52 C ATOM 285 CG ASN A 18 5.553 -11.487 2.664 1.00 54.15 C ATOM 286 OD1 ASN A 18 4.825 -12.364 3.131 1.00 43.44 O ATOM 287 ND2 ASN A 18 6.796 -11.286 3.086 1.00 75.42 N ATOM 0 H ASN A 18 5.319 -9.504 4.036 1.00 62.21 H new ATOM 0 HA ASN A 18 4.725 -8.462 1.326 1.00 1.54 H new ATOM 0 HB2 ASN A 18 4.242 -11.059 1.026 1.00 1.52 H new ATOM 0 HB3 ASN A 18 5.859 -10.411 0.839 1.00 1.52 H new ATOM 0 HD21 ASN A 18 7.184 -11.870 3.826 1.00 75.42 H new ATOM 0 HD22 ASN A 18 7.363 -10.547 2.670 1.00 75.42 H new ATOM 294 N ASP A 19 2.715 -10.288 3.222 1.00 42.32 N ATOM 295 CA ASP A 19 1.323 -10.467 3.617 1.00 30.01 C ATOM 296 C ASP A 19 0.922 -9.444 4.675 1.00 5.23 C ATOM 297 O ASP A 19 0.180 -8.503 4.394 1.00 22.50 O ATOM 298 CB ASP A 19 1.100 -11.883 4.149 1.00 30.52 C ATOM 299 CG ASP A 19 -0.171 -12.001 4.968 1.00 64.12 C ATOM 300 OD1 ASP A 19 -0.130 -12.643 6.038 1.00 22.05 O ATOM 301 OD2 ASP A 19 -1.206 -11.450 4.538 1.00 23.43 O ATOM 0 H ASP A 19 3.355 -10.984 3.605 1.00 42.32 H new ATOM 0 HA ASP A 19 0.699 -10.315 2.736 1.00 30.01 H new ATOM 0 HB2 ASP A 19 1.055 -12.580 3.312 1.00 30.52 H new ATOM 0 HB3 ASP A 19 1.952 -12.176 4.762 1.00 30.52 H new ATOM 306 N ALA A 20 1.418 -9.635 5.893 1.00 4.14 N ATOM 307 CA ALA A 20 1.113 -8.728 6.993 1.00 22.43 C ATOM 308 C ALA A 20 2.293 -8.611 7.952 1.00 45.03 C ATOM 309 O ALA A 20 2.190 -8.963 9.126 1.00 54.21 O ATOM 310 CB ALA A 20 -0.128 -9.200 7.737 1.00 41.23 C ATOM 0 H ALA A 20 2.033 -10.410 6.143 1.00 4.14 H new ATOM 0 HA ALA A 20 0.920 -7.741 6.574 1.00 22.43 H new ATOM 0 HB1 ALA A 20 -0.344 -8.514 8.556 1.00 41.23 H new ATOM 0 HB2 ALA A 20 -0.975 -9.226 7.052 1.00 41.23 H new ATOM 0 HB3 ALA A 20 0.046 -10.199 8.137 1.00 41.23 H new ATOM 316 N GLY A 21 3.417 -8.114 7.442 1.00 33.30 N ATOM 317 CA GLY A 21 4.601 -7.960 8.267 1.00 70.43 C ATOM 318 C GLY A 21 5.528 -9.156 8.179 1.00 60.52 C ATOM 319 O GLY A 21 6.516 -9.241 8.908 1.00 5.41 O ATOM 0 H GLY A 21 3.528 -7.816 6.473 1.00 33.30 H new ATOM 0 HA2 GLY A 21 5.140 -7.063 7.960 1.00 70.43 H new ATOM 0 HA3 GLY A 21 4.301 -7.812 9.304 1.00 70.43 H new ATOM 323 N LYS A 22 5.209 -10.086 7.285 1.00 72.03 N ATOM 324 CA LYS A 22 6.019 -11.284 7.103 1.00 24.44 C ATOM 325 C LYS A 22 7.453 -10.920 6.730 1.00 31.20 C ATOM 326 O LYS A 22 7.743 -10.608 5.575 1.00 2.32 O ATOM 327 CB LYS A 22 5.410 -12.178 6.021 1.00 64.04 C ATOM 328 CG LYS A 22 4.688 -13.395 6.572 1.00 54.12 C ATOM 329 CD LYS A 22 4.919 -14.621 5.705 1.00 24.21 C ATOM 330 CE LYS A 22 3.657 -15.461 5.578 1.00 3.40 C ATOM 331 NZ LYS A 22 3.927 -16.773 4.928 1.00 22.14 N ATOM 0 H LYS A 22 4.394 -10.032 6.674 1.00 72.03 H new ATOM 0 HA LYS A 22 6.035 -11.828 8.047 1.00 24.44 H new ATOM 0 HB2 LYS A 22 4.711 -11.590 5.427 1.00 64.04 H new ATOM 0 HB3 LYS A 22 6.201 -12.509 5.348 1.00 64.04 H new ATOM 0 HG2 LYS A 22 5.033 -13.595 7.586 1.00 54.12 H new ATOM 0 HG3 LYS A 22 3.620 -13.188 6.634 1.00 54.12 H new ATOM 0 HD2 LYS A 22 5.251 -14.310 4.715 1.00 24.21 H new ATOM 0 HD3 LYS A 22 5.718 -15.226 6.134 1.00 24.21 H new ATOM 0 HE2 LYS A 22 3.230 -15.627 6.567 1.00 3.40 H new ATOM 0 HE3 LYS A 22 2.914 -14.914 4.998 1.00 3.40 H new ATOM 0 HZ1 LYS A 22 3.042 -17.315 4.860 1.00 22.14 H new ATOM 0 HZ2 LYS A 22 4.311 -16.615 3.974 1.00 22.14 H new ATOM 0 HZ3 LYS A 22 4.617 -17.306 5.495 1.00 22.14 H new ATOM 345 N ASP A 23 8.345 -10.964 7.713 1.00 32.25 N ATOM 346 CA ASP A 23 9.749 -10.641 7.487 1.00 32.43 C ATOM 347 C ASP A 23 10.373 -11.606 6.484 1.00 4.01 C ATOM 348 O ASP A 23 10.836 -12.687 6.850 1.00 2.13 O ATOM 349 CB ASP A 23 10.523 -10.685 8.806 1.00 60.03 C ATOM 350 CG ASP A 23 9.902 -9.804 9.871 1.00 11.53 C ATOM 351 OD1 ASP A 23 9.188 -8.845 9.507 1.00 21.32 O ATOM 352 OD2 ASP A 23 10.129 -10.072 11.069 1.00 31.33 O ATOM 0 H ASP A 23 8.121 -11.220 8.675 1.00 32.25 H new ATOM 0 HA ASP A 23 9.804 -9.633 7.076 1.00 32.43 H new ATOM 0 HB2 ASP A 23 10.563 -11.713 9.167 1.00 60.03 H new ATOM 0 HB3 ASP A 23 11.551 -10.369 8.631 1.00 60.03 H new ATOM 357 N THR A 24 10.383 -11.209 5.215 1.00 14.34 N ATOM 358 CA THR A 24 10.948 -12.038 4.159 1.00 72.22 C ATOM 359 C THR A 24 12.158 -11.366 3.520 1.00 73.01 C ATOM 360 O THR A 24 12.047 -10.284 2.943 1.00 73.23 O ATOM 361 CB THR A 24 9.906 -12.342 3.065 1.00 4.31 C ATOM 362 OG1 THR A 24 8.808 -13.072 3.623 1.00 3.33 O ATOM 363 CG2 THR A 24 10.530 -13.142 1.931 1.00 12.24 C ATOM 0 H THR A 24 10.006 -10.317 4.894 1.00 14.34 H new ATOM 0 HA THR A 24 11.259 -12.973 4.624 1.00 72.22 H new ATOM 0 HB THR A 24 9.545 -11.395 2.665 1.00 4.31 H new ATOM 0 HG1 THR A 24 8.231 -13.397 2.901 1.00 3.33 H new ATOM 0 HG21 THR A 24 9.776 -13.345 1.171 1.00 12.24 H new ATOM 0 HG22 THR A 24 11.346 -12.571 1.489 1.00 12.24 H new ATOM 0 HG23 THR A 24 10.916 -14.084 2.320 1.00 12.24 H new ATOM 371 N PHE A 25 13.313 -12.014 3.626 1.00 2.31 N ATOM 372 CA PHE A 25 14.545 -11.478 3.058 1.00 11.25 C ATOM 373 C PHE A 25 14.553 -11.625 1.540 1.00 71.03 C ATOM 374 O PHE A 25 14.362 -12.721 1.011 1.00 41.42 O ATOM 375 CB PHE A 25 15.760 -12.190 3.658 1.00 54.24 C ATOM 376 CG PHE A 25 15.632 -12.456 5.130 1.00 21.42 C ATOM 377 CD1 PHE A 25 15.990 -13.686 5.659 1.00 64.14 C ATOM 378 CD2 PHE A 25 15.153 -11.478 5.986 1.00 43.50 C ATOM 379 CE1 PHE A 25 15.875 -13.935 7.013 1.00 14.34 C ATOM 380 CE2 PHE A 25 15.036 -11.720 7.341 1.00 32.25 C ATOM 381 CZ PHE A 25 15.396 -12.951 7.856 1.00 53.44 C ATOM 0 H PHE A 25 13.422 -12.911 4.100 1.00 2.31 H new ATOM 0 HA PHE A 25 14.597 -10.417 3.302 1.00 11.25 H new ATOM 0 HB2 PHE A 25 15.910 -13.136 3.138 1.00 54.24 H new ATOM 0 HB3 PHE A 25 16.649 -11.585 3.482 1.00 54.24 H new ATOM 0 HD1 PHE A 25 16.364 -14.460 5.004 1.00 64.14 H new ATOM 0 HD2 PHE A 25 14.868 -10.515 5.589 1.00 43.50 H new ATOM 0 HE1 PHE A 25 16.159 -14.898 7.412 1.00 14.34 H new ATOM 0 HE2 PHE A 25 14.663 -10.948 7.998 1.00 32.25 H new ATOM 0 HZ PHE A 25 15.303 -13.143 8.915 1.00 53.44 H new ATOM 391 N ILE A 26 14.774 -10.514 0.845 1.00 64.31 N ATOM 392 CA ILE A 26 14.808 -10.519 -0.612 1.00 72.43 C ATOM 393 C ILE A 26 16.030 -9.774 -1.137 1.00 1.52 C ATOM 394 O ILE A 26 16.219 -8.591 -0.852 1.00 51.55 O ATOM 395 CB ILE A 26 13.538 -9.883 -1.207 1.00 13.53 C ATOM 396 CG1 ILE A 26 13.634 -9.829 -2.733 1.00 20.02 C ATOM 397 CG2 ILE A 26 13.327 -8.489 -0.635 1.00 14.33 C ATOM 398 CD1 ILE A 26 13.830 -11.185 -3.374 1.00 22.12 C ATOM 0 H ILE A 26 14.932 -9.599 1.268 1.00 64.31 H new ATOM 0 HA ILE A 26 14.862 -11.563 -0.922 1.00 72.43 H new ATOM 0 HB ILE A 26 12.680 -10.500 -0.938 1.00 13.53 H new ATOM 0 HG12 ILE A 26 12.726 -9.376 -3.130 1.00 20.02 H new ATOM 0 HG13 ILE A 26 14.463 -9.180 -3.014 1.00 20.02 H new ATOM 0 HG21 ILE A 26 12.426 -8.052 -1.065 1.00 14.33 H new ATOM 0 HG22 ILE A 26 13.219 -8.553 0.448 1.00 14.33 H new ATOM 0 HG23 ILE A 26 14.185 -7.862 -0.878 1.00 14.33 H new ATOM 0 HD11 ILE A 26 13.889 -11.071 -4.456 1.00 22.12 H new ATOM 0 HD12 ILE A 26 14.753 -11.632 -3.005 1.00 22.12 H new ATOM 0 HD13 ILE A 26 12.989 -11.831 -3.123 1.00 22.12 H new ATOM 410 N LYS A 27 16.858 -10.473 -1.906 1.00 12.50 N ATOM 411 CA LYS A 27 18.061 -9.877 -2.474 1.00 64.22 C ATOM 412 C LYS A 27 17.720 -8.636 -3.293 1.00 3.05 C ATOM 413 O LYS A 27 16.550 -8.285 -3.448 1.00 44.41 O ATOM 414 CB LYS A 27 18.793 -10.895 -3.352 1.00 52.05 C ATOM 415 CG LYS A 27 17.930 -11.473 -4.461 1.00 1.10 C ATOM 416 CD LYS A 27 18.537 -12.742 -5.036 1.00 10.14 C ATOM 417 CE LYS A 27 18.680 -12.656 -6.547 1.00 71.35 C ATOM 418 NZ LYS A 27 18.704 -14.004 -7.180 1.00 23.55 N ATOM 0 H LYS A 27 16.718 -11.453 -2.150 1.00 12.50 H new ATOM 0 HA LYS A 27 18.712 -9.580 -1.652 1.00 64.22 H new ATOM 0 HB2 LYS A 27 19.668 -10.418 -3.795 1.00 52.05 H new ATOM 0 HB3 LYS A 27 19.157 -11.709 -2.724 1.00 52.05 H new ATOM 0 HG2 LYS A 27 16.934 -11.688 -4.074 1.00 1.10 H new ATOM 0 HG3 LYS A 27 17.811 -10.734 -5.253 1.00 1.10 H new ATOM 0 HD2 LYS A 27 19.515 -12.915 -4.586 1.00 10.14 H new ATOM 0 HD3 LYS A 27 17.911 -13.596 -4.777 1.00 10.14 H new ATOM 0 HE2 LYS A 27 17.853 -12.077 -6.958 1.00 71.35 H new ATOM 0 HE3 LYS A 27 19.597 -12.122 -6.795 1.00 71.35 H new ATOM 0 HZ1 LYS A 27 18.803 -13.902 -8.210 1.00 23.55 H new ATOM 0 HZ2 LYS A 27 19.508 -14.548 -6.807 1.00 23.55 H new ATOM 0 HZ3 LYS A 27 17.818 -14.504 -6.965 1.00 23.55 H new ATOM 432 N CYS A 28 18.749 -7.976 -3.815 1.00 33.30 N ATOM 433 CA CYS A 28 18.558 -6.775 -4.618 1.00 45.25 C ATOM 434 C CYS A 28 18.896 -7.041 -6.083 1.00 1.43 C ATOM 435 O CYS A 28 19.994 -6.745 -6.556 1.00 74.21 O ATOM 436 CB CYS A 28 19.426 -5.635 -4.082 1.00 45.34 C ATOM 437 SG CYS A 28 19.584 -5.610 -2.268 1.00 14.14 S ATOM 0 H CYS A 28 19.723 -8.253 -3.696 1.00 33.30 H new ATOM 0 HA CYS A 28 17.509 -6.486 -4.552 1.00 45.25 H new ATOM 0 HB2 CYS A 28 20.420 -5.712 -4.521 1.00 45.34 H new ATOM 0 HB3 CYS A 28 19.005 -4.686 -4.412 1.00 45.34 H new ATOM 442 N PRO A 29 17.931 -7.612 -6.818 1.00 53.32 N ATOM 443 CA PRO A 29 18.101 -7.929 -8.239 1.00 63.31 C ATOM 444 C PRO A 29 18.160 -6.679 -9.110 1.00 2.34 C ATOM 445 O PRO A 29 18.625 -6.724 -10.249 1.00 13.21 O ATOM 446 CB PRO A 29 16.855 -8.753 -8.571 1.00 35.25 C ATOM 447 CG PRO A 29 15.836 -8.317 -7.574 1.00 64.22 C ATOM 448 CD PRO A 29 16.598 -7.991 -6.319 1.00 41.14 C ATOM 0 HA PRO A 29 19.038 -8.452 -8.429 1.00 63.31 H new ATOM 0 HB2 PRO A 29 16.517 -8.566 -9.590 1.00 35.25 H new ATOM 0 HB3 PRO A 29 17.054 -9.822 -8.492 1.00 35.25 H new ATOM 0 HG2 PRO A 29 15.285 -7.448 -7.933 1.00 64.22 H new ATOM 0 HG3 PRO A 29 15.105 -9.105 -7.393 1.00 64.22 H new ATOM 0 HD2 PRO A 29 16.130 -7.177 -5.765 1.00 41.14 H new ATOM 0 HD3 PRO A 29 16.649 -8.847 -5.646 1.00 41.14 H new ATOM 456 N LYS A 30 17.687 -5.562 -8.566 1.00 71.41 N ATOM 457 CA LYS A 30 17.687 -4.298 -9.292 1.00 0.21 C ATOM 458 C LYS A 30 19.107 -3.885 -9.665 1.00 2.40 C ATOM 459 O LYS A 30 19.449 -3.796 -10.844 1.00 51.15 O ATOM 460 CB LYS A 30 17.031 -3.202 -8.449 1.00 34.22 C ATOM 461 CG LYS A 30 15.831 -2.555 -9.119 1.00 44.14 C ATOM 462 CD LYS A 30 15.316 -1.371 -8.318 1.00 72.41 C ATOM 463 CE LYS A 30 14.428 -0.471 -9.163 1.00 10.51 C ATOM 464 NZ LYS A 30 15.115 0.799 -9.530 1.00 60.42 N ATOM 0 H LYS A 30 17.299 -5.507 -7.624 1.00 71.41 H new ATOM 0 HA LYS A 30 17.114 -4.435 -10.209 1.00 0.21 H new ATOM 0 HB2 LYS A 30 16.719 -3.627 -7.495 1.00 34.22 H new ATOM 0 HB3 LYS A 30 17.771 -2.433 -8.228 1.00 34.22 H new ATOM 0 HG2 LYS A 30 16.106 -2.225 -10.121 1.00 44.14 H new ATOM 0 HG3 LYS A 30 15.036 -3.292 -9.233 1.00 44.14 H new ATOM 0 HD2 LYS A 30 14.756 -1.730 -7.455 1.00 72.41 H new ATOM 0 HD3 LYS A 30 16.159 -0.796 -7.934 1.00 72.41 H new ATOM 0 HE2 LYS A 30 14.133 -0.999 -10.070 1.00 10.51 H new ATOM 0 HE3 LYS A 30 13.514 -0.244 -8.614 1.00 10.51 H new ATOM 0 HZ1 LYS A 30 14.477 1.385 -10.106 1.00 60.42 H new ATOM 0 HZ2 LYS A 30 15.374 1.316 -8.666 1.00 60.42 H new ATOM 0 HZ3 LYS A 30 15.974 0.584 -10.075 1.00 60.42 H new ATOM 478 N PHE A 31 19.931 -3.634 -8.653 1.00 30.43 N ATOM 479 CA PHE A 31 21.315 -3.231 -8.875 1.00 33.22 C ATOM 480 C PHE A 31 22.272 -4.380 -8.568 1.00 54.45 C ATOM 481 O PHE A 31 22.763 -4.510 -7.447 1.00 75.41 O ATOM 482 CB PHE A 31 21.660 -2.019 -8.007 1.00 65.14 C ATOM 483 CG PHE A 31 20.462 -1.206 -7.609 1.00 3.21 C ATOM 484 CD1 PHE A 31 19.741 -1.523 -6.470 1.00 33.35 C ATOM 485 CD2 PHE A 31 20.057 -0.124 -8.374 1.00 42.01 C ATOM 486 CE1 PHE A 31 18.638 -0.777 -6.100 1.00 12.43 C ATOM 487 CE2 PHE A 31 18.956 0.626 -8.009 1.00 54.51 C ATOM 488 CZ PHE A 31 18.244 0.299 -6.871 1.00 42.13 C ATOM 0 H PHE A 31 19.664 -3.703 -7.671 1.00 30.43 H new ATOM 0 HA PHE A 31 21.425 -2.961 -9.925 1.00 33.22 H new ATOM 0 HB2 PHE A 31 22.172 -2.360 -7.108 1.00 65.14 H new ATOM 0 HB3 PHE A 31 22.358 -1.381 -8.549 1.00 65.14 H new ATOM 0 HD1 PHE A 31 20.044 -2.363 -5.863 1.00 33.35 H new ATOM 0 HD2 PHE A 31 20.608 0.136 -9.266 1.00 42.01 H new ATOM 0 HE1 PHE A 31 18.085 -1.035 -5.209 1.00 12.43 H new ATOM 0 HE2 PHE A 31 18.652 1.468 -8.613 1.00 54.51 H new ATOM 0 HZ PHE A 31 17.382 0.883 -6.585 1.00 42.13 H new ATOM 498 N ASP A 32 22.531 -5.209 -9.573 1.00 62.20 N ATOM 499 CA ASP A 32 23.429 -6.347 -9.413 1.00 4.34 C ATOM 500 C ASP A 32 24.883 -5.887 -9.348 1.00 55.11 C ATOM 501 O ASP A 32 25.783 -6.679 -9.072 1.00 14.30 O ATOM 502 CB ASP A 32 23.245 -7.336 -10.565 1.00 2.24 C ATOM 503 CG ASP A 32 22.288 -8.459 -10.216 1.00 42.21 C ATOM 504 OD1 ASP A 32 21.219 -8.170 -9.638 1.00 41.04 O ATOM 505 OD2 ASP A 32 22.608 -9.626 -10.522 1.00 30.43 O ATOM 0 H ASP A 32 22.132 -5.115 -10.507 1.00 62.20 H new ATOM 0 HA ASP A 32 23.181 -6.844 -8.475 1.00 4.34 H new ATOM 0 HB2 ASP A 32 22.873 -6.804 -11.441 1.00 2.24 H new ATOM 0 HB3 ASP A 32 24.213 -7.758 -10.836 1.00 2.24 H new ATOM 510 N ASN A 33 25.103 -4.602 -9.606 1.00 3.10 N ATOM 511 CA ASN A 33 26.447 -4.037 -9.579 1.00 5.21 C ATOM 512 C ASN A 33 26.530 -2.876 -8.592 1.00 53.13 C ATOM 513 O ASN A 33 27.527 -2.155 -8.546 1.00 54.34 O ATOM 514 CB ASN A 33 26.852 -3.563 -10.976 1.00 43.12 C ATOM 515 CG ASN A 33 28.042 -4.327 -11.524 1.00 4.04 C ATOM 516 OD1 ASN A 33 29.015 -3.733 -11.990 1.00 13.35 O ATOM 517 ND2 ASN A 33 27.970 -5.652 -11.470 1.00 2.13 N ATOM 0 H ASN A 33 24.368 -3.933 -9.836 1.00 3.10 H new ATOM 0 HA ASN A 33 27.135 -4.817 -9.254 1.00 5.21 H new ATOM 0 HB2 ASN A 33 26.007 -3.677 -11.655 1.00 43.12 H new ATOM 0 HB3 ASN A 33 27.091 -2.500 -10.941 1.00 43.12 H new ATOM 0 HD21 ASN A 33 28.741 -6.219 -11.823 1.00 2.13 H new ATOM 0 HD22 ASN A 33 27.144 -6.102 -11.075 1.00 2.13 H new ATOM 524 N LYS A 34 25.475 -2.701 -7.803 1.00 71.34 N ATOM 525 CA LYS A 34 25.427 -1.630 -6.816 1.00 13.15 C ATOM 526 C LYS A 34 24.504 -1.998 -5.658 1.00 73.13 C ATOM 527 O LYS A 34 23.945 -1.125 -4.994 1.00 54.13 O ATOM 528 CB LYS A 34 24.952 -0.329 -7.467 1.00 11.04 C ATOM 529 CG LYS A 34 25.969 0.284 -8.413 1.00 44.30 C ATOM 530 CD LYS A 34 27.267 0.617 -7.697 1.00 4.34 C ATOM 531 CE LYS A 34 27.600 2.097 -7.806 1.00 4.41 C ATOM 532 NZ LYS A 34 28.164 2.634 -6.536 1.00 55.43 N ATOM 0 H LYS A 34 24.641 -3.288 -7.829 1.00 71.34 H new ATOM 0 HA LYS A 34 26.434 -1.486 -6.424 1.00 13.15 H new ATOM 0 HB2 LYS A 34 24.029 -0.522 -8.014 1.00 11.04 H new ATOM 0 HB3 LYS A 34 24.714 0.393 -6.686 1.00 11.04 H new ATOM 0 HG2 LYS A 34 26.171 -0.408 -9.230 1.00 44.30 H new ATOM 0 HG3 LYS A 34 25.555 1.189 -8.857 1.00 44.30 H new ATOM 0 HD2 LYS A 34 27.186 0.338 -6.647 1.00 4.34 H new ATOM 0 HD3 LYS A 34 28.080 0.028 -8.122 1.00 4.34 H new ATOM 0 HE2 LYS A 34 28.315 2.250 -8.614 1.00 4.41 H new ATOM 0 HE3 LYS A 34 26.700 2.653 -8.068 1.00 4.41 H new ATOM 0 HZ1 LYS A 34 28.378 3.645 -6.651 1.00 55.43 H new ATOM 0 HZ2 LYS A 34 27.472 2.512 -5.770 1.00 55.43 H new ATOM 0 HZ3 LYS A 34 29.037 2.121 -6.299 1.00 55.43 H new ATOM 546 N LYS A 35 24.349 -3.296 -5.421 1.00 22.24 N ATOM 547 CA LYS A 35 23.496 -3.781 -4.342 1.00 4.22 C ATOM 548 C LYS A 35 23.853 -3.106 -3.021 1.00 41.33 C ATOM 549 O LYS A 35 24.864 -2.410 -2.921 1.00 42.02 O ATOM 550 CB LYS A 35 23.628 -5.299 -4.203 1.00 23.14 C ATOM 551 CG LYS A 35 25.053 -5.766 -3.960 1.00 62.12 C ATOM 552 CD LYS A 35 25.350 -7.059 -4.701 1.00 73.22 C ATOM 553 CE LYS A 35 26.841 -7.359 -4.724 1.00 53.13 C ATOM 554 NZ LYS A 35 27.274 -7.919 -6.034 1.00 53.25 N ATOM 0 H LYS A 35 24.803 -4.032 -5.962 1.00 22.24 H new ATOM 0 HA LYS A 35 22.464 -3.533 -4.589 1.00 4.22 H new ATOM 0 HB2 LYS A 35 22.999 -5.636 -3.379 1.00 23.14 H new ATOM 0 HB3 LYS A 35 23.249 -5.773 -5.108 1.00 23.14 H new ATOM 0 HG2 LYS A 35 25.750 -4.993 -4.282 1.00 62.12 H new ATOM 0 HG3 LYS A 35 25.211 -5.913 -2.892 1.00 62.12 H new ATOM 0 HD2 LYS A 35 24.819 -7.883 -4.224 1.00 73.22 H new ATOM 0 HD3 LYS A 35 24.976 -6.988 -5.722 1.00 73.22 H new ATOM 0 HE2 LYS A 35 27.398 -6.445 -4.518 1.00 53.13 H new ATOM 0 HE3 LYS A 35 27.082 -8.066 -3.930 1.00 53.13 H new ATOM 0 HZ1 LYS A 35 28.296 -8.110 -6.009 1.00 53.25 H new ATOM 0 HZ2 LYS A 35 26.761 -8.804 -6.220 1.00 53.25 H new ATOM 0 HZ3 LYS A 35 27.068 -7.234 -6.789 1.00 53.25 H new ATOM 568 N CYS A 36 23.018 -3.316 -2.010 1.00 33.53 N ATOM 569 CA CYS A 36 23.245 -2.730 -0.695 1.00 11.44 C ATOM 570 C CYS A 36 24.679 -2.971 -0.232 1.00 12.23 C ATOM 571 O CYS A 36 25.285 -3.993 -0.556 1.00 50.52 O ATOM 572 CB CYS A 36 22.264 -3.313 0.324 1.00 75.22 C ATOM 573 SG CYS A 36 22.043 -5.117 0.195 1.00 41.21 S ATOM 0 H CYS A 36 22.177 -3.889 -2.076 1.00 33.53 H new ATOM 0 HA CYS A 36 23.082 -1.655 -0.772 1.00 11.44 H new ATOM 0 HB2 CYS A 36 22.613 -3.071 1.328 1.00 75.22 H new ATOM 0 HB3 CYS A 36 21.295 -2.829 0.198 1.00 75.22 H new ATOM 578 N THR A 37 25.217 -2.023 0.530 1.00 55.45 N ATOM 579 CA THR A 37 26.579 -2.131 1.037 1.00 55.43 C ATOM 580 C THR A 37 26.671 -1.631 2.474 1.00 22.30 C ATOM 581 O THR A 37 27.763 -1.383 2.987 1.00 35.11 O ATOM 582 CB THR A 37 27.568 -1.335 0.164 1.00 14.12 C ATOM 583 OG1 THR A 37 26.945 -0.137 -0.314 1.00 4.04 O ATOM 584 CG2 THR A 37 28.043 -2.171 -1.015 1.00 14.32 C ATOM 0 H THR A 37 24.729 -1.172 0.809 1.00 55.45 H new ATOM 0 HA THR A 37 26.846 -3.187 1.005 1.00 55.43 H new ATOM 0 HB THR A 37 28.432 -1.075 0.776 1.00 14.12 H new ATOM 0 HG1 THR A 37 27.581 0.364 -0.867 1.00 4.04 H new ATOM 0 HG21 THR A 37 28.740 -1.588 -1.617 1.00 14.32 H new ATOM 0 HG22 THR A 37 28.542 -3.068 -0.648 1.00 14.32 H new ATOM 0 HG23 THR A 37 27.187 -2.457 -1.626 1.00 14.32 H new ATOM 592 N LYS A 38 25.519 -1.486 3.121 1.00 64.55 N ATOM 593 CA LYS A 38 25.470 -1.019 4.501 1.00 54.44 C ATOM 594 C LYS A 38 24.527 -1.881 5.334 1.00 52.12 C ATOM 595 O LYS A 38 23.523 -2.385 4.830 1.00 61.13 O ATOM 596 CB LYS A 38 25.018 0.443 4.549 1.00 22.13 C ATOM 597 CG LYS A 38 26.120 1.407 4.953 1.00 24.35 C ATOM 598 CD LYS A 38 26.176 1.589 6.461 1.00 44.21 C ATOM 599 CE LYS A 38 26.198 3.061 6.844 1.00 52.12 C ATOM 600 NZ LYS A 38 26.175 3.250 8.321 1.00 54.43 N ATOM 0 H LYS A 38 24.607 -1.685 2.711 1.00 64.55 H new ATOM 0 HA LYS A 38 26.472 -1.098 4.922 1.00 54.44 H new ATOM 0 HB2 LYS A 38 24.638 0.729 3.568 1.00 22.13 H new ATOM 0 HB3 LYS A 38 24.190 0.536 5.252 1.00 22.13 H new ATOM 0 HG2 LYS A 38 27.080 1.035 4.595 1.00 24.35 H new ATOM 0 HG3 LYS A 38 25.954 2.372 4.475 1.00 24.35 H new ATOM 0 HD2 LYS A 38 25.313 1.106 6.919 1.00 44.21 H new ATOM 0 HD3 LYS A 38 27.065 1.096 6.855 1.00 44.21 H new ATOM 0 HE2 LYS A 38 27.091 3.530 6.432 1.00 52.12 H new ATOM 0 HE3 LYS A 38 25.339 3.565 6.400 1.00 52.12 H new ATOM 0 HZ1 LYS A 38 26.191 4.266 8.541 1.00 54.43 H new ATOM 0 HZ2 LYS A 38 25.310 2.825 8.712 1.00 54.43 H new ATOM 0 HZ3 LYS A 38 27.008 2.791 8.743 1.00 54.43 H new ATOM 614 N ASP A 39 24.855 -2.045 6.610 1.00 4.24 N ATOM 615 CA ASP A 39 24.036 -2.844 7.514 1.00 22.12 C ATOM 616 C ASP A 39 22.856 -2.033 8.039 1.00 53.43 C ATOM 617 O ASP A 39 23.028 -0.925 8.545 1.00 53.44 O ATOM 618 CB ASP A 39 24.879 -3.355 8.683 1.00 23.44 C ATOM 619 CG ASP A 39 24.531 -4.779 9.069 1.00 34.45 C ATOM 620 OD1 ASP A 39 25.330 -5.690 8.766 1.00 42.42 O ATOM 621 OD2 ASP A 39 23.459 -4.984 9.676 1.00 15.41 O ATOM 0 H ASP A 39 25.683 -1.635 7.042 1.00 4.24 H new ATOM 0 HA ASP A 39 23.648 -3.696 6.955 1.00 22.12 H new ATOM 0 HB2 ASP A 39 25.935 -3.302 8.417 1.00 23.44 H new ATOM 0 HB3 ASP A 39 24.734 -2.703 9.544 1.00 23.44 H new ATOM 626 N ASN A 40 21.657 -2.592 7.913 1.00 71.51 N ATOM 627 CA ASN A 40 20.447 -1.920 8.373 1.00 42.12 C ATOM 628 C ASN A 40 20.314 -0.542 7.732 1.00 73.04 C ATOM 629 O ASN A 40 20.033 0.445 8.410 1.00 32.12 O ATOM 630 CB ASN A 40 20.461 -1.786 9.897 1.00 61.30 C ATOM 631 CG ASN A 40 20.415 -3.131 10.596 1.00 63.53 C ATOM 632 OD1 ASN A 40 19.763 -4.065 10.127 1.00 3.13 O ATOM 633 ND2 ASN A 40 21.109 -3.236 11.723 1.00 63.40 N ATOM 0 H ASN A 40 21.497 -3.509 7.496 1.00 71.51 H new ATOM 0 HA ASN A 40 19.590 -2.524 8.076 1.00 42.12 H new ATOM 0 HB2 ASN A 40 21.360 -1.251 10.204 1.00 61.30 H new ATOM 0 HB3 ASN A 40 19.608 -1.185 10.214 1.00 61.30 H new ATOM 0 HD21 ASN A 40 21.116 -4.117 12.237 1.00 63.40 H new ATOM 0 HD22 ASN A 40 21.635 -2.436 12.075 1.00 63.40 H new ATOM 640 N ASN A 41 20.517 -0.484 6.419 1.00 14.14 N ATOM 641 CA ASN A 41 20.419 0.773 5.686 1.00 71.22 C ATOM 642 C ASN A 41 18.977 1.051 5.274 1.00 55.51 C ATOM 643 O ASN A 41 18.048 0.386 5.733 1.00 61.53 O ATOM 644 CB ASN A 41 21.317 0.736 4.447 1.00 34.34 C ATOM 645 CG ASN A 41 20.850 -0.282 3.425 1.00 33.51 C ATOM 646 OD1 ASN A 41 19.726 -0.208 2.927 1.00 23.41 O ATOM 647 ND2 ASN A 41 21.713 -1.241 3.108 1.00 53.42 N ATOM 0 H ASN A 41 20.750 -1.292 5.842 1.00 14.14 H new ATOM 0 HA ASN A 41 20.752 1.576 6.344 1.00 71.22 H new ATOM 0 HB2 ASN A 41 21.339 1.724 3.988 1.00 34.34 H new ATOM 0 HB3 ASN A 41 22.338 0.502 4.748 1.00 34.34 H new ATOM 0 HD21 ASN A 41 21.455 -1.955 2.427 1.00 53.42 H new ATOM 0 HD22 ASN A 41 22.634 -1.263 3.546 1.00 53.42 H new ATOM 654 N LYS A 42 18.796 2.040 4.405 1.00 53.12 N ATOM 655 CA LYS A 42 17.468 2.407 3.928 1.00 15.22 C ATOM 656 C LYS A 42 17.191 1.791 2.561 1.00 74.23 C ATOM 657 O LYS A 42 17.761 2.210 1.553 1.00 73.53 O ATOM 658 CB LYS A 42 17.334 3.930 3.850 1.00 61.34 C ATOM 659 CG LYS A 42 17.900 4.653 5.059 1.00 12.05 C ATOM 660 CD LYS A 42 17.057 5.861 5.431 1.00 11.42 C ATOM 661 CE LYS A 42 17.911 7.110 5.589 1.00 25.33 C ATOM 662 NZ LYS A 42 17.195 8.181 6.336 1.00 45.13 N ATOM 0 H LYS A 42 19.553 2.602 4.016 1.00 53.12 H new ATOM 0 HA LYS A 42 16.735 2.020 4.636 1.00 15.22 H new ATOM 0 HB2 LYS A 42 17.842 4.286 2.954 1.00 61.34 H new ATOM 0 HB3 LYS A 42 16.281 4.189 3.743 1.00 61.34 H new ATOM 0 HG2 LYS A 42 17.948 3.967 5.905 1.00 12.05 H new ATOM 0 HG3 LYS A 42 18.921 4.971 4.849 1.00 12.05 H new ATOM 0 HD2 LYS A 42 16.302 6.030 4.663 1.00 11.42 H new ATOM 0 HD3 LYS A 42 16.525 5.662 6.362 1.00 11.42 H new ATOM 0 HE2 LYS A 42 18.833 6.856 6.113 1.00 25.33 H new ATOM 0 HE3 LYS A 42 18.196 7.482 4.605 1.00 25.33 H new ATOM 0 HZ1 LYS A 42 17.810 9.015 6.422 1.00 45.13 H new ATOM 0 HZ2 LYS A 42 16.328 8.442 5.824 1.00 45.13 H new ATOM 0 HZ3 LYS A 42 16.945 7.835 7.285 1.00 45.13 H new ATOM 676 N CYS A 43 16.311 0.795 2.533 1.00 42.03 N ATOM 677 CA CYS A 43 15.957 0.121 1.289 1.00 4.41 C ATOM 678 C CYS A 43 14.479 -0.256 1.277 1.00 71.23 C ATOM 679 O CYS A 43 13.925 -0.677 2.293 1.00 71.12 O ATOM 680 CB CYS A 43 16.816 -1.131 1.101 1.00 44.44 C ATOM 681 SG CYS A 43 16.318 -2.538 2.144 1.00 73.55 S ATOM 0 H CYS A 43 15.830 0.437 3.358 1.00 42.03 H new ATOM 0 HA CYS A 43 16.145 0.809 0.465 1.00 4.41 H new ATOM 0 HB2 CYS A 43 16.773 -1.435 0.055 1.00 44.44 H new ATOM 0 HB3 CYS A 43 17.855 -0.882 1.318 1.00 44.44 H new ATOM 686 N THR A 44 13.844 -0.103 0.118 1.00 24.05 N ATOM 687 CA THR A 44 12.431 -0.426 -0.027 1.00 72.52 C ATOM 688 C THR A 44 12.220 -1.506 -1.082 1.00 72.33 C ATOM 689 O THR A 44 12.703 -1.391 -2.209 1.00 12.33 O ATOM 690 CB THR A 44 11.606 0.817 -0.410 1.00 4.22 C ATOM 691 OG1 THR A 44 12.209 1.480 -1.527 1.00 5.13 O ATOM 692 CG2 THR A 44 11.504 1.780 0.763 1.00 11.32 C ATOM 0 H THR A 44 14.287 0.243 -0.733 1.00 24.05 H new ATOM 0 HA THR A 44 12.091 -0.794 0.941 1.00 72.52 H new ATOM 0 HB THR A 44 10.602 0.491 -0.681 1.00 4.22 H new ATOM 0 HG1 THR A 44 12.241 0.869 -2.292 1.00 5.13 H new ATOM 0 HG21 THR A 44 10.917 2.650 0.469 1.00 11.32 H new ATOM 0 HG22 THR A 44 11.019 1.281 1.602 1.00 11.32 H new ATOM 0 HG23 THR A 44 12.503 2.099 1.059 1.00 11.32 H new ATOM 700 N VAL A 45 11.494 -2.556 -0.711 1.00 24.52 N ATOM 701 CA VAL A 45 11.218 -3.657 -1.626 1.00 53.14 C ATOM 702 C VAL A 45 9.928 -3.415 -2.402 1.00 50.15 C ATOM 703 O VAL A 45 8.902 -3.054 -1.825 1.00 63.10 O ATOM 704 CB VAL A 45 11.108 -4.998 -0.876 1.00 4.51 C ATOM 705 CG1 VAL A 45 10.768 -6.123 -1.840 1.00 63.44 C ATOM 706 CG2 VAL A 45 12.400 -5.296 -0.129 1.00 35.12 C ATOM 0 H VAL A 45 11.086 -2.667 0.217 1.00 24.52 H new ATOM 0 HA VAL A 45 12.055 -3.707 -2.322 1.00 53.14 H new ATOM 0 HB VAL A 45 10.302 -4.922 -0.147 1.00 4.51 H new ATOM 0 HG11 VAL A 45 10.695 -7.062 -1.292 1.00 63.44 H new ATOM 0 HG12 VAL A 45 9.815 -5.911 -2.325 1.00 63.44 H new ATOM 0 HG13 VAL A 45 11.550 -6.204 -2.595 1.00 63.44 H new ATOM 0 HG21 VAL A 45 12.306 -6.247 0.396 1.00 35.12 H new ATOM 0 HG22 VAL A 45 13.226 -5.353 -0.838 1.00 35.12 H new ATOM 0 HG23 VAL A 45 12.595 -4.502 0.592 1.00 35.12 H new ATOM 716 N ASP A 46 9.987 -3.616 -3.714 1.00 71.42 N ATOM 717 CA ASP A 46 8.823 -3.422 -4.571 1.00 12.23 C ATOM 718 C ASP A 46 8.420 -4.729 -5.246 1.00 23.10 C ATOM 719 O ASP A 46 8.921 -5.067 -6.319 1.00 42.32 O ATOM 720 CB ASP A 46 9.113 -2.356 -5.628 1.00 44.41 C ATOM 721 CG ASP A 46 8.195 -1.155 -5.508 1.00 22.33 C ATOM 722 OD1 ASP A 46 7.013 -1.346 -5.154 1.00 15.31 O ATOM 723 OD2 ASP A 46 8.659 -0.025 -5.766 1.00 64.43 O ATOM 0 H ASP A 46 10.829 -3.913 -4.207 1.00 71.42 H new ATOM 0 HA ASP A 46 7.995 -3.087 -3.946 1.00 12.23 H new ATOM 0 HB2 ASP A 46 10.148 -2.029 -5.535 1.00 44.41 H new ATOM 0 HB3 ASP A 46 9.005 -2.794 -6.620 1.00 44.41 H new ATOM 728 N THR A 47 7.513 -5.463 -4.610 1.00 34.13 N ATOM 729 CA THR A 47 7.044 -6.734 -5.147 1.00 63.30 C ATOM 730 C THR A 47 6.261 -6.530 -6.439 1.00 31.14 C ATOM 731 O THR A 47 6.000 -7.482 -7.175 1.00 43.21 O ATOM 732 CB THR A 47 6.156 -7.480 -4.133 1.00 52.43 C ATOM 733 OG1 THR A 47 4.878 -6.840 -4.038 1.00 42.23 O ATOM 734 CG2 THR A 47 6.813 -7.517 -2.762 1.00 42.30 C ATOM 0 H THR A 47 7.088 -5.199 -3.721 1.00 34.13 H new ATOM 0 HA THR A 47 7.929 -7.335 -5.354 1.00 63.30 H new ATOM 0 HB THR A 47 6.025 -8.504 -4.483 1.00 52.43 H new ATOM 0 HG1 THR A 47 4.319 -7.321 -3.393 1.00 42.23 H new ATOM 0 HG21 THR A 47 6.167 -8.049 -2.063 1.00 42.30 H new ATOM 0 HG22 THR A 47 7.772 -8.030 -2.832 1.00 42.30 H new ATOM 0 HG23 THR A 47 6.971 -6.499 -2.407 1.00 42.30 H new ATOM 742 N TYR A 48 5.888 -5.284 -6.708 1.00 43.01 N ATOM 743 CA TYR A 48 5.133 -4.955 -7.911 1.00 75.40 C ATOM 744 C TYR A 48 5.814 -5.519 -9.154 1.00 24.32 C ATOM 745 O TYR A 48 5.153 -5.979 -10.084 1.00 10.33 O ATOM 746 CB TYR A 48 4.979 -3.439 -8.044 1.00 34.33 C ATOM 747 CG TYR A 48 4.007 -3.022 -9.124 1.00 40.33 C ATOM 748 CD1 TYR A 48 2.768 -3.639 -9.248 1.00 43.04 C ATOM 749 CD2 TYR A 48 4.328 -2.011 -10.022 1.00 12.22 C ATOM 750 CE1 TYR A 48 1.878 -3.261 -10.235 1.00 34.35 C ATOM 751 CE2 TYR A 48 3.443 -1.626 -11.010 1.00 12.40 C ATOM 752 CZ TYR A 48 2.219 -2.254 -11.112 1.00 42.25 C ATOM 753 OH TYR A 48 1.335 -1.874 -12.096 1.00 44.05 O ATOM 0 H TYR A 48 6.096 -4.485 -6.109 1.00 43.01 H new ATOM 0 HA TYR A 48 4.145 -5.408 -7.823 1.00 75.40 H new ATOM 0 HB2 TYR A 48 4.646 -3.031 -7.090 1.00 34.33 H new ATOM 0 HB3 TYR A 48 5.954 -3.000 -8.255 1.00 34.33 H new ATOM 0 HD1 TYR A 48 2.496 -4.427 -8.561 1.00 43.04 H new ATOM 0 HD2 TYR A 48 5.286 -1.518 -9.946 1.00 12.22 H new ATOM 0 HE1 TYR A 48 0.920 -3.752 -10.319 1.00 34.35 H new ATOM 0 HE2 TYR A 48 3.708 -0.838 -11.699 1.00 12.40 H new ATOM 0 HH TYR A 48 1.729 -1.151 -12.628 1.00 44.05 H new ATOM 763 N ASN A 49 7.143 -5.481 -9.161 1.00 10.32 N ATOM 764 CA ASN A 49 7.916 -5.988 -10.288 1.00 45.45 C ATOM 765 C ASN A 49 9.302 -6.440 -9.838 1.00 60.31 C ATOM 766 O ASN A 49 10.252 -6.435 -10.620 1.00 21.25 O ATOM 767 CB ASN A 49 8.045 -4.913 -11.370 1.00 3.34 C ATOM 768 CG ASN A 49 8.206 -3.522 -10.786 1.00 71.12 C ATOM 769 OD1 ASN A 49 7.243 -2.761 -10.694 1.00 11.33 O ATOM 770 ND2 ASN A 49 9.427 -3.185 -10.390 1.00 4.45 N ATOM 0 H ASN A 49 7.706 -5.104 -8.399 1.00 10.32 H new ATOM 0 HA ASN A 49 7.388 -6.848 -10.700 1.00 45.45 H new ATOM 0 HB2 ASN A 49 8.903 -5.140 -12.003 1.00 3.34 H new ATOM 0 HB3 ASN A 49 7.162 -4.936 -12.009 1.00 3.34 H new ATOM 0 HD21 ASN A 49 9.597 -2.262 -9.990 1.00 4.45 H new ATOM 0 HD22 ASN A 49 10.196 -3.849 -10.486 1.00 4.45 H new ATOM 777 N ASN A 50 9.408 -6.832 -8.572 1.00 42.05 N ATOM 778 CA ASN A 50 10.677 -7.288 -8.017 1.00 64.15 C ATOM 779 C ASN A 50 11.784 -6.273 -8.285 1.00 44.11 C ATOM 780 O ASN A 50 12.562 -6.421 -9.228 1.00 14.23 O ATOM 781 CB ASN A 50 11.060 -8.645 -8.612 1.00 52.03 C ATOM 782 CG ASN A 50 10.349 -9.797 -7.929 1.00 15.11 C ATOM 783 OD1 ASN A 50 9.314 -10.270 -8.400 1.00 44.14 O ATOM 784 ND2 ASN A 50 10.901 -10.254 -6.811 1.00 43.32 N ATOM 0 H ASN A 50 8.631 -6.843 -7.912 1.00 42.05 H new ATOM 0 HA ASN A 50 10.556 -7.392 -6.939 1.00 64.15 H new ATOM 0 HB2 ASN A 50 10.821 -8.653 -9.675 1.00 52.03 H new ATOM 0 HB3 ASN A 50 12.138 -8.785 -8.527 1.00 52.03 H new ATOM 0 HD21 ASN A 50 10.467 -11.027 -6.307 1.00 43.32 H new ATOM 0 HD22 ASN A 50 11.759 -9.832 -6.457 1.00 43.32 H new ATOM 791 N ALA A 51 11.849 -5.242 -7.449 1.00 24.34 N ATOM 792 CA ALA A 51 12.862 -4.204 -7.593 1.00 23.01 C ATOM 793 C ALA A 51 13.044 -3.430 -6.292 1.00 13.51 C ATOM 794 O ALA A 51 12.326 -2.466 -6.026 1.00 54.51 O ATOM 795 CB ALA A 51 12.491 -3.258 -8.725 1.00 53.01 C ATOM 0 H ALA A 51 11.212 -5.103 -6.665 1.00 24.34 H new ATOM 0 HA ALA A 51 13.809 -4.686 -7.833 1.00 23.01 H new ATOM 0 HB1 ALA A 51 13.256 -2.488 -8.821 1.00 53.01 H new ATOM 0 HB2 ALA A 51 12.420 -3.817 -9.658 1.00 53.01 H new ATOM 0 HB3 ALA A 51 11.531 -2.790 -8.508 1.00 53.01 H new ATOM 801 N VAL A 52 14.008 -3.858 -5.483 1.00 51.32 N ATOM 802 CA VAL A 52 14.284 -3.204 -4.209 1.00 50.15 C ATOM 803 C VAL A 52 15.160 -1.971 -4.403 1.00 33.10 C ATOM 804 O VAL A 52 15.840 -1.833 -5.420 1.00 74.41 O ATOM 805 CB VAL A 52 14.978 -4.164 -3.225 1.00 11.32 C ATOM 806 CG1 VAL A 52 16.434 -4.368 -3.614 1.00 40.24 C ATOM 807 CG2 VAL A 52 14.867 -3.638 -1.802 1.00 31.14 C ATOM 0 H VAL A 52 14.611 -4.655 -5.687 1.00 51.32 H new ATOM 0 HA VAL A 52 13.323 -2.901 -3.793 1.00 50.15 H new ATOM 0 HB VAL A 52 14.476 -5.130 -3.272 1.00 11.32 H new ATOM 0 HG11 VAL A 52 16.907 -5.049 -2.907 1.00 40.24 H new ATOM 0 HG12 VAL A 52 16.487 -4.792 -4.617 1.00 40.24 H new ATOM 0 HG13 VAL A 52 16.953 -3.410 -3.597 1.00 40.24 H new ATOM 0 HG21 VAL A 52 15.363 -4.328 -1.119 1.00 31.14 H new ATOM 0 HG22 VAL A 52 15.343 -2.660 -1.738 1.00 31.14 H new ATOM 0 HG23 VAL A 52 13.816 -3.549 -1.528 1.00 31.14 H new ATOM 817 N ASP A 53 15.139 -1.077 -3.420 1.00 73.44 N ATOM 818 CA ASP A 53 15.932 0.145 -3.481 1.00 63.52 C ATOM 819 C ASP A 53 17.097 0.085 -2.498 1.00 1.52 C ATOM 820 O ASP A 53 17.268 0.978 -1.667 1.00 42.32 O ATOM 821 CB ASP A 53 15.057 1.362 -3.181 1.00 53.24 C ATOM 822 CG ASP A 53 14.313 1.856 -4.406 1.00 74.05 C ATOM 823 OD1 ASP A 53 13.066 1.785 -4.412 1.00 54.12 O ATOM 824 OD2 ASP A 53 14.977 2.314 -5.359 1.00 41.01 O ATOM 0 H ASP A 53 14.581 -1.176 -2.572 1.00 73.44 H new ATOM 0 HA ASP A 53 16.335 0.238 -4.490 1.00 63.52 H new ATOM 0 HB2 ASP A 53 14.339 1.106 -2.402 1.00 53.24 H new ATOM 0 HB3 ASP A 53 15.680 2.166 -2.789 1.00 53.24 H new ATOM 829 N CYS A 54 17.895 -0.972 -2.597 1.00 21.44 N ATOM 830 CA CYS A 54 19.043 -1.150 -1.716 1.00 10.14 C ATOM 831 C CYS A 54 19.987 0.046 -1.804 1.00 72.12 C ATOM 832 O CYS A 54 20.366 0.471 -2.896 1.00 23.24 O ATOM 833 CB CYS A 54 19.794 -2.434 -2.074 1.00 52.21 C ATOM 834 SG CYS A 54 19.013 -3.953 -1.441 1.00 23.13 S ATOM 0 H CYS A 54 17.768 -1.719 -3.279 1.00 21.44 H new ATOM 0 HA CYS A 54 18.675 -1.226 -0.693 1.00 10.14 H new ATOM 0 HB2 CYS A 54 19.875 -2.505 -3.159 1.00 52.21 H new ATOM 0 HB3 CYS A 54 20.809 -2.370 -1.682 1.00 52.21 H new ATOM 839 N ASP A 55 20.362 0.583 -0.649 1.00 15.44 N ATOM 840 CA ASP A 55 21.262 1.729 -0.595 1.00 10.33 C ATOM 841 C ASP A 55 22.533 1.460 -1.394 1.00 70.21 C ATOM 842 O ASP A 55 23.475 0.845 -0.892 1.00 42.30 O ATOM 843 CB ASP A 55 21.617 2.058 0.856 1.00 22.12 C ATOM 844 CG ASP A 55 22.045 3.501 1.035 1.00 43.32 C ATOM 845 OD1 ASP A 55 21.199 4.400 0.842 1.00 63.33 O ATOM 846 OD2 ASP A 55 23.226 3.732 1.368 1.00 1.54 O ATOM 0 H ASP A 55 20.057 0.243 0.263 1.00 15.44 H new ATOM 0 HA ASP A 55 20.750 2.583 -1.038 1.00 10.33 H new ATOM 0 HB2 ASP A 55 20.755 1.856 1.492 1.00 22.12 H new ATOM 0 HB3 ASP A 55 22.420 1.400 1.189 1.00 22.12 H new