USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot -130:sc= -2.22 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.686 K(o=-1.5,f=-0.07) USER MOD Set 2.1: A 33 ASN : amide:sc= -1.69 K(o=-3,f=-9.6!) USER MOD Set 2.2: A 50 ASN : amide:sc= -1.26! C(o=-3!,f=-2.9!) USER MOD Set 3.1: A 8 THR OG1 : rot 171:sc= 1.01 USER MOD Set 3.2: A 10 SER OG : rot 84:sc= 1.06 USER MOD Single : A 1 ALA N :NH3+ 142:sc= 0.0315 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -106:sc=-0.00765 (180deg=-0.187) USER MOD Single : A 3 TYR OH : rot -75:sc= 0.0182 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 9 LYS NZ :NH3+ -171:sc= 0.00363 (180deg=6.3e-05) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0.00909 (180deg=-0.0448) USER MOD Single : A 12 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -3.24! K(o=-3.2!,f=-1.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0322 (180deg=-0.246) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= -0.182 (180deg=-0.655) 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 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.03) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0392 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= -0.2 K(o=-0.2,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.373 -0.020 0.170 1.00 30.03 N ATOM 2 CA ALA A 1 2.156 -0.189 -1.047 1.00 44.43 C ATOM 3 C ALA A 1 3.431 -0.980 -0.775 1.00 31.32 C ATOM 4 O ALA A 1 4.006 -0.898 0.311 1.00 55.31 O ATOM 5 CB ALA A 1 2.494 1.167 -1.650 1.00 14.21 C ATOM 0 H1 ALA A 1 0.948 0.929 0.180 1.00 30.03 H new ATOM 0 H2 ALA A 1 0.620 -0.737 0.201 1.00 30.03 H new ATOM 0 H3 ALA A 1 1.991 -0.132 0.999 1.00 30.03 H new ATOM 0 HA ALA A 1 1.555 -0.753 -1.760 1.00 44.43 H new ATOM 0 HB1 ALA A 1 3.079 1.025 -2.559 1.00 14.21 H new ATOM 0 HB2 ALA A 1 1.573 1.698 -1.891 1.00 14.21 H new ATOM 0 HB3 ALA A 1 3.072 1.750 -0.933 1.00 14.21 H new ATOM 11 N LYS A 2 3.868 -1.748 -1.767 1.00 21.41 N ATOM 12 CA LYS A 2 5.075 -2.555 -1.635 1.00 64.44 C ATOM 13 C LYS A 2 5.808 -2.660 -2.969 1.00 50.12 C ATOM 14 O LYS A 2 6.847 -2.030 -3.169 1.00 21.34 O ATOM 15 CB LYS A 2 4.725 -3.954 -1.123 1.00 22.22 C ATOM 16 CG LYS A 2 4.936 -4.125 0.372 1.00 43.14 C ATOM 17 CD LYS A 2 6.249 -4.829 0.673 1.00 51.35 C ATOM 18 CE LYS A 2 7.442 -3.935 0.372 1.00 3.33 C ATOM 19 NZ LYS A 2 8.097 -4.297 -0.915 1.00 70.41 N ATOM 0 H LYS A 2 3.404 -1.829 -2.672 1.00 21.41 H new ATOM 0 HA LYS A 2 5.732 -2.065 -0.916 1.00 64.44 H new ATOM 0 HB2 LYS A 2 3.683 -4.169 -1.361 1.00 22.22 H new ATOM 0 HB3 LYS A 2 5.331 -4.688 -1.653 1.00 22.22 H new ATOM 0 HG2 LYS A 2 4.927 -3.148 0.856 1.00 43.14 H new ATOM 0 HG3 LYS A 2 4.110 -4.698 0.794 1.00 43.14 H new ATOM 0 HD2 LYS A 2 6.271 -5.127 1.721 1.00 51.35 H new ATOM 0 HD3 LYS A 2 6.318 -5.741 0.081 1.00 51.35 H new ATOM 0 HE2 LYS A 2 7.116 -2.896 0.334 1.00 3.33 H new ATOM 0 HE3 LYS A 2 8.167 -4.012 1.182 1.00 3.33 H new ATOM 0 HZ1 LYS A 2 8.995 -4.784 -0.722 1.00 70.41 H new ATOM 0 HZ2 LYS A 2 7.472 -4.926 -1.458 1.00 70.41 H new ATOM 0 HZ3 LYS A 2 8.282 -3.434 -1.465 1.00 70.41 H new ATOM 33 N TYR A 3 5.259 -3.457 -3.879 1.00 64.02 N ATOM 34 CA TYR A 3 5.862 -3.644 -5.194 1.00 34.21 C ATOM 35 C TYR A 3 4.789 -3.797 -6.268 1.00 32.33 C ATOM 36 O TYR A 3 3.710 -4.334 -6.014 1.00 30.15 O ATOM 37 CB TYR A 3 6.774 -4.872 -5.190 1.00 11.01 C ATOM 38 CG TYR A 3 8.080 -4.658 -5.922 1.00 33.42 C ATOM 39 CD1 TYR A 3 8.109 -4.520 -7.304 1.00 62.01 C ATOM 40 CD2 TYR A 3 9.284 -4.596 -5.231 1.00 72.05 C ATOM 41 CE1 TYR A 3 9.300 -4.325 -7.977 1.00 72.53 C ATOM 42 CE2 TYR A 3 10.479 -4.400 -5.896 1.00 72.31 C ATOM 43 CZ TYR A 3 10.482 -4.266 -7.269 1.00 12.22 C ATOM 44 OH TYR A 3 11.670 -4.072 -7.935 1.00 23.13 O ATOM 0 H TYR A 3 4.398 -3.984 -3.731 1.00 64.02 H new ATOM 0 HA TYR A 3 6.456 -2.759 -5.423 1.00 34.21 H new ATOM 0 HB2 TYR A 3 6.987 -5.153 -4.159 1.00 11.01 H new ATOM 0 HB3 TYR A 3 6.245 -5.709 -5.645 1.00 11.01 H new ATOM 0 HD1 TYR A 3 7.185 -4.566 -7.862 1.00 62.01 H new ATOM 0 HD2 TYR A 3 9.286 -4.703 -4.156 1.00 72.05 H new ATOM 0 HE1 TYR A 3 9.305 -4.219 -9.052 1.00 72.53 H new ATOM 0 HE2 TYR A 3 11.406 -4.352 -5.344 1.00 72.31 H new ATOM 0 HH TYR A 3 11.932 -4.902 -8.385 1.00 23.13 H new ATOM 54 N THR A 4 5.093 -3.322 -7.471 1.00 43.43 N ATOM 55 CA THR A 4 4.157 -3.404 -8.585 1.00 70.11 C ATOM 56 C THR A 4 4.246 -4.758 -9.279 1.00 63.33 C ATOM 57 O THR A 4 5.280 -5.109 -9.846 1.00 63.31 O ATOM 58 CB THR A 4 4.415 -2.292 -9.619 1.00 54.21 C ATOM 59 OG1 THR A 4 4.296 -1.008 -8.997 1.00 54.41 O ATOM 60 CG2 THR A 4 3.434 -2.393 -10.778 1.00 0.52 C ATOM 0 H THR A 4 5.981 -2.876 -7.699 1.00 43.43 H new ATOM 0 HA THR A 4 3.158 -3.277 -8.168 1.00 70.11 H new ATOM 0 HB THR A 4 5.426 -2.415 -10.008 1.00 54.21 H new ATOM 0 HG1 THR A 4 4.463 -0.306 -9.660 1.00 54.41 H new ATOM 0 HG21 THR A 4 3.635 -1.598 -11.496 1.00 0.52 H new ATOM 0 HG22 THR A 4 3.547 -3.360 -11.267 1.00 0.52 H new ATOM 0 HG23 THR A 4 2.416 -2.293 -10.402 1.00 0.52 H new ATOM 68 N GLY A 5 3.155 -5.516 -9.232 1.00 14.13 N ATOM 69 CA GLY A 5 3.131 -6.823 -9.861 1.00 21.51 C ATOM 70 C GLY A 5 1.994 -6.969 -10.852 1.00 72.43 C ATOM 71 O GLY A 5 1.116 -6.110 -10.934 1.00 4.53 O ATOM 0 H GLY A 5 2.287 -5.248 -8.769 1.00 14.13 H new ATOM 0 HA2 GLY A 5 4.078 -6.994 -10.372 1.00 21.51 H new ATOM 0 HA3 GLY A 5 3.040 -7.591 -9.093 1.00 21.51 H new ATOM 75 N LYS A 6 2.008 -8.061 -11.610 1.00 43.44 N ATOM 76 CA LYS A 6 0.971 -8.317 -12.602 1.00 60.44 C ATOM 77 C LYS A 6 0.658 -9.808 -12.689 1.00 40.20 C ATOM 78 O LYS A 6 1.560 -10.635 -12.822 1.00 62.30 O ATOM 79 CB LYS A 6 1.408 -7.797 -13.974 1.00 12.34 C ATOM 80 CG LYS A 6 2.879 -7.426 -14.043 1.00 62.31 C ATOM 81 CD LYS A 6 3.307 -7.105 -15.465 1.00 72.14 C ATOM 82 CE LYS A 6 4.600 -6.305 -15.491 1.00 51.33 C ATOM 83 NZ LYS A 6 4.742 -5.520 -16.749 1.00 75.32 N ATOM 0 H LYS A 6 2.727 -8.783 -11.556 1.00 43.44 H new ATOM 0 HA LYS A 6 0.069 -7.791 -12.291 1.00 60.44 H new ATOM 0 HB2 LYS A 6 1.198 -8.558 -14.725 1.00 12.34 H new ATOM 0 HB3 LYS A 6 0.809 -6.923 -14.230 1.00 12.34 H new ATOM 0 HG2 LYS A 6 3.068 -6.565 -13.402 1.00 62.31 H new ATOM 0 HG3 LYS A 6 3.481 -8.249 -13.658 1.00 62.31 H new ATOM 0 HD2 LYS A 6 3.440 -8.031 -16.024 1.00 72.14 H new ATOM 0 HD3 LYS A 6 2.519 -6.541 -15.965 1.00 72.14 H new ATOM 0 HE2 LYS A 6 4.626 -5.629 -14.636 1.00 51.33 H new ATOM 0 HE3 LYS A 6 5.448 -6.982 -15.388 1.00 51.33 H new ATOM 0 HZ1 LYS A 6 5.636 -4.989 -16.728 1.00 75.32 H new ATOM 0 HZ2 LYS A 6 4.743 -6.167 -17.563 1.00 75.32 H new ATOM 0 HZ3 LYS A 6 3.946 -4.856 -16.835 1.00 75.32 H new ATOM 97 N CYS A 7 -0.625 -10.143 -12.614 1.00 75.52 N ATOM 98 CA CYS A 7 -1.058 -11.534 -12.685 1.00 51.11 C ATOM 99 C CYS A 7 -1.953 -11.764 -13.900 1.00 2.23 C ATOM 100 O CYS A 7 -2.785 -10.922 -14.241 1.00 20.51 O ATOM 101 CB CYS A 7 -1.804 -11.924 -11.407 1.00 51.54 C ATOM 102 SG CYS A 7 -3.508 -12.504 -11.689 1.00 24.32 S ATOM 0 H CYS A 7 -1.384 -9.470 -12.504 1.00 75.52 H new ATOM 0 HA CYS A 7 -0.171 -12.160 -12.785 1.00 51.11 H new ATOM 0 HB2 CYS A 7 -1.244 -12.708 -10.897 1.00 51.54 H new ATOM 0 HB3 CYS A 7 -1.830 -11.064 -10.737 1.00 51.54 H new ATOM 107 N THR A 8 -1.776 -12.910 -14.550 1.00 20.03 N ATOM 108 CA THR A 8 -2.565 -13.251 -15.726 1.00 74.23 C ATOM 109 C THR A 8 -3.638 -14.281 -15.389 1.00 42.22 C ATOM 110 O THR A 8 -3.334 -15.381 -14.927 1.00 50.13 O ATOM 111 CB THR A 8 -1.678 -13.803 -16.858 1.00 2.02 C ATOM 112 OG1 THR A 8 -2.486 -14.160 -17.985 1.00 20.14 O ATOM 113 CG2 THR A 8 -0.892 -15.017 -16.386 1.00 2.01 C ATOM 0 H THR A 8 -1.093 -13.618 -14.281 1.00 20.03 H new ATOM 0 HA THR A 8 -3.041 -12.331 -16.064 1.00 74.23 H new ATOM 0 HB THR A 8 -0.973 -13.024 -17.150 1.00 2.02 H new ATOM 0 HG1 THR A 8 -1.908 -14.372 -18.748 1.00 20.14 H new ATOM 0 HG21 THR A 8 -0.273 -15.389 -17.202 1.00 2.01 H new ATOM 0 HG22 THR A 8 -0.255 -14.735 -15.547 1.00 2.01 H new ATOM 0 HG23 THR A 8 -1.584 -15.798 -16.070 1.00 2.01 H new ATOM 121 N LYS A 9 -4.894 -13.918 -15.623 1.00 53.24 N ATOM 122 CA LYS A 9 -6.013 -14.811 -15.347 1.00 15.53 C ATOM 123 C LYS A 9 -5.827 -16.151 -16.050 1.00 62.11 C ATOM 124 O LYS A 9 -6.411 -17.159 -15.651 1.00 43.32 O ATOM 125 CB LYS A 9 -7.328 -14.167 -15.793 1.00 73.10 C ATOM 126 CG LYS A 9 -8.251 -13.807 -14.641 1.00 60.25 C ATOM 127 CD LYS A 9 -9.667 -14.302 -14.886 1.00 2.32 C ATOM 128 CE LYS A 9 -9.953 -15.578 -14.110 1.00 61.41 C ATOM 129 NZ LYS A 9 -9.725 -16.794 -14.939 1.00 60.13 N ATOM 0 H LYS A 9 -5.163 -13.011 -16.004 1.00 53.24 H new ATOM 0 HA LYS A 9 -6.048 -14.987 -14.272 1.00 15.53 H new ATOM 0 HB2 LYS A 9 -7.106 -13.266 -16.365 1.00 73.10 H new ATOM 0 HB3 LYS A 9 -7.848 -14.850 -16.464 1.00 73.10 H new ATOM 0 HG2 LYS A 9 -7.868 -14.240 -13.717 1.00 60.25 H new ATOM 0 HG3 LYS A 9 -8.261 -12.725 -14.506 1.00 60.25 H new ATOM 0 HD2 LYS A 9 -10.379 -13.530 -14.594 1.00 2.32 H new ATOM 0 HD3 LYS A 9 -9.811 -14.483 -15.951 1.00 2.32 H new ATOM 0 HE2 LYS A 9 -9.316 -15.616 -13.226 1.00 61.41 H new ATOM 0 HE3 LYS A 9 -10.985 -15.566 -13.759 1.00 61.41 H new ATOM 0 HZ1 LYS A 9 -10.074 -17.631 -14.430 1.00 60.13 H new ATOM 0 HZ2 LYS A 9 -10.234 -16.700 -15.841 1.00 60.13 H new ATOM 0 HZ3 LYS A 9 -8.708 -16.901 -15.126 1.00 60.13 H new ATOM 143 N SER A 10 -5.009 -16.156 -17.098 1.00 5.15 N ATOM 144 CA SER A 10 -4.747 -17.372 -17.858 1.00 21.54 C ATOM 145 C SER A 10 -4.133 -18.448 -16.967 1.00 5.01 C ATOM 146 O SER A 10 -4.521 -19.615 -17.024 1.00 64.02 O ATOM 147 CB SER A 10 -3.815 -17.074 -19.033 1.00 65.03 C ATOM 148 OG SER A 10 -4.042 -15.773 -19.547 1.00 5.14 O ATOM 0 H SER A 10 -4.516 -15.331 -17.440 1.00 5.15 H new ATOM 0 HA SER A 10 -5.697 -17.742 -18.243 1.00 21.54 H new ATOM 0 HB2 SER A 10 -2.778 -17.165 -18.711 1.00 65.03 H new ATOM 0 HB3 SER A 10 -3.970 -17.812 -19.820 1.00 65.03 H new ATOM 0 HG SER A 10 -3.541 -15.119 -19.016 1.00 5.14 H new ATOM 154 N LYS A 11 -3.170 -18.046 -16.143 1.00 75.31 N ATOM 155 CA LYS A 11 -2.501 -18.973 -15.238 1.00 32.10 C ATOM 156 C LYS A 11 -2.952 -18.749 -13.798 1.00 50.52 C ATOM 157 O LYS A 11 -2.707 -19.580 -12.925 1.00 13.52 O ATOM 158 CB LYS A 11 -0.983 -18.810 -15.339 1.00 61.34 C ATOM 159 CG LYS A 11 -0.305 -19.914 -16.133 1.00 5.24 C ATOM 160 CD LYS A 11 -0.042 -19.488 -17.567 1.00 63.35 C ATOM 161 CE LYS A 11 -0.568 -20.515 -18.559 1.00 13.14 C ATOM 162 NZ LYS A 11 -1.949 -20.190 -19.013 1.00 21.15 N ATOM 0 H LYS A 11 -2.836 -17.084 -16.084 1.00 75.31 H new ATOM 0 HA LYS A 11 -2.772 -19.987 -15.531 1.00 32.10 H new ATOM 0 HB2 LYS A 11 -0.759 -17.850 -15.803 1.00 61.34 H new ATOM 0 HB3 LYS A 11 -0.561 -18.784 -14.334 1.00 61.34 H new ATOM 0 HG2 LYS A 11 0.636 -20.183 -15.654 1.00 5.24 H new ATOM 0 HG3 LYS A 11 -0.932 -20.806 -16.126 1.00 5.24 H new ATOM 0 HD2 LYS A 11 -0.515 -18.524 -17.754 1.00 63.35 H new ATOM 0 HD3 LYS A 11 1.029 -19.351 -17.717 1.00 63.35 H new ATOM 0 HE2 LYS A 11 0.097 -20.561 -19.422 1.00 13.14 H new ATOM 0 HE3 LYS A 11 -0.560 -21.503 -18.098 1.00 13.14 H new ATOM 0 HZ1 LYS A 11 -2.233 -20.853 -19.762 1.00 21.15 H new ATOM 0 HZ2 LYS A 11 -2.606 -20.271 -18.211 1.00 21.15 H new ATOM 0 HZ3 LYS A 11 -1.973 -19.219 -19.384 1.00 21.15 H new ATOM 176 N ASN A 12 -3.613 -17.621 -13.559 1.00 0.51 N ATOM 177 CA ASN A 12 -4.099 -17.288 -12.225 1.00 1.33 C ATOM 178 C ASN A 12 -2.938 -17.119 -11.249 1.00 41.14 C ATOM 179 O ASN A 12 -3.017 -17.543 -10.097 1.00 4.21 O ATOM 180 CB ASN A 12 -5.050 -18.375 -11.720 1.00 1.22 C ATOM 181 CG ASN A 12 -6.387 -17.813 -11.278 1.00 34.12 C ATOM 182 OD1 ASN A 12 -6.938 -16.916 -11.917 1.00 33.54 O ATOM 183 ND2 ASN A 12 -6.916 -18.340 -10.179 1.00 51.42 N ATOM 0 H ASN A 12 -3.824 -16.922 -14.272 1.00 0.51 H new ATOM 0 HA ASN A 12 -4.638 -16.343 -12.288 1.00 1.33 H new ATOM 0 HB2 ASN A 12 -5.211 -19.109 -12.510 1.00 1.22 H new ATOM 0 HB3 ASN A 12 -4.586 -18.901 -10.885 1.00 1.22 H new ATOM 0 HD21 ASN A 12 -7.814 -18.003 -9.833 1.00 51.42 H new ATOM 0 HD22 ASN A 12 -6.424 -19.082 -9.681 1.00 51.42 H new ATOM 190 N GLU A 13 -1.862 -16.496 -11.721 1.00 20.24 N ATOM 191 CA GLU A 13 -0.685 -16.272 -10.890 1.00 0.24 C ATOM 192 C GLU A 13 -0.101 -14.884 -11.137 1.00 43.03 C ATOM 193 O GLU A 13 -0.221 -14.334 -12.232 1.00 42.34 O ATOM 194 CB GLU A 13 0.374 -17.340 -11.168 1.00 24.23 C ATOM 195 CG GLU A 13 0.991 -17.240 -12.553 1.00 1.22 C ATOM 196 CD GLU A 13 1.812 -18.462 -12.916 1.00 75.31 C ATOM 197 OE1 GLU A 13 1.863 -19.406 -12.099 1.00 40.41 O ATOM 198 OE2 GLU A 13 2.402 -18.476 -14.016 1.00 51.22 O ATOM 0 H GLU A 13 -1.781 -16.138 -12.673 1.00 20.24 H new ATOM 0 HA GLU A 13 -0.991 -16.338 -9.846 1.00 0.24 H new ATOM 0 HB2 GLU A 13 1.164 -17.259 -10.421 1.00 24.23 H new ATOM 0 HB3 GLU A 13 -0.077 -18.326 -11.051 1.00 24.23 H new ATOM 0 HG2 GLU A 13 0.199 -17.107 -13.290 1.00 1.22 H new ATOM 0 HG3 GLU A 13 1.624 -16.354 -12.601 1.00 1.22 H new ATOM 205 N CYS A 14 0.532 -14.323 -10.112 1.00 72.20 N ATOM 206 CA CYS A 14 1.134 -13.000 -10.216 1.00 3.31 C ATOM 207 C CYS A 14 2.645 -13.073 -10.015 1.00 43.25 C ATOM 208 O CYS A 14 3.137 -13.836 -9.183 1.00 54.25 O ATOM 209 CB CYS A 14 0.517 -12.053 -9.185 1.00 21.15 C ATOM 210 SG CYS A 14 0.739 -10.287 -9.570 1.00 4.40 S ATOM 0 H CYS A 14 0.641 -14.765 -9.199 1.00 72.20 H new ATOM 0 HA CYS A 14 0.936 -12.616 -11.217 1.00 3.31 H new ATOM 0 HB2 CYS A 14 -0.549 -12.265 -9.105 1.00 21.15 H new ATOM 0 HB3 CYS A 14 0.957 -12.259 -8.209 1.00 21.15 H new ATOM 215 N LYS A 15 3.378 -12.273 -10.784 1.00 34.52 N ATOM 216 CA LYS A 15 4.832 -12.245 -10.691 1.00 45.31 C ATOM 217 C LYS A 15 5.360 -10.823 -10.855 1.00 1.12 C ATOM 218 O LYS A 15 4.761 -10.005 -11.554 1.00 3.14 O ATOM 219 CB LYS A 15 5.450 -13.155 -11.755 1.00 51.13 C ATOM 220 CG LYS A 15 5.308 -12.620 -13.170 1.00 2.12 C ATOM 221 CD LYS A 15 3.898 -12.816 -13.702 1.00 24.34 C ATOM 222 CE LYS A 15 3.907 -13.455 -15.082 1.00 24.21 C ATOM 223 NZ LYS A 15 2.590 -13.323 -15.763 1.00 33.12 N ATOM 0 H LYS A 15 2.988 -11.636 -11.478 1.00 34.52 H new ATOM 0 HA LYS A 15 5.115 -12.608 -9.703 1.00 45.31 H new ATOM 0 HB2 LYS A 15 6.508 -13.294 -11.532 1.00 51.13 H new ATOM 0 HB3 LYS A 15 4.981 -14.137 -11.698 1.00 51.13 H new ATOM 0 HG2 LYS A 15 5.560 -11.560 -13.186 1.00 2.12 H new ATOM 0 HG3 LYS A 15 6.018 -13.126 -13.824 1.00 2.12 H new ATOM 0 HD2 LYS A 15 3.332 -13.443 -13.013 1.00 24.34 H new ATOM 0 HD3 LYS A 15 3.389 -11.854 -13.749 1.00 24.34 H new ATOM 0 HE2 LYS A 15 4.680 -12.989 -15.693 1.00 24.21 H new ATOM 0 HE3 LYS A 15 4.165 -14.510 -14.992 1.00 24.21 H new ATOM 0 HZ1 LYS A 15 2.637 -13.771 -16.700 1.00 33.12 H new ATOM 0 HZ2 LYS A 15 1.856 -13.790 -15.193 1.00 33.12 H new ATOM 0 HZ3 LYS A 15 2.355 -12.316 -15.872 1.00 33.12 H new ATOM 237 N TYR A 16 6.484 -10.536 -10.208 1.00 2.00 N ATOM 238 CA TYR A 16 7.092 -9.213 -10.281 1.00 53.54 C ATOM 239 C TYR A 16 8.613 -9.307 -10.217 1.00 61.10 C ATOM 240 O TYR A 16 9.170 -10.363 -9.916 1.00 34.31 O ATOM 241 CB TYR A 16 6.576 -8.328 -9.145 1.00 41.11 C ATOM 242 CG TYR A 16 6.909 -8.856 -7.768 1.00 2.41 C ATOM 243 CD1 TYR A 16 7.940 -8.300 -7.020 1.00 44.14 C ATOM 244 CD2 TYR A 16 6.194 -9.910 -7.215 1.00 31.34 C ATOM 245 CE1 TYR A 16 8.249 -8.779 -5.762 1.00 31.10 C ATOM 246 CE2 TYR A 16 6.494 -10.395 -5.956 1.00 45.04 C ATOM 247 CZ TYR A 16 7.523 -9.826 -5.234 1.00 71.32 C ATOM 248 OH TYR A 16 7.826 -10.307 -3.981 1.00 63.31 O ATOM 0 H TYR A 16 6.993 -11.202 -9.627 1.00 2.00 H new ATOM 0 HA TYR A 16 6.814 -8.766 -11.236 1.00 53.54 H new ATOM 0 HB2 TYR A 16 6.998 -7.329 -9.254 1.00 41.11 H new ATOM 0 HB3 TYR A 16 5.494 -8.229 -9.235 1.00 41.11 H new ATOM 0 HD1 TYR A 16 8.510 -7.479 -7.430 1.00 44.14 H new ATOM 0 HD2 TYR A 16 5.389 -10.359 -7.779 1.00 31.34 H new ATOM 0 HE1 TYR A 16 9.055 -8.336 -5.195 1.00 31.10 H new ATOM 0 HE2 TYR A 16 5.927 -11.214 -5.540 1.00 45.04 H new ATOM 0 HH TYR A 16 7.220 -11.044 -3.758 1.00 63.31 H new ATOM 258 N LYS A 17 9.281 -8.194 -10.502 1.00 30.32 N ATOM 259 CA LYS A 17 10.738 -8.148 -10.475 1.00 41.12 C ATOM 260 C LYS A 17 11.247 -7.828 -9.073 1.00 73.22 C ATOM 261 O LYS A 17 10.755 -6.909 -8.419 1.00 65.33 O ATOM 262 CB LYS A 17 11.254 -7.103 -11.467 1.00 13.30 C ATOM 263 CG LYS A 17 12.731 -7.248 -11.791 1.00 14.24 C ATOM 264 CD LYS A 17 12.947 -7.656 -13.238 1.00 52.22 C ATOM 265 CE LYS A 17 13.158 -6.444 -14.133 1.00 61.22 C ATOM 266 NZ LYS A 17 13.966 -6.779 -15.339 1.00 33.14 N ATOM 0 H LYS A 17 8.836 -7.312 -10.754 1.00 30.32 H new ATOM 0 HA LYS A 17 11.113 -9.130 -10.763 1.00 41.12 H new ATOM 0 HB2 LYS A 17 10.679 -7.176 -12.390 1.00 13.30 H new ATOM 0 HB3 LYS A 17 11.076 -6.108 -11.059 1.00 13.30 H new ATOM 0 HG2 LYS A 17 13.241 -6.304 -11.598 1.00 14.24 H new ATOM 0 HG3 LYS A 17 13.178 -7.992 -11.132 1.00 14.24 H new ATOM 0 HD2 LYS A 17 13.813 -8.315 -13.306 1.00 52.22 H new ATOM 0 HD3 LYS A 17 12.086 -8.224 -13.590 1.00 52.22 H new ATOM 0 HE2 LYS A 17 12.191 -6.048 -14.442 1.00 61.22 H new ATOM 0 HE3 LYS A 17 13.658 -5.658 -13.568 1.00 61.22 H new ATOM 0 HZ1 LYS A 17 14.087 -5.927 -15.923 1.00 33.14 H new ATOM 0 HZ2 LYS A 17 14.899 -7.133 -15.045 1.00 33.14 H new ATOM 0 HZ3 LYS A 17 13.477 -7.511 -15.892 1.00 33.14 H new ATOM 280 N ASN A 18 12.235 -8.592 -8.619 1.00 32.14 N ATOM 281 CA ASN A 18 12.811 -8.389 -7.294 1.00 54.01 C ATOM 282 C ASN A 18 14.285 -8.010 -7.394 1.00 62.32 C ATOM 283 O ASN A 18 14.854 -7.973 -8.485 1.00 25.40 O ATOM 284 CB ASN A 18 12.654 -9.654 -6.448 1.00 14.35 C ATOM 285 CG ASN A 18 12.790 -10.921 -7.270 1.00 4.42 C ATOM 286 OD1 ASN A 18 11.903 -11.267 -8.049 1.00 53.22 O ATOM 287 ND2 ASN A 18 13.907 -11.619 -7.099 1.00 32.13 N ATOM 0 H ASN A 18 12.653 -9.357 -9.148 1.00 32.14 H new ATOM 0 HA ASN A 18 12.276 -7.570 -6.814 1.00 54.01 H new ATOM 0 HB2 ASN A 18 13.405 -9.655 -5.658 1.00 14.35 H new ATOM 0 HB3 ASN A 18 11.679 -9.643 -5.961 1.00 14.35 H new ATOM 0 HD21 ASN A 18 14.056 -12.480 -7.625 1.00 32.13 H new ATOM 0 HD22 ASN A 18 14.616 -11.294 -6.442 1.00 32.13 H new ATOM 294 N SER A 19 14.898 -7.730 -6.248 1.00 73.33 N ATOM 295 CA SER A 19 16.305 -7.351 -6.207 1.00 22.44 C ATOM 296 C SER A 19 17.194 -8.512 -6.643 1.00 75.41 C ATOM 297 O SER A 19 18.212 -8.314 -7.305 1.00 74.44 O ATOM 298 CB SER A 19 16.692 -6.900 -4.797 1.00 22.21 C ATOM 299 OG SER A 19 17.170 -5.566 -4.802 1.00 14.05 O ATOM 0 H SER A 19 14.442 -7.759 -5.336 1.00 73.33 H new ATOM 0 HA SER A 19 16.453 -6.523 -6.900 1.00 22.44 H new ATOM 0 HB2 SER A 19 15.828 -6.978 -4.137 1.00 22.21 H new ATOM 0 HB3 SER A 19 17.459 -7.563 -4.397 1.00 22.21 H new ATOM 0 HG SER A 19 17.409 -5.301 -3.889 1.00 14.05 H new ATOM 305 N ALA A 20 16.800 -9.725 -6.266 1.00 53.54 N ATOM 306 CA ALA A 20 17.558 -10.918 -6.620 1.00 31.22 C ATOM 307 C ALA A 20 17.637 -11.091 -8.133 1.00 14.41 C ATOM 308 O ALA A 20 18.600 -11.651 -8.654 1.00 73.13 O ATOM 309 CB ALA A 20 16.934 -12.149 -5.978 1.00 42.21 C ATOM 0 H ALA A 20 15.961 -9.906 -5.716 1.00 53.54 H new ATOM 0 HA ALA A 20 18.573 -10.798 -6.242 1.00 31.22 H new ATOM 0 HB1 ALA A 20 17.510 -13.033 -6.251 1.00 42.21 H new ATOM 0 HB2 ALA A 20 16.936 -12.035 -4.894 1.00 42.21 H new ATOM 0 HB3 ALA A 20 15.908 -12.262 -6.329 1.00 42.21 H new ATOM 315 N GLY A 21 16.616 -10.605 -8.833 1.00 71.33 N ATOM 316 CA GLY A 21 16.589 -10.717 -10.280 1.00 2.31 C ATOM 317 C GLY A 21 15.876 -11.968 -10.752 1.00 71.10 C ATOM 318 O GLY A 21 15.480 -12.066 -11.914 1.00 0.22 O ATOM 0 H GLY A 21 15.808 -10.136 -8.424 1.00 71.33 H new ATOM 0 HA2 GLY A 21 16.095 -9.841 -10.700 1.00 2.31 H new ATOM 0 HA3 GLY A 21 17.611 -10.720 -10.660 1.00 2.31 H new ATOM 322 N LYS A 22 15.712 -12.930 -9.850 1.00 1.21 N ATOM 323 CA LYS A 22 15.042 -14.182 -10.179 1.00 62.31 C ATOM 324 C LYS A 22 13.529 -13.995 -10.224 1.00 41.42 C ATOM 325 O LYS A 22 12.899 -13.711 -9.205 1.00 52.24 O ATOM 326 CB LYS A 22 15.403 -15.262 -9.156 1.00 14.42 C ATOM 327 CG LYS A 22 16.239 -16.391 -9.732 1.00 32.20 C ATOM 328 CD LYS A 22 16.063 -17.676 -8.939 1.00 51.53 C ATOM 329 CE LYS A 22 17.094 -17.790 -7.827 1.00 44.13 C ATOM 330 NZ LYS A 22 18.463 -18.028 -8.363 1.00 4.30 N ATOM 0 H LYS A 22 16.034 -12.866 -8.884 1.00 1.21 H new ATOM 0 HA LYS A 22 15.381 -14.497 -11.166 1.00 62.31 H new ATOM 0 HB2 LYS A 22 15.948 -14.802 -8.332 1.00 14.42 H new ATOM 0 HB3 LYS A 22 14.485 -15.677 -8.739 1.00 14.42 H new ATOM 0 HG2 LYS A 22 15.956 -16.562 -10.771 1.00 32.20 H new ATOM 0 HG3 LYS A 22 17.290 -16.103 -9.732 1.00 32.20 H new ATOM 0 HD2 LYS A 22 15.061 -17.707 -8.512 1.00 51.53 H new ATOM 0 HD3 LYS A 22 16.151 -18.532 -9.608 1.00 51.53 H new ATOM 0 HE2 LYS A 22 17.090 -16.876 -7.233 1.00 44.13 H new ATOM 0 HE3 LYS A 22 16.819 -18.606 -7.159 1.00 44.13 H new ATOM 0 HZ1 LYS A 22 19.059 -18.446 -7.620 1.00 4.30 H new ATOM 0 HZ2 LYS A 22 18.411 -18.680 -9.172 1.00 4.30 H new ATOM 0 HZ3 LYS A 22 18.877 -17.125 -8.672 1.00 4.30 H new ATOM 344 N ASP A 23 12.953 -14.156 -11.410 1.00 73.10 N ATOM 345 CA ASP A 23 11.513 -14.007 -11.587 1.00 11.10 C ATOM 346 C ASP A 23 10.750 -14.903 -10.616 1.00 43.00 C ATOM 347 O ASP A 23 10.995 -16.108 -10.542 1.00 43.41 O ATOM 348 CB ASP A 23 11.117 -14.340 -13.026 1.00 61.22 C ATOM 349 CG ASP A 23 11.841 -15.562 -13.557 1.00 53.15 C ATOM 350 OD1 ASP A 23 11.425 -16.691 -13.221 1.00 43.13 O ATOM 351 OD2 ASP A 23 12.822 -15.389 -14.310 1.00 71.21 O ATOM 0 H ASP A 23 13.461 -14.390 -12.263 1.00 73.10 H new ATOM 0 HA ASP A 23 11.252 -12.970 -11.377 1.00 11.10 H new ATOM 0 HB2 ASP A 23 10.041 -14.509 -13.074 1.00 61.22 H new ATOM 0 HB3 ASP A 23 11.334 -13.485 -13.667 1.00 61.22 H new ATOM 356 N THR A 24 9.824 -14.307 -9.871 1.00 5.10 N ATOM 357 CA THR A 24 9.028 -15.050 -8.903 1.00 13.11 C ATOM 358 C THR A 24 7.541 -14.954 -9.225 1.00 52.32 C ATOM 359 O THR A 24 6.998 -13.859 -9.379 1.00 63.35 O ATOM 360 CB THR A 24 9.265 -14.538 -7.469 1.00 73.35 C ATOM 361 OG1 THR A 24 8.476 -15.294 -6.543 1.00 44.11 O ATOM 362 CG2 THR A 24 8.913 -13.063 -7.356 1.00 44.55 C ATOM 0 H THR A 24 9.607 -13.312 -9.920 1.00 5.10 H new ATOM 0 HA THR A 24 9.345 -16.091 -8.966 1.00 13.11 H new ATOM 0 HB THR A 24 10.322 -14.662 -7.232 1.00 73.35 H new ATOM 0 HG1 THR A 24 8.633 -14.964 -5.634 1.00 44.11 H new ATOM 0 HG21 THR A 24 9.088 -12.724 -6.335 1.00 44.55 H new ATOM 0 HG22 THR A 24 9.535 -12.487 -8.041 1.00 44.55 H new ATOM 0 HG23 THR A 24 7.863 -12.919 -7.611 1.00 44.55 H new ATOM 370 N PHE A 25 6.886 -16.106 -9.325 1.00 41.22 N ATOM 371 CA PHE A 25 5.461 -16.151 -9.630 1.00 33.24 C ATOM 372 C PHE A 25 4.727 -17.074 -8.661 1.00 71.43 C ATOM 373 O PHE A 25 5.287 -18.061 -8.183 1.00 4.25 O ATOM 374 CB PHE A 25 5.240 -16.623 -11.068 1.00 54.13 C ATOM 375 CG PHE A 25 5.732 -18.019 -11.324 1.00 1.41 C ATOM 376 CD1 PHE A 25 4.958 -19.115 -10.979 1.00 2.34 C ATOM 377 CD2 PHE A 25 6.969 -18.234 -11.909 1.00 64.51 C ATOM 378 CE1 PHE A 25 5.408 -20.400 -11.213 1.00 23.52 C ATOM 379 CE2 PHE A 25 7.425 -19.518 -12.146 1.00 55.31 C ATOM 380 CZ PHE A 25 6.644 -20.602 -11.796 1.00 74.14 C ATOM 0 H PHE A 25 7.319 -17.021 -9.199 1.00 41.22 H new ATOM 0 HA PHE A 25 5.059 -15.144 -9.520 1.00 33.24 H new ATOM 0 HB2 PHE A 25 4.176 -16.574 -11.298 1.00 54.13 H new ATOM 0 HB3 PHE A 25 5.746 -15.938 -11.748 1.00 54.13 H new ATOM 0 HD1 PHE A 25 3.991 -18.963 -10.522 1.00 2.34 H new ATOM 0 HD2 PHE A 25 7.584 -17.390 -12.183 1.00 64.51 H new ATOM 0 HE1 PHE A 25 4.794 -21.246 -10.940 1.00 23.52 H new ATOM 0 HE2 PHE A 25 8.391 -19.673 -12.604 1.00 55.31 H new ATOM 0 HZ PHE A 25 6.999 -21.606 -11.978 1.00 74.14 H new ATOM 390 N ILE A 26 3.471 -16.746 -8.378 1.00 20.45 N ATOM 391 CA ILE A 26 2.660 -17.546 -7.467 1.00 43.33 C ATOM 392 C ILE A 26 1.212 -17.618 -7.940 1.00 43.11 C ATOM 393 O ILE A 26 0.582 -16.594 -8.206 1.00 63.01 O ATOM 394 CB ILE A 26 2.694 -16.977 -6.037 1.00 14.35 C ATOM 395 CG1 ILE A 26 1.874 -17.860 -5.094 1.00 30.22 C ATOM 396 CG2 ILE A 26 2.170 -15.548 -6.022 1.00 74.52 C ATOM 397 CD1 ILE A 26 2.406 -19.271 -4.973 1.00 75.22 C ATOM 0 H ILE A 26 2.993 -15.933 -8.766 1.00 20.45 H new ATOM 0 HA ILE A 26 3.088 -18.549 -7.460 1.00 43.33 H new ATOM 0 HB ILE A 26 3.727 -16.968 -5.690 1.00 14.35 H new ATOM 0 HG12 ILE A 26 1.854 -17.402 -4.105 1.00 30.22 H new ATOM 0 HG13 ILE A 26 0.844 -17.898 -5.448 1.00 30.22 H new ATOM 0 HG21 ILE A 26 2.200 -15.160 -5.004 1.00 74.52 H new ATOM 0 HG22 ILE A 26 2.791 -14.926 -6.666 1.00 74.52 H new ATOM 0 HG23 ILE A 26 1.142 -15.533 -6.385 1.00 74.52 H new ATOM 0 HD11 ILE A 26 1.776 -19.840 -4.289 1.00 75.22 H new ATOM 0 HD12 ILE A 26 2.400 -19.747 -5.953 1.00 75.22 H new ATOM 0 HD13 ILE A 26 3.426 -19.244 -4.589 1.00 75.22 H new ATOM 409 N LYS A 27 0.689 -18.835 -8.041 1.00 53.11 N ATOM 410 CA LYS A 27 -0.687 -19.043 -8.479 1.00 4.35 C ATOM 411 C LYS A 27 -1.646 -19.004 -7.293 1.00 72.34 C ATOM 412 O LYS A 27 -1.298 -19.414 -6.186 1.00 23.22 O ATOM 413 CB LYS A 27 -0.814 -20.382 -9.209 1.00 14.44 C ATOM 414 CG LYS A 27 -0.643 -21.588 -8.302 1.00 2.23 C ATOM 415 CD LYS A 27 0.048 -22.733 -9.022 1.00 25.31 C ATOM 416 CE LYS A 27 1.528 -22.449 -9.230 1.00 50.34 C ATOM 417 NZ LYS A 27 2.383 -23.556 -8.721 1.00 21.22 N ATOM 0 H LYS A 27 1.197 -19.693 -7.826 1.00 53.11 H new ATOM 0 HA LYS A 27 -0.951 -18.237 -9.164 1.00 4.35 H new ATOM 0 HB2 LYS A 27 -1.792 -20.434 -9.688 1.00 14.44 H new ATOM 0 HB3 LYS A 27 -0.068 -20.426 -10.002 1.00 14.44 H new ATOM 0 HG2 LYS A 27 -0.062 -21.305 -7.425 1.00 2.23 H new ATOM 0 HG3 LYS A 27 -1.619 -21.917 -7.945 1.00 2.23 H new ATOM 0 HD2 LYS A 27 -0.070 -23.651 -8.446 1.00 25.31 H new ATOM 0 HD3 LYS A 27 -0.431 -22.899 -9.987 1.00 25.31 H new ATOM 0 HE2 LYS A 27 1.723 -22.299 -10.292 1.00 50.34 H new ATOM 0 HE3 LYS A 27 1.794 -21.522 -8.723 1.00 50.34 H new ATOM 0 HZ1 LYS A 27 3.384 -23.324 -8.882 1.00 21.22 H new ATOM 0 HZ2 LYS A 27 2.216 -23.683 -7.702 1.00 21.22 H new ATOM 0 HZ3 LYS A 27 2.147 -24.436 -9.223 1.00 21.22 H new ATOM 431 N CYS A 28 -2.856 -18.511 -7.534 1.00 13.24 N ATOM 432 CA CYS A 28 -3.867 -18.420 -6.487 1.00 51.31 C ATOM 433 C CYS A 28 -5.088 -19.267 -6.835 1.00 1.23 C ATOM 434 O CYS A 28 -5.464 -19.410 -7.998 1.00 54.21 O ATOM 435 CB CYS A 28 -4.286 -16.963 -6.279 1.00 20.01 C ATOM 436 SG CYS A 28 -2.897 -15.784 -6.266 1.00 61.52 S ATOM 0 H CYS A 28 -3.161 -18.168 -8.445 1.00 13.24 H new ATOM 0 HA CYS A 28 -3.433 -18.802 -5.563 1.00 51.31 H new ATOM 0 HB2 CYS A 28 -4.981 -16.680 -7.069 1.00 20.01 H new ATOM 0 HB3 CYS A 28 -4.826 -16.883 -5.335 1.00 20.01 H new ATOM 441 N PRO A 29 -5.722 -19.842 -5.802 1.00 70.33 N ATOM 442 CA PRO A 29 -6.910 -20.684 -5.973 1.00 21.22 C ATOM 443 C PRO A 29 -8.133 -19.881 -6.403 1.00 63.11 C ATOM 444 O PRO A 29 -8.012 -18.745 -6.862 1.00 14.11 O ATOM 445 CB PRO A 29 -7.125 -21.281 -4.580 1.00 1.55 C ATOM 446 CG PRO A 29 -6.498 -20.302 -3.648 1.00 3.13 C ATOM 447 CD PRO A 29 -5.329 -19.715 -4.389 1.00 45.11 C ATOM 0 HA PRO A 29 -6.771 -21.431 -6.755 1.00 21.22 H new ATOM 0 HB2 PRO A 29 -8.186 -21.410 -4.364 1.00 1.55 H new ATOM 0 HB3 PRO A 29 -6.660 -22.263 -4.494 1.00 1.55 H new ATOM 0 HG2 PRO A 29 -7.208 -19.526 -3.362 1.00 3.13 H new ATOM 0 HG3 PRO A 29 -6.172 -20.791 -2.730 1.00 3.13 H new ATOM 0 HD2 PRO A 29 -5.159 -18.675 -4.111 1.00 45.11 H new ATOM 0 HD3 PRO A 29 -4.407 -20.256 -4.178 1.00 45.11 H new ATOM 455 N LYS A 30 -9.310 -20.478 -6.252 1.00 30.22 N ATOM 456 CA LYS A 30 -10.556 -19.818 -6.623 1.00 32.52 C ATOM 457 C LYS A 30 -11.341 -19.401 -5.383 1.00 42.22 C ATOM 458 O LYS A 30 -12.507 -19.016 -5.475 1.00 22.24 O ATOM 459 CB LYS A 30 -11.410 -20.746 -7.491 1.00 25.12 C ATOM 460 CG LYS A 30 -10.746 -21.133 -8.801 1.00 73.52 C ATOM 461 CD LYS A 30 -11.752 -21.194 -9.939 1.00 20.14 C ATOM 462 CE LYS A 30 -12.063 -19.808 -10.482 1.00 13.01 C ATOM 463 NZ LYS A 30 -10.853 -19.149 -11.046 1.00 11.41 N ATOM 0 H LYS A 30 -9.427 -21.418 -5.875 1.00 30.22 H new ATOM 0 HA LYS A 30 -10.308 -18.923 -7.193 1.00 32.52 H new ATOM 0 HB2 LYS A 30 -11.637 -21.651 -6.927 1.00 25.12 H new ATOM 0 HB3 LYS A 30 -12.360 -20.257 -7.705 1.00 25.12 H new ATOM 0 HG2 LYS A 30 -9.966 -20.411 -9.042 1.00 73.52 H new ATOM 0 HG3 LYS A 30 -10.260 -22.102 -8.691 1.00 73.52 H new ATOM 0 HD2 LYS A 30 -11.359 -21.820 -10.740 1.00 20.14 H new ATOM 0 HD3 LYS A 30 -12.671 -21.664 -9.589 1.00 20.14 H new ATOM 0 HE2 LYS A 30 -12.828 -19.884 -11.254 1.00 13.01 H new ATOM 0 HE3 LYS A 30 -12.475 -19.190 -9.685 1.00 13.01 H new ATOM 0 HZ1 LYS A 30 -11.141 -18.433 -11.743 1.00 11.41 H new ATOM 0 HZ2 LYS A 30 -10.318 -18.692 -10.280 1.00 11.41 H new ATOM 0 HZ3 LYS A 30 -10.254 -19.862 -11.509 1.00 11.41 H new ATOM 477 N PHE A 31 -10.693 -19.478 -4.225 1.00 54.41 N ATOM 478 CA PHE A 31 -11.331 -19.107 -2.967 1.00 2.10 C ATOM 479 C PHE A 31 -11.189 -17.610 -2.706 1.00 33.10 C ATOM 480 O PHE A 31 -10.499 -16.904 -3.440 1.00 44.44 O ATOM 481 CB PHE A 31 -10.720 -19.898 -1.809 1.00 24.03 C ATOM 482 CG PHE A 31 -11.727 -20.333 -0.783 1.00 25.04 C ATOM 483 CD1 PHE A 31 -12.829 -21.087 -1.151 1.00 12.21 C ATOM 484 CD2 PHE A 31 -11.571 -19.988 0.550 1.00 4.42 C ATOM 485 CE1 PHE A 31 -13.758 -21.489 -0.209 1.00 65.11 C ATOM 486 CE2 PHE A 31 -12.495 -20.387 1.496 1.00 34.43 C ATOM 487 CZ PHE A 31 -13.591 -21.138 1.116 1.00 2.01 C ATOM 0 H PHE A 31 -9.728 -19.794 -4.132 1.00 54.41 H new ATOM 0 HA PHE A 31 -12.392 -19.346 -3.042 1.00 2.10 H new ATOM 0 HB2 PHE A 31 -10.215 -20.778 -2.207 1.00 24.03 H new ATOM 0 HB3 PHE A 31 -9.959 -19.287 -1.323 1.00 24.03 H new ATOM 0 HD1 PHE A 31 -12.964 -21.364 -2.186 1.00 12.21 H new ATOM 0 HD2 PHE A 31 -10.717 -19.400 0.853 1.00 4.42 H new ATOM 0 HE1 PHE A 31 -14.613 -22.077 -0.509 1.00 65.11 H new ATOM 0 HE2 PHE A 31 -12.361 -20.112 2.532 1.00 34.43 H new ATOM 0 HZ PHE A 31 -14.315 -21.450 1.854 1.00 2.01 H new ATOM 497 N ASP A 32 -11.849 -17.134 -1.656 1.00 21.13 N ATOM 498 CA ASP A 32 -11.797 -15.722 -1.296 1.00 52.33 C ATOM 499 C ASP A 32 -10.363 -15.284 -1.016 1.00 62.42 C ATOM 500 O ASP A 32 -9.507 -16.104 -0.687 1.00 63.44 O ATOM 501 CB ASP A 32 -12.674 -15.453 -0.072 1.00 42.43 C ATOM 502 CG ASP A 32 -12.127 -16.099 1.185 1.00 21.40 C ATOM 503 OD1 ASP A 32 -11.133 -15.581 1.735 1.00 1.44 O ATOM 504 OD2 ASP A 32 -12.693 -17.124 1.619 1.00 14.12 O ATOM 0 H ASP A 32 -12.426 -17.705 -1.039 1.00 21.13 H new ATOM 0 HA ASP A 32 -12.176 -15.144 -2.139 1.00 52.33 H new ATOM 0 HB2 ASP A 32 -12.757 -14.377 0.082 1.00 42.43 H new ATOM 0 HB3 ASP A 32 -13.680 -15.827 -0.261 1.00 42.43 H new ATOM 509 N ASN A 33 -10.108 -13.987 -1.150 1.00 53.21 N ATOM 510 CA ASN A 33 -8.777 -13.441 -0.913 1.00 0.40 C ATOM 511 C ASN A 33 -7.730 -14.183 -1.738 1.00 2.41 C ATOM 512 O ASN A 33 -6.545 -14.183 -1.403 1.00 31.24 O ATOM 513 CB ASN A 33 -8.425 -13.526 0.574 1.00 54.33 C ATOM 514 CG ASN A 33 -7.167 -12.752 0.915 1.00 24.13 C ATOM 515 OD1 ASN A 33 -6.602 -12.059 0.069 1.00 23.01 O ATOM 516 ND2 ASN A 33 -6.721 -12.868 2.161 1.00 50.21 N ATOM 0 H ASN A 33 -10.806 -13.294 -1.422 1.00 53.21 H new ATOM 0 HA ASN A 33 -8.781 -12.395 -1.219 1.00 0.40 H new ATOM 0 HB2 ASN A 33 -9.257 -13.141 1.164 1.00 54.33 H new ATOM 0 HB3 ASN A 33 -8.293 -14.571 0.854 1.00 54.33 H new ATOM 0 HD21 ASN A 33 -5.878 -12.371 2.449 1.00 50.21 H new ATOM 0 HD22 ASN A 33 -7.222 -13.454 2.829 1.00 50.21 H new ATOM 523 N LYS A 34 -8.175 -14.813 -2.819 1.00 63.43 N ATOM 524 CA LYS A 34 -7.277 -15.558 -3.695 1.00 34.13 C ATOM 525 C LYS A 34 -7.758 -15.502 -5.141 1.00 41.03 C ATOM 526 O LYS A 34 -7.590 -16.457 -5.900 1.00 45.10 O ATOM 527 CB LYS A 34 -7.177 -17.015 -3.236 1.00 5.41 C ATOM 528 CG LYS A 34 -6.179 -17.230 -2.111 1.00 62.31 C ATOM 529 CD LYS A 34 -6.864 -17.259 -0.755 1.00 74.24 C ATOM 530 CE LYS A 34 -5.974 -17.887 0.306 1.00 74.40 C ATOM 531 NZ LYS A 34 -6.050 -17.153 1.599 1.00 0.31 N ATOM 0 H LYS A 34 -9.152 -14.823 -3.110 1.00 63.43 H new ATOM 0 HA LYS A 34 -6.291 -15.097 -3.640 1.00 34.13 H new ATOM 0 HB2 LYS A 34 -8.160 -17.352 -2.908 1.00 5.41 H new ATOM 0 HB3 LYS A 34 -6.894 -17.636 -4.086 1.00 5.41 H new ATOM 0 HG2 LYS A 34 -5.646 -18.167 -2.270 1.00 62.31 H new ATOM 0 HG3 LYS A 34 -5.435 -16.434 -2.127 1.00 62.31 H new ATOM 0 HD2 LYS A 34 -7.126 -16.244 -0.457 1.00 74.24 H new ATOM 0 HD3 LYS A 34 -7.795 -17.820 -0.829 1.00 74.24 H new ATOM 0 HE2 LYS A 34 -6.269 -18.925 0.460 1.00 74.40 H new ATOM 0 HE3 LYS A 34 -4.942 -17.898 -0.045 1.00 74.40 H new ATOM 0 HZ1 LYS A 34 -5.429 -17.612 2.296 1.00 0.31 H new ATOM 0 HZ2 LYS A 34 -5.744 -16.169 1.458 1.00 0.31 H new ATOM 0 HZ3 LYS A 34 -7.030 -17.164 1.948 1.00 0.31 H new ATOM 545 N LYS A 35 -8.356 -14.377 -5.518 1.00 42.20 N ATOM 546 CA LYS A 35 -8.859 -14.194 -6.874 1.00 45.04 C ATOM 547 C LYS A 35 -7.795 -13.566 -7.769 1.00 4.20 C ATOM 548 O LYS A 35 -6.925 -12.834 -7.296 1.00 45.11 O ATOM 549 CB LYS A 35 -10.112 -13.317 -6.862 1.00 13.42 C ATOM 550 CG LYS A 35 -9.813 -11.828 -6.821 1.00 64.15 C ATOM 551 CD LYS A 35 -11.088 -11.004 -6.758 1.00 23.15 C ATOM 552 CE LYS A 35 -11.509 -10.739 -5.320 1.00 65.11 C ATOM 553 NZ LYS A 35 -11.939 -9.328 -5.119 1.00 43.44 N ATOM 0 H LYS A 35 -8.504 -13.577 -4.902 1.00 42.20 H new ATOM 0 HA LYS A 35 -9.114 -15.175 -7.275 1.00 45.04 H new ATOM 0 HB2 LYS A 35 -10.706 -13.535 -7.749 1.00 13.42 H new ATOM 0 HB3 LYS A 35 -10.721 -13.581 -5.997 1.00 13.42 H new ATOM 0 HG2 LYS A 35 -9.191 -11.605 -5.954 1.00 64.15 H new ATOM 0 HG3 LYS A 35 -9.240 -11.547 -7.705 1.00 64.15 H new ATOM 0 HD2 LYS A 35 -10.936 -10.056 -7.274 1.00 23.15 H new ATOM 0 HD3 LYS A 35 -11.888 -11.528 -7.282 1.00 23.15 H new ATOM 0 HE2 LYS A 35 -12.326 -11.409 -5.051 1.00 65.11 H new ATOM 0 HE3 LYS A 35 -10.678 -10.964 -4.651 1.00 65.11 H new ATOM 0 HZ1 LYS A 35 -12.218 -9.188 -4.127 1.00 43.44 H new ATOM 0 HZ2 LYS A 35 -11.152 -8.689 -5.351 1.00 43.44 H new ATOM 0 HZ3 LYS A 35 -12.748 -9.120 -5.739 1.00 43.44 H new ATOM 567 N CYS A 36 -7.871 -13.855 -9.064 1.00 24.03 N ATOM 568 CA CYS A 36 -6.915 -13.318 -10.025 1.00 73.11 C ATOM 569 C CYS A 36 -7.631 -12.543 -11.128 1.00 4.22 C ATOM 570 O CYS A 36 -8.609 -13.020 -11.704 1.00 41.11 O ATOM 571 CB CYS A 36 -6.086 -14.449 -10.637 1.00 43.51 C ATOM 572 SG CYS A 36 -4.319 -14.051 -10.836 1.00 52.45 S ATOM 0 H CYS A 36 -8.585 -14.458 -9.472 1.00 24.03 H new ATOM 0 HA CYS A 36 -6.251 -12.634 -9.497 1.00 73.11 H new ATOM 0 HB2 CYS A 36 -6.180 -15.335 -10.009 1.00 43.51 H new ATOM 0 HB3 CYS A 36 -6.502 -14.704 -11.612 1.00 43.51 H new ATOM 577 N THR A 37 -7.136 -11.343 -11.417 1.00 64.31 N ATOM 578 CA THR A 37 -7.727 -10.501 -12.449 1.00 63.12 C ATOM 579 C THR A 37 -6.657 -9.935 -13.376 1.00 72.34 C ATOM 580 O THR A 37 -5.503 -10.362 -13.344 1.00 20.52 O ATOM 581 CB THR A 37 -8.526 -9.336 -11.834 1.00 64.45 C ATOM 582 OG1 THR A 37 -7.637 -8.427 -11.175 1.00 73.13 O ATOM 583 CG2 THR A 37 -9.559 -9.852 -10.844 1.00 25.02 C ATOM 0 H THR A 37 -6.327 -10.933 -10.950 1.00 64.31 H new ATOM 0 HA THR A 37 -8.404 -11.133 -13.023 1.00 63.12 H new ATOM 0 HB THR A 37 -9.046 -8.816 -12.638 1.00 64.45 H new ATOM 0 HG1 THR A 37 -7.968 -8.244 -10.271 1.00 73.13 H new ATOM 0 HG21 THR A 37 -10.111 -9.012 -10.423 1.00 25.02 H new ATOM 0 HG22 THR A 37 -10.251 -10.521 -11.356 1.00 25.02 H new ATOM 0 HG23 THR A 37 -9.056 -10.394 -10.043 1.00 25.02 H new ATOM 591 N LYS A 38 -7.047 -8.971 -14.203 1.00 14.21 N ATOM 592 CA LYS A 38 -6.122 -8.344 -15.139 1.00 1.21 C ATOM 593 C LYS A 38 -4.823 -7.953 -14.441 1.00 31.43 C ATOM 594 O LYS A 38 -4.837 -7.248 -13.432 1.00 34.23 O ATOM 595 CB LYS A 38 -6.764 -7.108 -15.772 1.00 53.43 C ATOM 596 CG LYS A 38 -6.928 -7.212 -17.279 1.00 0.42 C ATOM 597 CD LYS A 38 -8.006 -6.270 -17.789 1.00 1.01 C ATOM 598 CE LYS A 38 -9.313 -7.005 -18.043 1.00 12.31 C ATOM 599 NZ LYS A 38 -10.435 -6.431 -17.250 1.00 13.43 N ATOM 0 H LYS A 38 -7.999 -8.607 -14.244 1.00 14.21 H new ATOM 0 HA LYS A 38 -5.891 -9.067 -15.921 1.00 1.21 H new ATOM 0 HB2 LYS A 38 -7.742 -6.944 -15.319 1.00 53.43 H new ATOM 0 HB3 LYS A 38 -6.155 -6.234 -15.541 1.00 53.43 H new ATOM 0 HG2 LYS A 38 -5.981 -6.980 -17.766 1.00 0.42 H new ATOM 0 HG3 LYS A 38 -7.182 -8.237 -17.548 1.00 0.42 H new ATOM 0 HD2 LYS A 38 -8.170 -5.475 -17.062 1.00 1.01 H new ATOM 0 HD3 LYS A 38 -7.669 -5.795 -18.710 1.00 1.01 H new ATOM 0 HE2 LYS A 38 -9.556 -6.957 -19.104 1.00 12.31 H new ATOM 0 HE3 LYS A 38 -9.192 -8.059 -17.791 1.00 12.31 H new ATOM 0 HZ1 LYS A 38 -11.308 -6.959 -17.451 1.00 13.43 H new ATOM 0 HZ2 LYS A 38 -10.214 -6.500 -16.236 1.00 13.43 H new ATOM 0 HZ3 LYS A 38 -10.567 -5.432 -17.508 1.00 13.43 H new ATOM 613 N ASP A 39 -3.703 -8.415 -14.985 1.00 24.02 N ATOM 614 CA ASP A 39 -2.395 -8.112 -14.415 1.00 43.24 C ATOM 615 C ASP A 39 -2.246 -6.615 -14.162 1.00 13.13 C ATOM 616 O ASP A 39 -1.818 -6.197 -13.087 1.00 30.12 O ATOM 617 CB ASP A 39 -1.284 -8.596 -15.348 1.00 62.14 C ATOM 618 CG ASP A 39 -1.795 -8.916 -16.739 1.00 64.34 C ATOM 619 OD1 ASP A 39 -1.623 -10.071 -17.184 1.00 4.11 O ATOM 620 OD2 ASP A 39 -2.367 -8.013 -17.383 1.00 52.33 O ATOM 0 H ASP A 39 -3.674 -9.001 -15.820 1.00 24.02 H new ATOM 0 HA ASP A 39 -2.312 -8.634 -13.462 1.00 43.24 H new ATOM 0 HB2 ASP A 39 -0.511 -7.831 -15.415 1.00 62.14 H new ATOM 0 HB3 ASP A 39 -0.817 -9.484 -14.922 1.00 62.14 H new ATOM 625 N ASN A 40 -2.603 -5.813 -15.160 1.00 4.54 N ATOM 626 CA ASN A 40 -2.507 -4.362 -15.045 1.00 54.31 C ATOM 627 C ASN A 40 -3.664 -3.804 -14.221 1.00 23.25 C ATOM 628 O ASN A 40 -3.673 -2.627 -13.863 1.00 32.21 O ATOM 629 CB ASN A 40 -2.500 -3.719 -16.434 1.00 30.14 C ATOM 630 CG ASN A 40 -1.148 -3.826 -17.113 1.00 13.43 C ATOM 631 OD1 ASN A 40 -0.710 -2.900 -17.796 1.00 60.22 O ATOM 632 ND2 ASN A 40 -0.481 -4.958 -16.927 1.00 62.51 N ATOM 0 H ASN A 40 -2.961 -6.143 -16.056 1.00 4.54 H new ATOM 0 HA ASN A 40 -1.573 -4.124 -14.536 1.00 54.31 H new ATOM 0 HB2 ASN A 40 -3.255 -4.198 -17.057 1.00 30.14 H new ATOM 0 HB3 ASN A 40 -2.778 -2.669 -16.347 1.00 30.14 H new ATOM 0 HD21 ASN A 40 0.434 -5.087 -17.358 1.00 62.51 H new ATOM 0 HD22 ASN A 40 -0.883 -5.699 -16.353 1.00 62.51 H new ATOM 639 N ASN A 41 -4.637 -4.659 -13.922 1.00 43.01 N ATOM 640 CA ASN A 41 -5.798 -4.252 -13.140 1.00 31.15 C ATOM 641 C ASN A 41 -5.371 -3.648 -11.805 1.00 64.32 C ATOM 642 O ASN A 41 -5.258 -2.430 -11.670 1.00 0.22 O ATOM 643 CB ASN A 41 -6.721 -5.448 -12.898 1.00 72.25 C ATOM 644 CG ASN A 41 -7.924 -5.088 -12.048 1.00 73.04 C ATOM 645 OD1 ASN A 41 -8.627 -4.116 -12.327 1.00 62.22 O ATOM 646 ND2 ASN A 41 -8.167 -5.872 -11.004 1.00 60.14 N ATOM 0 H ASN A 41 -4.644 -5.638 -14.210 1.00 43.01 H new ATOM 0 HA ASN A 41 -6.338 -3.493 -13.706 1.00 31.15 H new ATOM 0 HB2 ASN A 41 -7.061 -5.840 -13.856 1.00 72.25 H new ATOM 0 HB3 ASN A 41 -6.159 -6.244 -12.409 1.00 72.25 H new ATOM 0 HD21 ASN A 41 -8.963 -5.679 -10.396 1.00 60.14 H new ATOM 0 HD22 ASN A 41 -7.558 -6.667 -10.810 1.00 60.14 H new ATOM 653 N LYS A 42 -5.133 -4.509 -10.822 1.00 30.44 N ATOM 654 CA LYS A 42 -4.716 -4.063 -9.498 1.00 21.34 C ATOM 655 C LYS A 42 -3.879 -5.132 -8.802 1.00 22.00 C ATOM 656 O LYS A 42 -4.036 -5.377 -7.605 1.00 43.44 O ATOM 657 CB LYS A 42 -5.939 -3.722 -8.643 1.00 43.21 C ATOM 658 CG LYS A 42 -6.582 -2.394 -9.005 1.00 22.14 C ATOM 659 CD LYS A 42 -7.640 -1.993 -7.991 1.00 53.00 C ATOM 660 CE LYS A 42 -8.796 -1.259 -8.653 1.00 75.33 C ATOM 661 NZ LYS A 42 -9.824 -2.201 -9.178 1.00 24.43 N ATOM 0 H LYS A 42 -5.222 -5.521 -10.917 1.00 30.44 H new ATOM 0 HA LYS A 42 -4.104 -3.169 -9.620 1.00 21.34 H new ATOM 0 HB2 LYS A 42 -6.679 -4.515 -8.749 1.00 43.21 H new ATOM 0 HB3 LYS A 42 -5.644 -3.699 -7.594 1.00 43.21 H new ATOM 0 HG2 LYS A 42 -5.816 -1.620 -9.059 1.00 22.14 H new ATOM 0 HG3 LYS A 42 -7.033 -2.465 -9.995 1.00 22.14 H new ATOM 0 HD2 LYS A 42 -8.015 -2.882 -7.484 1.00 53.00 H new ATOM 0 HD3 LYS A 42 -7.192 -1.356 -7.229 1.00 53.00 H new ATOM 0 HE2 LYS A 42 -9.257 -0.583 -7.933 1.00 75.33 H new ATOM 0 HE3 LYS A 42 -8.416 -0.644 -9.469 1.00 75.33 H new ATOM 0 HZ1 LYS A 42 -10.595 -1.662 -9.621 1.00 24.43 H new ATOM 0 HZ2 LYS A 42 -9.391 -2.830 -9.884 1.00 24.43 H new ATOM 0 HZ3 LYS A 42 -10.205 -2.770 -8.395 1.00 24.43 H new ATOM 675 N CYS A 43 -2.989 -5.765 -9.559 1.00 25.15 N ATOM 676 CA CYS A 43 -2.126 -6.807 -9.015 1.00 45.11 C ATOM 677 C CYS A 43 -0.958 -6.199 -8.243 1.00 53.50 C ATOM 678 O CYS A 43 -0.228 -5.353 -8.762 1.00 72.52 O ATOM 679 CB CYS A 43 -1.597 -7.699 -10.140 1.00 73.03 C ATOM 680 SG CYS A 43 -0.378 -8.939 -9.596 1.00 54.32 S ATOM 0 H CYS A 43 -2.846 -5.575 -10.551 1.00 25.15 H new ATOM 0 HA CYS A 43 -2.718 -7.411 -8.328 1.00 45.11 H new ATOM 0 HB2 CYS A 43 -2.437 -8.212 -10.608 1.00 73.03 H new ATOM 0 HB3 CYS A 43 -1.142 -7.069 -10.905 1.00 73.03 H new ATOM 685 N THR A 44 -0.788 -6.634 -6.999 1.00 23.44 N ATOM 686 CA THR A 44 0.289 -6.133 -6.154 1.00 61.21 C ATOM 687 C THR A 44 0.747 -7.194 -5.159 1.00 54.32 C ATOM 688 O THR A 44 0.060 -8.192 -4.941 1.00 12.34 O ATOM 689 CB THR A 44 -0.143 -4.873 -5.381 1.00 53.12 C ATOM 690 OG1 THR A 44 -1.349 -4.343 -5.943 1.00 34.51 O ATOM 691 CG2 THR A 44 0.948 -3.814 -5.420 1.00 13.53 C ATOM 0 H THR A 44 -1.383 -7.333 -6.554 1.00 23.44 H new ATOM 0 HA THR A 44 1.117 -5.878 -6.816 1.00 61.21 H new ATOM 0 HB THR A 44 -0.319 -5.153 -4.342 1.00 53.12 H new ATOM 0 HG1 THR A 44 -1.618 -3.543 -5.445 1.00 34.51 H new ATOM 0 HG21 THR A 44 0.620 -2.933 -4.868 1.00 13.53 H new ATOM 0 HG22 THR A 44 1.856 -4.210 -4.966 1.00 13.53 H new ATOM 0 HG23 THR A 44 1.151 -3.538 -6.455 1.00 13.53 H new ATOM 699 N VAL A 45 1.911 -6.971 -4.558 1.00 32.05 N ATOM 700 CA VAL A 45 2.459 -7.907 -3.584 1.00 23.24 C ATOM 701 C VAL A 45 2.340 -7.359 -2.166 1.00 53.42 C ATOM 702 O VAL A 45 2.936 -6.334 -1.834 1.00 32.02 O ATOM 703 CB VAL A 45 3.938 -8.221 -3.878 1.00 4.22 C ATOM 704 CG1 VAL A 45 4.769 -6.947 -3.857 1.00 52.45 C ATOM 705 CG2 VAL A 45 4.477 -9.234 -2.879 1.00 13.22 C ATOM 0 H VAL A 45 2.493 -6.151 -4.728 1.00 32.05 H new ATOM 0 HA VAL A 45 1.877 -8.825 -3.666 1.00 23.24 H new ATOM 0 HB VAL A 45 4.007 -8.656 -4.875 1.00 4.22 H new ATOM 0 HG11 VAL A 45 5.811 -7.189 -4.067 1.00 52.45 H new ATOM 0 HG12 VAL A 45 4.397 -6.257 -4.615 1.00 52.45 H new ATOM 0 HG13 VAL A 45 4.695 -6.481 -2.875 1.00 52.45 H new ATOM 0 HG21 VAL A 45 5.523 -9.444 -3.102 1.00 13.22 H new ATOM 0 HG22 VAL A 45 4.395 -8.829 -1.870 1.00 13.22 H new ATOM 0 HG23 VAL A 45 3.899 -10.156 -2.948 1.00 13.22 H new ATOM 715 N ASP A 46 1.566 -8.047 -1.335 1.00 20.53 N ATOM 716 CA ASP A 46 1.369 -7.631 0.049 1.00 51.52 C ATOM 717 C ASP A 46 1.361 -8.836 0.984 1.00 40.12 C ATOM 718 O ASP A 46 0.979 -9.939 0.591 1.00 53.55 O ATOM 719 CB ASP A 46 0.059 -6.853 0.188 1.00 61.02 C ATOM 720 CG ASP A 46 -0.024 -5.683 -0.773 1.00 34.03 C ATOM 721 OD1 ASP A 46 -0.987 -5.635 -1.568 1.00 25.22 O ATOM 722 OD2 ASP A 46 0.872 -4.815 -0.729 1.00 11.22 O ATOM 0 H ASP A 46 1.064 -8.896 -1.595 1.00 20.53 H new ATOM 0 HA ASP A 46 2.200 -6.983 0.329 1.00 51.52 H new ATOM 0 HB2 ASP A 46 -0.780 -7.526 0.010 1.00 61.02 H new ATOM 0 HB3 ASP A 46 -0.036 -6.487 1.210 1.00 61.02 H new ATOM 727 N THR A 47 1.787 -8.619 2.224 1.00 31.04 N ATOM 728 CA THR A 47 1.831 -9.687 3.215 1.00 62.21 C ATOM 729 C THR A 47 1.365 -9.192 4.579 1.00 55.20 C ATOM 730 O THR A 47 1.452 -9.911 5.575 1.00 73.05 O ATOM 731 CB THR A 47 3.251 -10.269 3.351 1.00 41.31 C ATOM 732 OG1 THR A 47 4.221 -9.219 3.263 1.00 10.21 O ATOM 733 CG2 THR A 47 3.518 -11.304 2.269 1.00 73.12 C ATOM 0 H THR A 47 2.107 -7.713 2.566 1.00 31.04 H new ATOM 0 HA THR A 47 1.157 -10.469 2.866 1.00 62.21 H new ATOM 0 HB THR A 47 3.329 -10.755 4.324 1.00 41.31 H new ATOM 0 HG1 THR A 47 5.121 -9.597 3.352 1.00 10.21 H new ATOM 0 HG21 THR A 47 4.527 -11.701 2.386 1.00 73.12 H new ATOM 0 HG22 THR A 47 2.796 -12.116 2.356 1.00 73.12 H new ATOM 0 HG23 THR A 47 3.423 -10.838 1.288 1.00 73.12 H new ATOM 741 N TYR A 48 0.869 -7.960 4.618 1.00 75.22 N ATOM 742 CA TYR A 48 0.389 -7.368 5.861 1.00 23.10 C ATOM 743 C TYR A 48 -1.000 -7.891 6.214 1.00 62.24 C ATOM 744 O TYR A 48 -1.280 -8.212 7.368 1.00 41.22 O ATOM 745 CB TYR A 48 0.358 -5.843 5.745 1.00 31.23 C ATOM 746 CG TYR A 48 1.707 -5.192 5.951 1.00 21.45 C ATOM 747 CD1 TYR A 48 2.251 -4.355 4.985 1.00 23.40 C ATOM 748 CD2 TYR A 48 2.438 -5.415 7.112 1.00 70.22 C ATOM 749 CE1 TYR A 48 3.484 -3.759 5.169 1.00 71.14 C ATOM 750 CE2 TYR A 48 3.671 -4.822 7.305 1.00 74.05 C ATOM 751 CZ TYR A 48 4.189 -3.995 6.330 1.00 24.11 C ATOM 752 OH TYR A 48 5.418 -3.403 6.518 1.00 75.54 O ATOM 0 H TYR A 48 0.789 -7.352 3.803 1.00 75.22 H new ATOM 0 HA TYR A 48 1.077 -7.652 6.658 1.00 23.10 H new ATOM 0 HB2 TYR A 48 -0.021 -5.570 4.760 1.00 31.23 H new ATOM 0 HB3 TYR A 48 -0.344 -5.446 6.478 1.00 31.23 H new ATOM 0 HD1 TYR A 48 1.701 -4.167 4.075 1.00 23.40 H new ATOM 0 HD2 TYR A 48 2.035 -6.063 7.876 1.00 70.22 H new ATOM 0 HE1 TYR A 48 3.893 -3.112 4.407 1.00 71.14 H new ATOM 0 HE2 TYR A 48 4.226 -5.005 8.213 1.00 74.05 H new ATOM 0 HH TYR A 48 5.781 -3.672 7.388 1.00 75.54 H new ATOM 762 N ASN A 49 -1.866 -7.975 5.209 1.00 50.10 N ATOM 763 CA ASN A 49 -3.227 -8.459 5.411 1.00 23.13 C ATOM 764 C ASN A 49 -3.329 -9.946 5.084 1.00 55.44 C ATOM 765 O ASN A 49 -4.423 -10.507 5.037 1.00 51.02 O ATOM 766 CB ASN A 49 -4.207 -7.665 4.545 1.00 22.50 C ATOM 767 CG ASN A 49 -3.713 -7.495 3.121 1.00 2.34 C ATOM 768 OD1 ASN A 49 -2.835 -8.227 2.665 1.00 31.51 O ATOM 769 ND2 ASN A 49 -4.276 -6.523 2.412 1.00 30.44 N ATOM 0 H ASN A 49 -1.650 -7.714 4.247 1.00 50.10 H new ATOM 0 HA ASN A 49 -3.485 -8.318 6.461 1.00 23.13 H new ATOM 0 HB2 ASN A 49 -5.172 -8.173 4.534 1.00 22.50 H new ATOM 0 HB3 ASN A 49 -4.368 -6.683 4.990 1.00 22.50 H new ATOM 0 HD21 ASN A 49 -3.984 -6.359 1.449 1.00 30.44 H new ATOM 0 HD22 ASN A 49 -5.001 -5.940 2.831 1.00 30.44 H new ATOM 776 N ASN A 50 -2.182 -10.577 4.858 1.00 1.00 N ATOM 777 CA ASN A 50 -2.142 -11.999 4.535 1.00 53.53 C ATOM 778 C ASN A 50 -2.748 -12.261 3.159 1.00 2.41 C ATOM 779 O ASN A 50 -2.881 -13.409 2.737 1.00 41.33 O ATOM 780 CB ASN A 50 -2.892 -12.805 5.596 1.00 33.45 C ATOM 781 CG ASN A 50 -3.809 -13.850 4.989 1.00 42.43 C ATOM 782 OD1 ASN A 50 -3.440 -15.017 4.863 1.00 72.53 O ATOM 783 ND2 ASN A 50 -5.011 -13.432 4.608 1.00 23.32 N ATOM 0 H ASN A 50 -1.268 -10.127 4.892 1.00 1.00 H new ATOM 0 HA ASN A 50 -1.099 -12.314 4.519 1.00 53.53 H new ATOM 0 HB2 ASN A 50 -2.172 -13.294 6.252 1.00 33.45 H new ATOM 0 HB3 ASN A 50 -3.479 -12.127 6.216 1.00 33.45 H new ATOM 0 HD21 ASN A 50 -5.671 -14.089 4.192 1.00 23.32 H new ATOM 0 HD22 ASN A 50 -5.274 -12.454 4.732 1.00 23.32 H new ATOM 790 N ALA A 51 -3.112 -11.187 2.465 1.00 73.51 N ATOM 791 CA ALA A 51 -3.701 -11.301 1.136 1.00 1.22 C ATOM 792 C ALA A 51 -2.656 -11.716 0.106 1.00 3.23 C ATOM 793 O ALA A 51 -1.503 -11.290 0.171 1.00 45.32 O ATOM 794 CB ALA A 51 -4.349 -9.985 0.732 1.00 34.03 C ATOM 0 H ALA A 51 -3.009 -10.229 2.801 1.00 73.51 H new ATOM 0 HA ALA A 51 -4.467 -12.076 1.170 1.00 1.22 H new ATOM 0 HB1 ALA A 51 -4.785 -10.084 -0.262 1.00 34.03 H new ATOM 0 HB2 ALA A 51 -5.131 -9.730 1.447 1.00 34.03 H new ATOM 0 HB3 ALA A 51 -3.596 -9.197 0.721 1.00 34.03 H new ATOM 800 N VAL A 52 -3.066 -12.551 -0.843 1.00 51.42 N ATOM 801 CA VAL A 52 -2.165 -13.023 -1.888 1.00 20.15 C ATOM 802 C VAL A 52 -2.079 -12.021 -3.034 1.00 23.55 C ATOM 803 O VAL A 52 -2.983 -11.210 -3.232 1.00 11.02 O ATOM 804 CB VAL A 52 -2.617 -14.386 -2.444 1.00 60.15 C ATOM 805 CG1 VAL A 52 -3.881 -14.231 -3.277 1.00 5.51 C ATOM 806 CG2 VAL A 52 -1.504 -15.022 -3.264 1.00 20.14 C ATOM 0 H VAL A 52 -4.017 -12.915 -0.910 1.00 51.42 H new ATOM 0 HA VAL A 52 -1.181 -13.133 -1.432 1.00 20.15 H new ATOM 0 HB VAL A 52 -2.842 -15.044 -1.605 1.00 60.15 H new ATOM 0 HG11 VAL A 52 -4.185 -15.205 -3.661 1.00 5.51 H new ATOM 0 HG12 VAL A 52 -4.678 -13.821 -2.656 1.00 5.51 H new ATOM 0 HG13 VAL A 52 -3.687 -13.556 -4.111 1.00 5.51 H new ATOM 0 HG21 VAL A 52 -1.840 -15.985 -3.649 1.00 20.14 H new ATOM 0 HG22 VAL A 52 -1.246 -14.368 -4.097 1.00 20.14 H new ATOM 0 HG23 VAL A 52 -0.627 -15.170 -2.634 1.00 20.14 H new ATOM 816 N ASP A 53 -0.986 -12.084 -3.786 1.00 24.43 N ATOM 817 CA ASP A 53 -0.781 -11.184 -4.914 1.00 51.42 C ATOM 818 C ASP A 53 -1.439 -11.735 -6.175 1.00 51.44 C ATOM 819 O ASP A 53 -0.878 -12.594 -6.857 1.00 15.35 O ATOM 820 CB ASP A 53 0.713 -10.967 -5.157 1.00 4.21 C ATOM 821 CG ASP A 53 1.496 -12.265 -5.150 1.00 35.54 C ATOM 822 OD1 ASP A 53 1.990 -12.667 -6.224 1.00 42.31 O ATOM 823 OD2 ASP A 53 1.614 -12.880 -4.069 1.00 72.33 O ATOM 0 H ASP A 53 -0.228 -12.749 -3.635 1.00 24.43 H new ATOM 0 HA ASP A 53 -1.244 -10.227 -4.672 1.00 51.42 H new ATOM 0 HB2 ASP A 53 0.853 -10.467 -6.115 1.00 4.21 H new ATOM 0 HB3 ASP A 53 1.110 -10.303 -4.390 1.00 4.21 H new ATOM 828 N CYS A 54 -2.632 -11.235 -6.480 1.00 73.44 N ATOM 829 CA CYS A 54 -3.368 -11.678 -7.658 1.00 55.14 C ATOM 830 C CYS A 54 -4.418 -10.647 -8.063 1.00 15.05 C ATOM 831 O CYS A 54 -5.297 -10.299 -7.274 1.00 14.22 O ATOM 832 CB CYS A 54 -4.039 -13.027 -7.390 1.00 1.43 C ATOM 833 SG CYS A 54 -2.981 -14.467 -7.743 1.00 44.42 S ATOM 0 H CYS A 54 -3.109 -10.523 -5.928 1.00 73.44 H new ATOM 0 HA CYS A 54 -2.658 -11.790 -8.478 1.00 55.14 H new ATOM 0 HB2 CYS A 54 -4.350 -13.065 -6.346 1.00 1.43 H new ATOM 0 HB3 CYS A 54 -4.943 -13.097 -7.994 1.00 1.43 H new ATOM 838 N ASP A 55 -4.320 -10.163 -9.296 1.00 33.22 N ATOM 839 CA ASP A 55 -5.262 -9.173 -9.806 1.00 62.30 C ATOM 840 C ASP A 55 -4.878 -8.734 -11.216 1.00 30.43 C ATOM 841 O ASP A 55 -3.923 -9.249 -11.798 1.00 64.33 O ATOM 842 CB ASP A 55 -5.312 -7.960 -8.877 1.00 14.34 C ATOM 843 CG ASP A 55 -6.646 -7.828 -8.168 1.00 32.41 C ATOM 844 OD1 ASP A 55 -7.326 -8.861 -7.985 1.00 44.54 O ATOM 845 OD2 ASP A 55 -7.010 -6.694 -7.795 1.00 12.21 O ATOM 0 H ASP A 55 -3.598 -10.440 -9.961 1.00 33.22 H new ATOM 0 HA ASP A 55 -6.250 -9.633 -9.844 1.00 62.30 H new ATOM 0 HB2 ASP A 55 -4.517 -8.040 -8.136 1.00 14.34 H new ATOM 0 HB3 ASP A 55 -5.120 -7.056 -9.454 1.00 14.34 H new TER 850 ASP A 55