USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -2.44 K(o=-2.9,f=0.87) USER MOD Set 1.2: A 24 THR OG1 : rot 66:sc= -0.41 USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.00341 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot -78:sc= 0.837 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= -0.59 X(o=-0.59,f=-0.9) 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 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= -0.123 X(o=-0.12,f=-0.023) 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= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 41 ASN : amide:sc= 0.17 X(o=0.17,f=0.39) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0845) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.691 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= -0.343 X(o=-0.34,f=-0.056) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA ALA A 1 2.093 -0.001 -1.241 1.00 71.14 C ATOM 3 C ALA A 1 3.568 0.284 -0.979 1.00 33.13 C ATOM 4 O ALA A 1 3.910 1.176 -0.202 1.00 31.20 O ATOM 5 CB ALA A 1 1.521 1.020 -2.214 1.00 21.12 C ATOM 0 H1 ALA A 1 0.406 0.452 -0.161 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.184 -0.979 0.319 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.851 0.528 0.728 1.00 0.00 H new ATOM 0 HA ALA A 1 2.015 -0.993 -1.685 1.00 71.14 H new ATOM 0 HB1 ALA A 1 2.101 1.008 -3.137 1.00 21.12 H new ATOM 0 HB2 ALA A 1 0.483 0.770 -2.435 1.00 21.12 H new ATOM 0 HB3 ALA A 1 1.568 2.014 -1.768 1.00 21.12 H new ATOM 11 N LYS A 2 4.438 -0.480 -1.630 1.00 42.33 N ATOM 12 CA LYS A 2 5.877 -0.310 -1.468 1.00 43.43 C ATOM 13 C LYS A 2 6.301 -0.602 -0.032 1.00 44.35 C ATOM 14 O LYS A 2 6.069 0.203 0.870 1.00 53.33 O ATOM 15 CB LYS A 2 6.290 1.113 -1.854 1.00 22.40 C ATOM 16 CG LYS A 2 7.324 1.165 -2.965 1.00 41.53 C ATOM 17 CD LYS A 2 8.648 1.722 -2.469 1.00 40.33 C ATOM 18 CE LYS A 2 8.561 3.218 -2.210 1.00 2.53 C ATOM 19 NZ LYS A 2 9.611 3.972 -2.950 1.00 72.33 N ATOM 0 H LYS A 2 4.172 -1.224 -2.275 1.00 42.33 H new ATOM 0 HA LYS A 2 6.378 -1.019 -2.127 1.00 43.43 H new ATOM 0 HB2 LYS A 2 5.405 1.667 -2.166 1.00 22.40 H new ATOM 0 HB3 LYS A 2 6.688 1.618 -0.974 1.00 22.40 H new ATOM 0 HG2 LYS A 2 7.477 0.164 -3.368 1.00 41.53 H new ATOM 0 HG3 LYS A 2 6.951 1.783 -3.782 1.00 41.53 H new ATOM 0 HD2 LYS A 2 8.939 1.209 -1.552 1.00 40.33 H new ATOM 0 HD3 LYS A 2 9.426 1.524 -3.206 1.00 40.33 H new ATOM 0 HE2 LYS A 2 7.577 3.581 -2.506 1.00 2.53 H new ATOM 0 HE3 LYS A 2 8.663 3.408 -1.142 1.00 2.53 H new ATOM 0 HZ1 LYS A 2 9.517 4.988 -2.747 1.00 72.33 H new ATOM 0 HZ2 LYS A 2 10.551 3.644 -2.649 1.00 72.33 H new ATOM 0 HZ3 LYS A 2 9.499 3.812 -3.971 1.00 72.33 H new ATOM 33 N TYR A 3 6.925 -1.756 0.172 1.00 65.32 N ATOM 34 CA TYR A 3 7.381 -2.154 1.498 1.00 23.54 C ATOM 35 C TYR A 3 8.720 -1.504 1.832 1.00 23.13 C ATOM 36 O TYR A 3 9.595 -1.379 0.975 1.00 41.35 O ATOM 37 CB TYR A 3 7.506 -3.677 1.582 1.00 11.32 C ATOM 38 CG TYR A 3 6.261 -4.411 1.140 1.00 72.54 C ATOM 39 CD1 TYR A 3 5.122 -4.431 1.936 1.00 62.21 C ATOM 40 CD2 TYR A 3 6.223 -5.087 -0.074 1.00 10.30 C ATOM 41 CE1 TYR A 3 3.982 -5.102 1.536 1.00 4.31 C ATOM 42 CE2 TYR A 3 5.087 -5.759 -0.482 1.00 42.45 C ATOM 43 CZ TYR A 3 3.970 -5.763 0.326 1.00 33.40 C ATOM 44 OH TYR A 3 2.837 -6.433 -0.077 1.00 11.23 O ATOM 0 H TYR A 3 7.127 -2.433 -0.564 1.00 65.32 H new ATOM 0 HA TYR A 3 6.642 -1.816 2.225 1.00 23.54 H new ATOM 0 HB2 TYR A 3 8.346 -3.999 0.966 1.00 11.32 H new ATOM 0 HB3 TYR A 3 7.738 -3.958 2.609 1.00 11.32 H new ATOM 0 HD1 TYR A 3 5.128 -3.913 2.884 1.00 62.21 H new ATOM 0 HD2 TYR A 3 7.097 -5.087 -0.709 1.00 10.30 H new ATOM 0 HE1 TYR A 3 3.106 -5.109 2.167 1.00 4.31 H new ATOM 0 HE2 TYR A 3 5.074 -6.278 -1.429 1.00 42.45 H new ATOM 0 HH TYR A 3 2.780 -7.291 0.393 1.00 11.23 H new ATOM 54 N THR A 4 8.874 -1.092 3.087 1.00 41.22 N ATOM 55 CA THR A 4 10.105 -0.454 3.536 1.00 0.12 C ATOM 56 C THR A 4 10.808 -1.299 4.592 1.00 4.11 C ATOM 57 O THR A 4 10.175 -1.815 5.512 1.00 54.04 O ATOM 58 CB THR A 4 9.833 0.948 4.114 1.00 33.45 C ATOM 59 OG1 THR A 4 8.953 1.673 3.248 1.00 60.31 O ATOM 60 CG2 THR A 4 11.130 1.722 4.291 1.00 24.40 C ATOM 0 H THR A 4 8.161 -1.189 3.810 1.00 41.22 H new ATOM 0 HA THR A 4 10.749 -0.360 2.662 1.00 0.12 H new ATOM 0 HB THR A 4 9.364 0.829 5.091 1.00 33.45 H new ATOM 0 HG1 THR A 4 8.784 2.562 3.623 1.00 60.31 H new ATOM 0 HG21 THR A 4 10.912 2.708 4.700 1.00 24.40 H new ATOM 0 HG22 THR A 4 11.785 1.182 4.975 1.00 24.40 H new ATOM 0 HG23 THR A 4 11.623 1.831 3.325 1.00 24.40 H new ATOM 68 N GLY A 5 12.124 -1.436 4.454 1.00 12.12 N ATOM 69 CA GLY A 5 12.892 -2.219 5.404 1.00 33.33 C ATOM 70 C GLY A 5 14.378 -1.929 5.329 1.00 55.34 C ATOM 71 O GLY A 5 14.789 -0.884 4.823 1.00 31.04 O ATOM 0 H GLY A 5 12.671 -1.019 3.701 1.00 12.12 H new ATOM 0 HA2 GLY A 5 12.535 -2.012 6.413 1.00 33.33 H new ATOM 0 HA3 GLY A 5 12.722 -3.279 5.217 1.00 33.33 H new ATOM 75 N LYS A 6 15.186 -2.854 5.833 1.00 22.35 N ATOM 76 CA LYS A 6 16.635 -2.694 5.822 1.00 43.51 C ATOM 77 C LYS A 6 17.326 -4.008 5.473 1.00 32.23 C ATOM 78 O LYS A 6 16.783 -5.088 5.710 1.00 62.04 O ATOM 79 CB LYS A 6 17.124 -2.194 7.183 1.00 5.41 C ATOM 80 CG LYS A 6 16.240 -1.118 7.790 1.00 71.31 C ATOM 81 CD LYS A 6 15.203 -1.713 8.728 1.00 2.12 C ATOM 82 CE LYS A 6 14.382 -0.629 9.410 1.00 20.42 C ATOM 83 NZ LYS A 6 12.928 -0.951 9.407 1.00 10.03 N ATOM 0 H LYS A 6 14.862 -3.724 6.255 1.00 22.35 H new ATOM 0 HA LYS A 6 16.888 -1.958 5.059 1.00 43.51 H new ATOM 0 HB2 LYS A 6 17.180 -3.037 7.871 1.00 5.41 H new ATOM 0 HB3 LYS A 6 18.136 -1.803 7.075 1.00 5.41 H new ATOM 0 HG2 LYS A 6 16.857 -0.403 8.334 1.00 71.31 H new ATOM 0 HG3 LYS A 6 15.739 -0.566 6.995 1.00 71.31 H new ATOM 0 HD2 LYS A 6 14.541 -2.374 8.168 1.00 2.12 H new ATOM 0 HD3 LYS A 6 15.700 -2.323 9.482 1.00 2.12 H new ATOM 0 HE2 LYS A 6 14.725 -0.506 10.437 1.00 20.42 H new ATOM 0 HE3 LYS A 6 14.544 0.322 8.904 1.00 20.42 H new ATOM 0 HZ1 LYS A 6 12.403 -0.189 9.881 1.00 10.03 H new ATOM 0 HZ2 LYS A 6 12.595 -1.044 8.426 1.00 10.03 H new ATOM 0 HZ3 LYS A 6 12.770 -1.846 9.912 1.00 10.03 H new ATOM 97 N CYS A 7 18.526 -3.910 4.911 1.00 31.03 N ATOM 98 CA CYS A 7 19.292 -5.091 4.531 1.00 54.10 C ATOM 99 C CYS A 7 20.520 -5.253 5.422 1.00 41.33 C ATOM 100 O CYS A 7 20.656 -4.575 6.441 1.00 44.33 O ATOM 101 CB CYS A 7 19.720 -4.996 3.065 1.00 32.52 C ATOM 102 SG CYS A 7 18.804 -3.751 2.102 1.00 74.23 S ATOM 0 H CYS A 7 18.989 -3.024 4.709 1.00 31.03 H new ATOM 0 HA CYS A 7 18.654 -5.965 4.661 1.00 54.10 H new ATOM 0 HB2 CYS A 7 20.784 -4.762 3.023 1.00 32.52 H new ATOM 0 HB3 CYS A 7 19.589 -5.971 2.596 1.00 32.52 H new ATOM 107 N THR A 8 21.413 -6.156 5.030 1.00 24.20 N ATOM 108 CA THR A 8 22.630 -6.408 5.792 1.00 32.40 C ATOM 109 C THR A 8 23.824 -6.615 4.868 1.00 25.20 C ATOM 110 O THR A 8 23.797 -7.469 3.982 1.00 72.43 O ATOM 111 CB THR A 8 22.478 -7.643 6.700 1.00 31.22 C ATOM 112 OG1 THR A 8 21.092 -7.894 6.958 1.00 31.03 O ATOM 113 CG2 THR A 8 23.215 -7.442 8.015 1.00 4.34 C ATOM 0 H THR A 8 21.316 -6.725 4.189 1.00 24.20 H new ATOM 0 HA THR A 8 22.802 -5.529 6.412 1.00 32.40 H new ATOM 0 HB THR A 8 22.913 -8.500 6.186 1.00 31.22 H new ATOM 0 HG1 THR A 8 21.004 -8.682 7.535 1.00 31.03 H new ATOM 0 HG21 THR A 8 23.093 -8.327 8.639 1.00 4.34 H new ATOM 0 HG22 THR A 8 24.275 -7.281 7.817 1.00 4.34 H new ATOM 0 HG23 THR A 8 22.806 -6.574 8.532 1.00 4.34 H new ATOM 121 N LYS A 9 24.874 -5.829 5.081 1.00 41.34 N ATOM 122 CA LYS A 9 26.081 -5.926 4.268 1.00 31.33 C ATOM 123 C LYS A 9 26.723 -7.302 4.411 1.00 23.43 C ATOM 124 O LYS A 9 27.568 -7.690 3.605 1.00 62.24 O ATOM 125 CB LYS A 9 27.081 -4.840 4.672 1.00 61.54 C ATOM 126 CG LYS A 9 27.744 -5.093 6.014 1.00 25.04 C ATOM 127 CD LYS A 9 29.106 -5.747 5.849 1.00 31.45 C ATOM 128 CE LYS A 9 30.037 -5.393 6.999 1.00 64.25 C ATOM 129 NZ LYS A 9 30.842 -6.565 7.442 1.00 61.23 N ATOM 0 H LYS A 9 24.914 -5.117 5.810 1.00 41.34 H new ATOM 0 HA LYS A 9 25.800 -5.782 3.225 1.00 31.33 H new ATOM 0 HB2 LYS A 9 27.851 -4.763 3.904 1.00 61.54 H new ATOM 0 HB3 LYS A 9 26.567 -3.879 4.705 1.00 61.54 H new ATOM 0 HG2 LYS A 9 27.855 -4.150 6.550 1.00 25.04 H new ATOM 0 HG3 LYS A 9 27.104 -5.732 6.622 1.00 25.04 H new ATOM 0 HD2 LYS A 9 28.987 -6.829 5.796 1.00 31.45 H new ATOM 0 HD3 LYS A 9 29.552 -5.428 4.907 1.00 31.45 H new ATOM 0 HE2 LYS A 9 30.705 -4.589 6.691 1.00 64.25 H new ATOM 0 HE3 LYS A 9 29.451 -5.017 7.838 1.00 64.25 H new ATOM 0 HZ1 LYS A 9 31.463 -6.283 8.227 1.00 61.23 H new ATOM 0 HZ2 LYS A 9 30.205 -7.323 7.760 1.00 61.23 H new ATOM 0 HZ3 LYS A 9 31.420 -6.909 6.649 1.00 61.23 H new ATOM 143 N SER A 10 26.316 -8.036 5.442 1.00 70.41 N ATOM 144 CA SER A 10 26.854 -9.369 5.691 1.00 12.34 C ATOM 145 C SER A 10 26.846 -10.205 4.416 1.00 74.53 C ATOM 146 O SER A 10 27.891 -10.657 3.948 1.00 3.02 O ATOM 147 CB SER A 10 26.044 -10.073 6.782 1.00 51.42 C ATOM 148 OG SER A 10 26.372 -11.449 6.852 1.00 32.50 O ATOM 0 H SER A 10 25.616 -7.731 6.118 1.00 70.41 H new ATOM 0 HA SER A 10 27.885 -9.261 6.027 1.00 12.34 H new ATOM 0 HB2 SER A 10 26.237 -9.600 7.745 1.00 51.42 H new ATOM 0 HB3 SER A 10 24.979 -9.960 6.579 1.00 51.42 H new ATOM 0 HG SER A 10 25.842 -11.876 7.557 1.00 32.50 H new ATOM 154 N LYS A 11 25.657 -10.409 3.857 1.00 45.23 N ATOM 155 CA LYS A 11 25.510 -11.190 2.634 1.00 1.24 C ATOM 156 C LYS A 11 24.461 -10.571 1.716 1.00 10.33 C ATOM 157 O LYS A 11 24.021 -11.195 0.752 1.00 43.34 O ATOM 158 CB LYS A 11 25.122 -12.632 2.970 1.00 45.23 C ATOM 159 CG LYS A 11 26.224 -13.639 2.687 1.00 33.01 C ATOM 160 CD LYS A 11 25.670 -14.910 2.065 1.00 25.32 C ATOM 161 CE LYS A 11 26.699 -16.031 2.080 1.00 74.12 C ATOM 162 NZ LYS A 11 27.736 -15.846 1.027 1.00 32.14 N ATOM 0 H LYS A 11 24.781 -10.044 4.232 1.00 45.23 H new ATOM 0 HA LYS A 11 26.468 -11.189 2.114 1.00 1.24 H new ATOM 0 HB2 LYS A 11 24.850 -12.690 4.024 1.00 45.23 H new ATOM 0 HB3 LYS A 11 24.236 -12.904 2.396 1.00 45.23 H new ATOM 0 HG2 LYS A 11 26.960 -13.196 2.017 1.00 33.01 H new ATOM 0 HG3 LYS A 11 26.743 -13.882 3.614 1.00 33.01 H new ATOM 0 HD2 LYS A 11 24.779 -15.225 2.609 1.00 25.32 H new ATOM 0 HD3 LYS A 11 25.363 -14.710 1.039 1.00 25.32 H new ATOM 0 HE2 LYS A 11 27.178 -16.071 3.058 1.00 74.12 H new ATOM 0 HE3 LYS A 11 26.197 -16.987 1.931 1.00 74.12 H new ATOM 0 HZ1 LYS A 11 28.418 -16.630 1.070 1.00 32.14 H new ATOM 0 HZ2 LYS A 11 27.282 -15.833 0.091 1.00 32.14 H new ATOM 0 HZ3 LYS A 11 28.233 -14.946 1.183 1.00 32.14 H new ATOM 176 N ASN A 12 24.066 -9.339 2.023 1.00 74.42 N ATOM 177 CA ASN A 12 23.069 -8.636 1.224 1.00 14.20 C ATOM 178 C ASN A 12 21.721 -9.348 1.285 1.00 32.15 C ATOM 179 O ASN A 12 21.579 -10.470 0.801 1.00 74.11 O ATOM 180 CB ASN A 12 23.534 -8.526 -0.229 1.00 42.13 C ATOM 181 CG ASN A 12 22.406 -8.755 -1.217 1.00 22.23 C ATOM 182 OD1 ASN A 12 22.214 -9.867 -1.709 1.00 40.13 O ATOM 183 ND2 ASN A 12 21.654 -7.701 -1.510 1.00 71.04 N ATOM 0 H ASN A 12 24.421 -8.808 2.818 1.00 74.42 H new ATOM 0 HA ASN A 12 22.950 -7.635 1.638 1.00 14.20 H new ATOM 0 HB2 ASN A 12 23.964 -7.539 -0.396 1.00 42.13 H new ATOM 0 HB3 ASN A 12 24.325 -9.253 -0.410 1.00 42.13 H new ATOM 0 HD21 ASN A 12 20.880 -7.794 -2.167 1.00 71.04 H new ATOM 0 HD22 ASN A 12 21.850 -6.798 -1.078 1.00 71.04 H new ATOM 190 N GLU A 13 20.735 -8.687 1.884 1.00 30.12 N ATOM 191 CA GLU A 13 19.399 -9.258 2.009 1.00 51.31 C ATOM 192 C GLU A 13 18.421 -8.234 2.578 1.00 51.21 C ATOM 193 O GLU A 13 18.334 -8.049 3.792 1.00 21.22 O ATOM 194 CB GLU A 13 19.432 -10.499 2.903 1.00 72.34 C ATOM 195 CG GLU A 13 18.706 -11.695 2.310 1.00 64.44 C ATOM 196 CD GLU A 13 18.518 -12.819 3.311 1.00 42.33 C ATOM 197 OE1 GLU A 13 18.934 -12.649 4.476 1.00 32.53 O ATOM 198 OE2 GLU A 13 17.956 -13.866 2.929 1.00 22.32 O ATOM 0 H GLU A 13 20.836 -7.757 2.290 1.00 30.12 H new ATOM 0 HA GLU A 13 19.060 -9.545 1.014 1.00 51.31 H new ATOM 0 HB2 GLU A 13 20.470 -10.772 3.093 1.00 72.34 H new ATOM 0 HB3 GLU A 13 18.985 -10.254 3.867 1.00 72.34 H new ATOM 0 HG2 GLU A 13 17.732 -11.377 1.940 1.00 64.44 H new ATOM 0 HG3 GLU A 13 19.267 -12.067 1.453 1.00 64.44 H new ATOM 205 N CYS A 14 17.686 -7.570 1.692 1.00 45.24 N ATOM 206 CA CYS A 14 16.715 -6.564 2.103 1.00 1.40 C ATOM 207 C CYS A 14 15.489 -7.217 2.734 1.00 71.23 C ATOM 208 O CYS A 14 14.818 -8.038 2.108 1.00 54.11 O ATOM 209 CB CYS A 14 16.293 -5.712 0.904 1.00 12.12 C ATOM 210 SG CYS A 14 15.167 -4.343 1.325 1.00 44.54 S ATOM 0 H CYS A 14 17.745 -7.711 0.684 1.00 45.24 H new ATOM 0 HA CYS A 14 17.187 -5.923 2.848 1.00 1.40 H new ATOM 0 HB2 CYS A 14 17.185 -5.302 0.431 1.00 12.12 H new ATOM 0 HB3 CYS A 14 15.808 -6.354 0.168 1.00 12.12 H new ATOM 215 N LYS A 15 15.202 -6.847 3.977 1.00 20.32 N ATOM 216 CA LYS A 15 14.056 -7.395 4.694 1.00 44.11 C ATOM 217 C LYS A 15 12.806 -6.560 4.440 1.00 54.24 C ATOM 218 O LYS A 15 12.887 -5.348 4.235 1.00 64.54 O ATOM 219 CB LYS A 15 14.348 -7.452 6.195 1.00 32.22 C ATOM 220 CG LYS A 15 13.161 -7.905 7.028 1.00 1.33 C ATOM 221 CD LYS A 15 12.396 -6.722 7.597 1.00 13.32 C ATOM 222 CE LYS A 15 13.211 -5.984 8.648 1.00 12.31 C ATOM 223 NZ LYS A 15 12.346 -5.395 9.708 1.00 23.53 N ATOM 0 H LYS A 15 15.747 -6.169 4.510 1.00 20.32 H new ATOM 0 HA LYS A 15 13.877 -8.405 4.326 1.00 44.11 H new ATOM 0 HB2 LYS A 15 15.183 -8.130 6.369 1.00 32.22 H new ATOM 0 HB3 LYS A 15 14.663 -6.465 6.533 1.00 32.22 H new ATOM 0 HG2 LYS A 15 12.494 -8.510 6.414 1.00 1.33 H new ATOM 0 HG3 LYS A 15 13.508 -8.541 7.842 1.00 1.33 H new ATOM 0 HD2 LYS A 15 12.133 -6.036 6.792 1.00 13.32 H new ATOM 0 HD3 LYS A 15 11.462 -7.070 8.038 1.00 13.32 H new ATOM 0 HE2 LYS A 15 13.925 -6.671 9.102 1.00 12.31 H new ATOM 0 HE3 LYS A 15 13.789 -5.193 8.170 1.00 12.31 H new ATOM 0 HZ1 LYS A 15 12.939 -4.901 10.405 1.00 23.53 H new ATOM 0 HZ2 LYS A 15 11.681 -4.720 9.278 1.00 23.53 H new ATOM 0 HZ3 LYS A 15 11.813 -6.152 10.182 1.00 23.53 H new ATOM 237 N TYR A 16 11.650 -7.214 4.456 1.00 73.02 N ATOM 238 CA TYR A 16 10.382 -6.532 4.226 1.00 51.41 C ATOM 239 C TYR A 16 9.204 -7.454 4.525 1.00 64.42 C ATOM 240 O TYR A 16 9.377 -8.545 5.071 1.00 51.45 O ATOM 241 CB TYR A 16 10.301 -6.034 2.782 1.00 72.43 C ATOM 242 CG TYR A 16 10.042 -7.134 1.776 1.00 0.24 C ATOM 243 CD1 TYR A 16 8.894 -7.129 0.993 1.00 65.31 C ATOM 244 CD2 TYR A 16 10.944 -8.177 1.611 1.00 61.42 C ATOM 245 CE1 TYR A 16 8.653 -8.132 0.074 1.00 63.04 C ATOM 246 CE2 TYR A 16 10.712 -9.183 0.693 1.00 31.40 C ATOM 247 CZ TYR A 16 9.565 -9.156 -0.073 1.00 22.40 C ATOM 248 OH TYR A 16 9.330 -10.157 -0.987 1.00 74.53 O ATOM 0 H TYR A 16 11.565 -8.216 4.626 1.00 73.02 H new ATOM 0 HA TYR A 16 10.331 -5.678 4.901 1.00 51.41 H new ATOM 0 HB2 TYR A 16 9.508 -5.290 2.707 1.00 72.43 H new ATOM 0 HB3 TYR A 16 11.234 -5.532 2.527 1.00 72.43 H new ATOM 0 HD1 TYR A 16 8.178 -6.328 1.105 1.00 65.31 H new ATOM 0 HD2 TYR A 16 11.842 -8.202 2.210 1.00 61.42 H new ATOM 0 HE1 TYR A 16 7.755 -8.114 -0.526 1.00 63.04 H new ATOM 0 HE2 TYR A 16 11.425 -9.986 0.576 1.00 31.40 H new ATOM 0 HH TYR A 16 10.070 -10.799 -0.966 1.00 74.53 H new ATOM 258 N LYS A 17 8.006 -7.010 4.163 1.00 51.35 N ATOM 259 CA LYS A 17 6.798 -7.794 4.389 1.00 53.04 C ATOM 260 C LYS A 17 6.068 -8.060 3.076 1.00 63.43 C ATOM 261 O LYS A 17 5.985 -7.187 2.213 1.00 31.22 O ATOM 262 CB LYS A 17 5.868 -7.067 5.363 1.00 52.14 C ATOM 263 CG LYS A 17 5.568 -5.633 4.961 1.00 34.13 C ATOM 264 CD LYS A 17 5.854 -4.665 6.097 1.00 52.33 C ATOM 265 CE LYS A 17 4.921 -3.464 6.053 1.00 4.33 C ATOM 266 NZ LYS A 17 5.615 -2.241 5.563 1.00 51.41 N ATOM 0 H LYS A 17 7.845 -6.110 3.711 1.00 51.35 H new ATOM 0 HA LYS A 17 7.092 -8.750 4.822 1.00 53.04 H new ATOM 0 HB2 LYS A 17 4.931 -7.618 5.438 1.00 52.14 H new ATOM 0 HB3 LYS A 17 6.320 -7.071 6.355 1.00 52.14 H new ATOM 0 HG2 LYS A 17 6.169 -5.364 4.092 1.00 34.13 H new ATOM 0 HG3 LYS A 17 4.523 -5.548 4.664 1.00 34.13 H new ATOM 0 HD2 LYS A 17 5.742 -5.179 7.052 1.00 52.33 H new ATOM 0 HD3 LYS A 17 6.888 -4.326 6.036 1.00 52.33 H new ATOM 0 HE2 LYS A 17 4.074 -3.686 5.404 1.00 4.33 H new ATOM 0 HE3 LYS A 17 4.519 -3.279 7.049 1.00 4.33 H new ATOM 0 HZ1 LYS A 17 4.946 -1.445 5.548 1.00 51.41 H new ATOM 0 HZ2 LYS A 17 6.408 -2.015 6.197 1.00 51.41 H new ATOM 0 HZ3 LYS A 17 5.976 -2.408 4.602 1.00 51.41 H new ATOM 280 N ASN A 18 5.541 -9.272 2.932 1.00 14.24 N ATOM 281 CA ASN A 18 4.817 -9.652 1.725 1.00 61.34 C ATOM 282 C ASN A 18 3.310 -9.614 1.959 1.00 70.24 C ATOM 283 O ASN A 18 2.569 -8.993 1.197 1.00 73.13 O ATOM 284 CB ASN A 18 5.239 -11.052 1.272 1.00 41.52 C ATOM 285 CG ASN A 18 5.199 -12.061 2.402 1.00 24.54 C ATOM 286 OD1 ASN A 18 4.212 -12.776 2.577 1.00 0.44 O ATOM 287 ND2 ASN A 18 6.276 -12.125 3.177 1.00 65.13 N ATOM 0 H ASN A 18 5.602 -10.007 3.636 1.00 14.24 H new ATOM 0 HA ASN A 18 5.063 -8.934 0.943 1.00 61.34 H new ATOM 0 HB2 ASN A 18 4.582 -11.384 0.468 1.00 41.52 H new ATOM 0 HB3 ASN A 18 6.248 -11.010 0.862 1.00 41.52 H new ATOM 0 HD21 ASN A 18 6.307 -12.786 3.953 1.00 65.13 H new ATOM 0 HD22 ASN A 18 7.072 -11.513 2.996 1.00 65.13 H new ATOM 294 N ASP A 19 2.864 -10.282 3.017 1.00 2.31 N ATOM 295 CA ASP A 19 1.446 -10.323 3.353 1.00 32.21 C ATOM 296 C ASP A 19 1.042 -9.093 4.161 1.00 64.44 C ATOM 297 O ASP A 19 -0.031 -8.529 3.955 1.00 15.32 O ATOM 298 CB ASP A 19 1.123 -11.594 4.141 1.00 64.03 C ATOM 299 CG ASP A 19 0.793 -12.766 3.238 1.00 62.40 C ATOM 300 OD1 ASP A 19 1.324 -13.871 3.481 1.00 50.31 O ATOM 301 OD2 ASP A 19 0.003 -12.580 2.289 1.00 22.02 O ATOM 0 H ASP A 19 3.464 -10.803 3.657 1.00 2.31 H new ATOM 0 HA ASP A 19 0.878 -10.327 2.423 1.00 32.21 H new ATOM 0 HB2 ASP A 19 1.973 -11.853 4.772 1.00 64.03 H new ATOM 0 HB3 ASP A 19 0.280 -11.402 4.805 1.00 64.03 H new ATOM 306 N ALA A 20 1.911 -8.685 5.080 1.00 15.22 N ATOM 307 CA ALA A 20 1.645 -7.522 5.918 1.00 42.21 C ATOM 308 C ALA A 20 2.812 -7.246 6.860 1.00 63.01 C ATOM 309 O ALA A 20 3.407 -6.169 6.829 1.00 74.30 O ATOM 310 CB ALA A 20 0.362 -7.723 6.710 1.00 73.53 C ATOM 0 H ALA A 20 2.804 -9.142 5.263 1.00 15.22 H new ATOM 0 HA ALA A 20 1.524 -6.656 5.267 1.00 42.21 H new ATOM 0 HB1 ALA A 20 0.177 -6.847 7.331 1.00 73.53 H new ATOM 0 HB2 ALA A 20 -0.472 -7.863 6.022 1.00 73.53 H new ATOM 0 HB3 ALA A 20 0.461 -8.603 7.345 1.00 73.53 H new ATOM 316 N GLY A 21 3.135 -8.227 7.698 1.00 42.41 N ATOM 317 CA GLY A 21 4.230 -8.069 8.638 1.00 54.12 C ATOM 318 C GLY A 21 5.146 -9.276 8.668 1.00 2.12 C ATOM 319 O GLY A 21 5.909 -9.462 9.616 1.00 4.02 O ATOM 0 H GLY A 21 2.658 -9.128 7.743 1.00 42.41 H new ATOM 0 HA2 GLY A 21 4.808 -7.184 8.372 1.00 54.12 H new ATOM 0 HA3 GLY A 21 3.826 -7.898 9.636 1.00 54.12 H new ATOM 323 N LYS A 22 5.071 -10.100 7.629 1.00 71.21 N ATOM 324 CA LYS A 22 5.899 -11.297 7.539 1.00 5.41 C ATOM 325 C LYS A 22 7.345 -10.934 7.215 1.00 61.25 C ATOM 326 O LYS A 22 7.665 -10.572 6.082 1.00 31.01 O ATOM 327 CB LYS A 22 5.348 -12.245 6.472 1.00 43.22 C ATOM 328 CG LYS A 22 4.647 -13.464 7.045 1.00 52.10 C ATOM 329 CD LYS A 22 4.949 -14.714 6.235 1.00 2.51 C ATOM 330 CE LYS A 22 6.100 -15.504 6.839 1.00 73.21 C ATOM 331 NZ LYS A 22 7.113 -15.879 5.814 1.00 3.22 N ATOM 0 H LYS A 22 4.444 -9.961 6.836 1.00 71.21 H new ATOM 0 HA LYS A 22 5.876 -11.798 8.507 1.00 5.41 H new ATOM 0 HB2 LYS A 22 4.649 -11.699 5.839 1.00 43.22 H new ATOM 0 HB3 LYS A 22 6.167 -12.574 5.833 1.00 43.22 H new ATOM 0 HG2 LYS A 22 4.962 -13.614 8.078 1.00 52.10 H new ATOM 0 HG3 LYS A 22 3.571 -13.291 7.062 1.00 52.10 H new ATOM 0 HD2 LYS A 22 4.060 -15.342 6.188 1.00 2.51 H new ATOM 0 HD3 LYS A 22 5.196 -14.435 5.211 1.00 2.51 H new ATOM 0 HE2 LYS A 22 6.576 -14.912 7.621 1.00 73.21 H new ATOM 0 HE3 LYS A 22 5.712 -16.406 7.313 1.00 73.21 H new ATOM 0 HZ1 LYS A 22 7.881 -16.416 6.265 1.00 3.22 H new ATOM 0 HZ2 LYS A 22 6.665 -16.465 5.081 1.00 3.22 H new ATOM 0 HZ3 LYS A 22 7.502 -15.018 5.379 1.00 3.22 H new ATOM 345 N ASP A 23 8.214 -11.035 8.214 1.00 23.40 N ATOM 346 CA ASP A 23 9.627 -10.721 8.034 1.00 52.31 C ATOM 347 C ASP A 23 10.248 -11.606 6.958 1.00 20.54 C ATOM 348 O ASP A 23 10.633 -12.746 7.223 1.00 61.03 O ATOM 349 CB ASP A 23 10.382 -10.893 9.353 1.00 52.22 C ATOM 350 CG ASP A 23 9.611 -10.343 10.537 1.00 4.20 C ATOM 351 OD1 ASP A 23 9.660 -9.114 10.758 1.00 74.31 O ATOM 352 OD2 ASP A 23 8.960 -11.141 11.242 1.00 15.54 O ATOM 0 H ASP A 23 7.965 -11.332 9.158 1.00 23.40 H new ATOM 0 HA ASP A 23 9.705 -9.682 7.713 1.00 52.31 H new ATOM 0 HB2 ASP A 23 10.586 -11.951 9.516 1.00 52.22 H new ATOM 0 HB3 ASP A 23 11.346 -10.389 9.285 1.00 52.22 H new ATOM 357 N THR A 24 10.342 -11.076 5.743 1.00 0.31 N ATOM 358 CA THR A 24 10.914 -11.818 4.627 1.00 30.10 C ATOM 359 C THR A 24 12.102 -11.077 4.024 1.00 13.45 C ATOM 360 O THR A 24 12.052 -9.863 3.825 1.00 40.35 O ATOM 361 CB THR A 24 9.868 -12.070 3.525 1.00 52.02 C ATOM 362 OG1 THR A 24 8.781 -12.842 4.048 1.00 65.51 O ATOM 363 CG2 THR A 24 10.491 -12.797 2.343 1.00 22.31 C ATOM 0 H THR A 24 10.029 -10.134 5.507 1.00 0.31 H new ATOM 0 HA THR A 24 11.251 -12.776 5.024 1.00 30.10 H new ATOM 0 HB THR A 24 9.495 -11.105 3.182 1.00 52.02 H new ATOM 0 HG1 THR A 24 8.303 -12.318 4.725 1.00 65.51 H new ATOM 0 HG21 THR A 24 9.733 -12.964 1.578 1.00 22.31 H new ATOM 0 HG22 THR A 24 11.298 -12.193 1.929 1.00 22.31 H new ATOM 0 HG23 THR A 24 10.889 -13.756 2.674 1.00 22.31 H new ATOM 371 N PHE A 25 13.169 -11.814 3.736 1.00 2.32 N ATOM 372 CA PHE A 25 14.371 -11.225 3.156 1.00 33.21 C ATOM 373 C PHE A 25 14.403 -11.432 1.645 1.00 75.43 C ATOM 374 O PHE A 25 13.842 -12.400 1.128 1.00 11.53 O ATOM 375 CB PHE A 25 15.621 -11.835 3.792 1.00 23.43 C ATOM 376 CG PHE A 25 15.538 -11.951 5.288 1.00 52.35 C ATOM 377 CD1 PHE A 25 15.079 -10.891 6.053 1.00 51.12 C ATOM 378 CD2 PHE A 25 15.919 -13.119 5.928 1.00 51.12 C ATOM 379 CE1 PHE A 25 15.000 -10.994 7.429 1.00 44.20 C ATOM 380 CE2 PHE A 25 15.842 -13.228 7.303 1.00 3.24 C ATOM 381 CZ PHE A 25 15.384 -12.164 8.055 1.00 13.40 C ATOM 0 H PHE A 25 13.226 -12.820 3.894 1.00 2.32 H new ATOM 0 HA PHE A 25 14.355 -10.154 3.358 1.00 33.21 H new ATOM 0 HB2 PHE A 25 15.788 -12.825 3.368 1.00 23.43 H new ATOM 0 HB3 PHE A 25 16.486 -11.226 3.530 1.00 23.43 H new ATOM 0 HD1 PHE A 25 14.779 -9.973 5.568 1.00 51.12 H new ATOM 0 HD2 PHE A 25 16.280 -13.954 5.346 1.00 51.12 H new ATOM 0 HE1 PHE A 25 14.639 -10.161 8.014 1.00 44.20 H new ATOM 0 HE2 PHE A 25 16.140 -14.145 7.790 1.00 3.24 H new ATOM 0 HZ PHE A 25 15.326 -12.247 9.130 1.00 13.40 H new ATOM 391 N ILE A 26 15.061 -10.517 0.942 1.00 64.31 N ATOM 392 CA ILE A 26 15.167 -10.599 -0.510 1.00 30.45 C ATOM 393 C ILE A 26 16.391 -9.843 -1.015 1.00 73.14 C ATOM 394 O ILE A 26 16.665 -8.723 -0.583 1.00 61.43 O ATOM 395 CB ILE A 26 13.909 -10.037 -1.198 1.00 62.41 C ATOM 396 CG1 ILE A 26 13.947 -10.334 -2.699 1.00 20.23 C ATOM 397 CG2 ILE A 26 13.794 -8.541 -0.952 1.00 5.45 C ATOM 398 CD1 ILE A 26 13.552 -11.753 -3.044 1.00 53.11 C ATOM 0 H ILE A 26 15.529 -9.710 1.354 1.00 64.31 H new ATOM 0 HA ILE A 26 15.267 -11.655 -0.761 1.00 30.45 H new ATOM 0 HB ILE A 26 13.032 -10.524 -0.772 1.00 62.41 H new ATOM 0 HG12 ILE A 26 13.279 -9.644 -3.215 1.00 20.23 H new ATOM 0 HG13 ILE A 26 14.953 -10.144 -3.073 1.00 20.23 H new ATOM 0 HG21 ILE A 26 12.900 -8.159 -1.445 1.00 5.45 H new ATOM 0 HG22 ILE A 26 13.726 -8.353 0.119 1.00 5.45 H new ATOM 0 HG23 ILE A 26 14.673 -8.037 -1.354 1.00 5.45 H new ATOM 0 HD11 ILE A 26 13.602 -11.892 -4.124 1.00 53.11 H new ATOM 0 HD12 ILE A 26 14.234 -12.449 -2.557 1.00 53.11 H new ATOM 0 HD13 ILE A 26 12.535 -11.941 -2.700 1.00 53.11 H new ATOM 410 N LYS A 27 17.123 -10.462 -1.936 1.00 11.35 N ATOM 411 CA LYS A 27 18.317 -9.847 -2.504 1.00 75.14 C ATOM 412 C LYS A 27 17.957 -8.598 -3.303 1.00 64.32 C ATOM 413 O LYS A 27 16.783 -8.259 -3.450 1.00 73.32 O ATOM 414 CB LYS A 27 19.051 -10.846 -3.402 1.00 2.33 C ATOM 415 CG LYS A 27 19.272 -12.200 -2.751 1.00 22.13 C ATOM 416 CD LYS A 27 20.086 -13.122 -3.643 1.00 44.44 C ATOM 417 CE LYS A 27 20.611 -14.323 -2.873 1.00 23.32 C ATOM 418 NZ LYS A 27 22.036 -14.149 -2.476 1.00 40.24 N ATOM 0 H LYS A 27 16.910 -11.389 -2.305 1.00 11.35 H new ATOM 0 HA LYS A 27 18.972 -9.556 -1.683 1.00 75.14 H new ATOM 0 HB2 LYS A 27 18.481 -10.983 -4.321 1.00 2.33 H new ATOM 0 HB3 LYS A 27 20.016 -10.426 -3.685 1.00 2.33 H new ATOM 0 HG2 LYS A 27 19.785 -12.067 -1.799 1.00 22.13 H new ATOM 0 HG3 LYS A 27 18.309 -12.661 -2.532 1.00 22.13 H new ATOM 0 HD2 LYS A 27 19.469 -13.463 -4.474 1.00 44.44 H new ATOM 0 HD3 LYS A 27 20.922 -12.570 -4.072 1.00 44.44 H new ATOM 0 HE2 LYS A 27 20.002 -14.477 -1.982 1.00 23.32 H new ATOM 0 HE3 LYS A 27 20.512 -15.219 -3.486 1.00 23.32 H new ATOM 0 HZ1 LYS A 27 22.356 -14.989 -1.953 1.00 40.24 H new ATOM 0 HZ2 LYS A 27 22.621 -14.027 -3.327 1.00 40.24 H new ATOM 0 HZ3 LYS A 27 22.127 -13.309 -1.870 1.00 40.24 H new ATOM 432 N CYS A 28 18.976 -7.918 -3.819 1.00 31.12 N ATOM 433 CA CYS A 28 18.768 -6.707 -4.604 1.00 22.41 C ATOM 434 C CYS A 28 19.227 -6.909 -6.045 1.00 54.54 C ATOM 435 O CYS A 28 20.310 -6.482 -6.444 1.00 5.32 O ATOM 436 CB CYS A 28 19.521 -5.532 -3.977 1.00 24.41 C ATOM 437 SG CYS A 28 19.418 -5.468 -2.159 1.00 41.13 S ATOM 0 H CYS A 28 19.954 -8.185 -3.707 1.00 31.12 H new ATOM 0 HA CYS A 28 17.701 -6.485 -4.608 1.00 22.41 H new ATOM 0 HB2 CYS A 28 20.570 -5.589 -4.269 1.00 24.41 H new ATOM 0 HB3 CYS A 28 19.126 -4.602 -4.386 1.00 24.41 H new ATOM 442 N PRO A 29 18.382 -7.574 -6.847 1.00 61.22 N ATOM 443 CA PRO A 29 18.678 -7.847 -8.257 1.00 1.31 C ATOM 444 C PRO A 29 18.647 -6.583 -9.110 1.00 65.43 C ATOM 445 O PRO A 29 19.175 -6.560 -10.223 1.00 12.04 O ATOM 446 CB PRO A 29 17.558 -8.802 -8.676 1.00 62.41 C ATOM 447 CG PRO A 29 16.435 -8.502 -7.744 1.00 64.31 C ATOM 448 CD PRO A 29 17.073 -8.112 -6.440 1.00 2.34 C ATOM 0 HA PRO A 29 19.679 -8.257 -8.392 1.00 1.31 H new ATOM 0 HB2 PRO A 29 17.266 -8.638 -9.713 1.00 62.41 H new ATOM 0 HB3 PRO A 29 17.873 -9.842 -8.594 1.00 62.41 H new ATOM 0 HG2 PRO A 29 15.812 -7.695 -8.130 1.00 64.31 H new ATOM 0 HG3 PRO A 29 15.789 -9.371 -7.618 1.00 64.31 H new ATOM 0 HD2 PRO A 29 16.480 -7.367 -5.910 1.00 2.34 H new ATOM 0 HD3 PRO A 29 17.180 -8.968 -5.773 1.00 2.34 H new ATOM 456 N LYS A 30 18.027 -5.533 -8.583 1.00 22.52 N ATOM 457 CA LYS A 30 17.929 -4.265 -9.295 1.00 11.12 C ATOM 458 C LYS A 30 19.314 -3.693 -9.581 1.00 14.34 C ATOM 459 O LYS A 30 19.721 -3.575 -10.736 1.00 41.24 O ATOM 460 CB LYS A 30 17.109 -3.262 -8.481 1.00 11.45 C ATOM 461 CG LYS A 30 15.909 -2.707 -9.229 1.00 21.12 C ATOM 462 CD LYS A 30 16.334 -1.904 -10.447 1.00 70.51 C ATOM 463 CE LYS A 30 15.132 -1.342 -11.191 1.00 63.51 C ATOM 464 NZ LYS A 30 15.505 -0.187 -12.053 1.00 55.32 N ATOM 0 H LYS A 30 17.584 -5.535 -7.664 1.00 22.52 H new ATOM 0 HA LYS A 30 17.428 -4.448 -10.245 1.00 11.12 H new ATOM 0 HB2 LYS A 30 16.765 -3.745 -7.566 1.00 11.45 H new ATOM 0 HB3 LYS A 30 17.754 -2.436 -8.182 1.00 11.45 H new ATOM 0 HG2 LYS A 30 15.262 -3.527 -9.540 1.00 21.12 H new ATOM 0 HG3 LYS A 30 15.323 -2.075 -8.561 1.00 21.12 H new ATOM 0 HD2 LYS A 30 16.986 -1.087 -10.136 1.00 70.51 H new ATOM 0 HD3 LYS A 30 16.915 -2.538 -11.117 1.00 70.51 H new ATOM 0 HE2 LYS A 30 14.686 -2.125 -11.805 1.00 63.51 H new ATOM 0 HE3 LYS A 30 14.374 -1.030 -10.473 1.00 63.51 H new ATOM 0 HZ1 LYS A 30 14.659 0.168 -12.543 1.00 55.32 H new ATOM 0 HZ2 LYS A 30 15.907 0.570 -11.464 1.00 55.32 H new ATOM 0 HZ3 LYS A 30 16.210 -0.491 -12.755 1.00 55.32 H new ATOM 478 N PHE A 31 20.033 -3.340 -8.521 1.00 4.13 N ATOM 479 CA PHE A 31 21.373 -2.780 -8.658 1.00 60.50 C ATOM 480 C PHE A 31 22.434 -3.809 -8.277 1.00 33.04 C ATOM 481 O PHE A 31 22.810 -3.926 -7.110 1.00 53.51 O ATOM 482 CB PHE A 31 21.520 -1.532 -7.785 1.00 74.41 C ATOM 483 CG PHE A 31 20.214 -0.851 -7.490 1.00 2.22 C ATOM 484 CD1 PHE A 31 19.762 0.186 -8.290 1.00 61.11 C ATOM 485 CD2 PHE A 31 19.439 -1.246 -6.411 1.00 63.54 C ATOM 486 CE1 PHE A 31 18.561 0.815 -8.021 1.00 41.14 C ATOM 487 CE2 PHE A 31 18.237 -0.621 -6.138 1.00 64.41 C ATOM 488 CZ PHE A 31 17.798 0.411 -6.943 1.00 43.42 C ATOM 0 H PHE A 31 19.711 -3.432 -7.558 1.00 4.13 H new ATOM 0 HA PHE A 31 21.519 -2.503 -9.702 1.00 60.50 H new ATOM 0 HB2 PHE A 31 21.997 -1.810 -6.845 1.00 74.41 H new ATOM 0 HB3 PHE A 31 22.185 -0.826 -8.283 1.00 74.41 H new ATOM 0 HD1 PHE A 31 20.355 0.507 -9.134 1.00 61.11 H new ATOM 0 HD2 PHE A 31 19.778 -2.051 -5.776 1.00 63.54 H new ATOM 0 HE1 PHE A 31 18.220 1.621 -8.653 1.00 41.14 H new ATOM 0 HE2 PHE A 31 17.641 -0.940 -5.295 1.00 64.41 H new ATOM 0 HZ PHE A 31 16.860 0.902 -6.730 1.00 43.42 H new ATOM 498 N ASP A 32 22.911 -4.553 -9.268 1.00 41.13 N ATOM 499 CA ASP A 32 23.929 -5.572 -9.038 1.00 53.12 C ATOM 500 C ASP A 32 25.265 -4.933 -8.672 1.00 14.21 C ATOM 501 O ASP A 32 26.188 -5.613 -8.227 1.00 71.20 O ATOM 502 CB ASP A 32 24.092 -6.449 -10.280 1.00 64.23 C ATOM 503 CG ASP A 32 24.193 -5.635 -11.555 1.00 52.21 C ATOM 504 OD1 ASP A 32 23.145 -5.400 -12.193 1.00 42.44 O ATOM 505 OD2 ASP A 32 25.319 -5.232 -11.914 1.00 53.12 O ATOM 0 H ASP A 32 22.609 -4.470 -10.239 1.00 41.13 H new ATOM 0 HA ASP A 32 23.604 -6.194 -8.204 1.00 53.12 H new ATOM 0 HB2 ASP A 32 24.986 -7.063 -10.173 1.00 64.23 H new ATOM 0 HB3 ASP A 32 23.244 -7.130 -10.354 1.00 64.23 H new ATOM 510 N ASN A 33 25.360 -3.621 -8.864 1.00 15.05 N ATOM 511 CA ASN A 33 26.583 -2.890 -8.555 1.00 22.11 C ATOM 512 C ASN A 33 26.374 -1.956 -7.367 1.00 51.31 C ATOM 513 O ASN A 33 27.325 -1.585 -6.679 1.00 43.43 O ATOM 514 CB ASN A 33 27.044 -2.088 -9.774 1.00 23.33 C ATOM 515 CG ASN A 33 28.388 -2.556 -10.299 1.00 31.02 C ATOM 516 OD1 ASN A 33 29.284 -1.750 -10.550 1.00 55.42 O ATOM 517 ND2 ASN A 33 28.534 -3.865 -10.467 1.00 70.13 N ATOM 0 H ASN A 33 24.605 -3.043 -9.232 1.00 15.05 H new ATOM 0 HA ASN A 33 27.353 -3.615 -8.293 1.00 22.11 H new ATOM 0 HB2 ASN A 33 26.298 -2.173 -10.565 1.00 23.33 H new ATOM 0 HB3 ASN A 33 27.108 -1.033 -9.508 1.00 23.33 H new ATOM 0 HD21 ASN A 33 29.416 -4.239 -10.817 1.00 70.13 H new ATOM 0 HD22 ASN A 33 27.764 -4.497 -10.246 1.00 70.13 H new ATOM 524 N LYS A 34 25.122 -1.579 -7.131 1.00 73.22 N ATOM 525 CA LYS A 34 24.785 -0.690 -6.026 1.00 10.11 C ATOM 526 C LYS A 34 23.816 -1.365 -5.061 1.00 14.45 C ATOM 527 O LYS A 34 22.951 -0.712 -4.475 1.00 71.23 O ATOM 528 CB LYS A 34 24.172 0.608 -6.557 1.00 30.10 C ATOM 529 CG LYS A 34 25.151 1.468 -7.338 1.00 33.05 C ATOM 530 CD LYS A 34 26.282 1.967 -6.454 1.00 62.44 C ATOM 531 CE LYS A 34 26.487 3.466 -6.605 1.00 1.24 C ATOM 532 NZ LYS A 34 27.482 3.787 -7.665 1.00 71.45 N ATOM 0 H LYS A 34 24.323 -1.876 -7.691 1.00 73.22 H new ATOM 0 HA LYS A 34 25.703 -0.457 -5.487 1.00 10.11 H new ATOM 0 HB2 LYS A 34 23.324 0.364 -7.197 1.00 30.10 H new ATOM 0 HB3 LYS A 34 23.782 1.186 -5.719 1.00 30.10 H new ATOM 0 HG2 LYS A 34 25.563 0.892 -8.167 1.00 33.05 H new ATOM 0 HG3 LYS A 34 24.624 2.318 -7.772 1.00 33.05 H new ATOM 0 HD2 LYS A 34 26.062 1.732 -5.413 1.00 62.44 H new ATOM 0 HD3 LYS A 34 27.204 1.445 -6.711 1.00 62.44 H new ATOM 0 HE2 LYS A 34 25.535 3.940 -6.845 1.00 1.24 H new ATOM 0 HE3 LYS A 34 26.821 3.884 -5.655 1.00 1.24 H new ATOM 0 HZ1 LYS A 34 27.593 4.819 -7.736 1.00 71.45 H new ATOM 0 HZ2 LYS A 34 28.397 3.356 -7.424 1.00 71.45 H new ATOM 0 HZ3 LYS A 34 27.152 3.411 -8.577 1.00 71.45 H new ATOM 546 N LYS A 35 23.966 -2.675 -4.897 1.00 42.43 N ATOM 547 CA LYS A 35 23.106 -3.438 -4.001 1.00 25.22 C ATOM 548 C LYS A 35 23.375 -3.070 -2.545 1.00 61.40 C ATOM 549 O LYS A 35 24.299 -2.314 -2.246 1.00 3.35 O ATOM 550 CB LYS A 35 23.324 -4.939 -4.207 1.00 43.23 C ATOM 551 CG LYS A 35 24.769 -5.374 -4.030 1.00 53.11 C ATOM 552 CD LYS A 35 25.119 -6.532 -4.950 1.00 2.43 C ATOM 553 CE LYS A 35 26.623 -6.654 -5.144 1.00 12.32 C ATOM 554 NZ LYS A 35 27.123 -8.004 -4.764 1.00 42.14 N ATOM 0 H LYS A 35 24.676 -3.231 -5.374 1.00 42.43 H new ATOM 0 HA LYS A 35 22.070 -3.192 -4.235 1.00 25.22 H new ATOM 0 HB2 LYS A 35 22.699 -5.488 -3.503 1.00 43.23 H new ATOM 0 HB3 LYS A 35 22.991 -5.212 -5.208 1.00 43.23 H new ATOM 0 HG2 LYS A 35 25.431 -4.533 -4.235 1.00 53.11 H new ATOM 0 HG3 LYS A 35 24.937 -5.667 -2.994 1.00 53.11 H new ATOM 0 HD2 LYS A 35 24.728 -7.460 -4.533 1.00 2.43 H new ATOM 0 HD3 LYS A 35 24.637 -6.389 -5.917 1.00 2.43 H new ATOM 0 HE2 LYS A 35 26.872 -6.454 -6.186 1.00 12.32 H new ATOM 0 HE3 LYS A 35 27.129 -5.897 -4.545 1.00 12.32 H new ATOM 0 HZ1 LYS A 35 28.152 -8.047 -4.910 1.00 42.14 H new ATOM 0 HZ2 LYS A 35 26.908 -8.185 -3.763 1.00 42.14 H new ATOM 0 HZ3 LYS A 35 26.659 -8.725 -5.353 1.00 42.14 H new ATOM 568 N CYS A 36 22.563 -3.611 -1.643 1.00 72.42 N ATOM 569 CA CYS A 36 22.713 -3.341 -0.218 1.00 71.45 C ATOM 570 C CYS A 36 24.091 -3.774 0.275 1.00 52.52 C ATOM 571 O CYS A 36 24.436 -4.955 0.233 1.00 71.01 O ATOM 572 CB CYS A 36 21.624 -4.065 0.577 1.00 64.14 C ATOM 573 SG CYS A 36 20.055 -3.148 0.694 1.00 40.41 S ATOM 0 H CYS A 36 21.794 -4.240 -1.874 1.00 72.42 H new ATOM 0 HA CYS A 36 22.612 -2.267 -0.064 1.00 71.45 H new ATOM 0 HB2 CYS A 36 21.433 -5.033 0.113 1.00 64.14 H new ATOM 0 HB3 CYS A 36 21.994 -4.261 1.583 1.00 64.14 H new ATOM 578 N THR A 37 24.876 -2.808 0.743 1.00 54.22 N ATOM 579 CA THR A 37 26.216 -3.087 1.243 1.00 15.14 C ATOM 580 C THR A 37 26.410 -2.515 2.643 1.00 32.31 C ATOM 581 O THR A 37 27.537 -2.391 3.123 1.00 15.54 O ATOM 582 CB THR A 37 27.296 -2.508 0.310 1.00 13.13 C ATOM 583 OG1 THR A 37 27.092 -1.101 0.139 1.00 4.13 O ATOM 584 CG2 THR A 37 27.267 -3.198 -1.045 1.00 75.11 C ATOM 0 H THR A 37 24.606 -1.825 0.786 1.00 54.22 H new ATOM 0 HA THR A 37 26.321 -4.171 1.278 1.00 15.14 H new ATOM 0 HB THR A 37 28.270 -2.681 0.767 1.00 13.13 H new ATOM 0 HG1 THR A 37 27.784 -0.740 -0.454 1.00 4.13 H new ATOM 0 HG21 THR A 37 28.038 -2.772 -1.687 1.00 75.11 H new ATOM 0 HG22 THR A 37 27.451 -4.264 -0.914 1.00 75.11 H new ATOM 0 HG23 THR A 37 26.290 -3.053 -1.507 1.00 75.11 H new ATOM 592 N LYS A 38 25.305 -2.170 3.295 1.00 55.45 N ATOM 593 CA LYS A 38 25.352 -1.613 4.641 1.00 1.42 C ATOM 594 C LYS A 38 24.432 -2.384 5.582 1.00 61.21 C ATOM 595 O LYS A 38 23.517 -3.079 5.139 1.00 2.10 O ATOM 596 CB LYS A 38 24.953 -0.135 4.619 1.00 63.33 C ATOM 597 CG LYS A 38 26.030 0.794 5.151 1.00 24.45 C ATOM 598 CD LYS A 38 27.302 0.706 4.324 1.00 55.54 C ATOM 599 CE LYS A 38 27.165 1.463 3.011 1.00 32.01 C ATOM 600 NZ LYS A 38 28.128 2.595 2.921 1.00 51.33 N ATOM 0 H LYS A 38 24.365 -2.267 2.912 1.00 55.45 H new ATOM 0 HA LYS A 38 26.375 -1.702 5.007 1.00 1.42 H new ATOM 0 HB2 LYS A 38 24.711 0.152 3.596 1.00 63.33 H new ATOM 0 HB3 LYS A 38 24.047 -0.003 5.210 1.00 63.33 H new ATOM 0 HG2 LYS A 38 25.662 1.820 5.145 1.00 24.45 H new ATOM 0 HG3 LYS A 38 26.251 0.540 6.188 1.00 24.45 H new ATOM 0 HD2 LYS A 38 28.137 1.112 4.894 1.00 55.54 H new ATOM 0 HD3 LYS A 38 27.534 -0.339 4.120 1.00 55.54 H new ATOM 0 HE2 LYS A 38 27.330 0.779 2.178 1.00 32.01 H new ATOM 0 HE3 LYS A 38 26.148 1.843 2.915 1.00 32.01 H new ATOM 0 HZ1 LYS A 38 28.003 3.086 2.012 1.00 51.33 H new ATOM 0 HZ2 LYS A 38 27.955 3.261 3.701 1.00 51.33 H new ATOM 0 HZ3 LYS A 38 29.100 2.230 2.987 1.00 51.33 H new ATOM 614 N ASP A 39 24.680 -2.256 6.881 1.00 73.33 N ATOM 615 CA ASP A 39 23.872 -2.940 7.884 1.00 14.41 C ATOM 616 C ASP A 39 22.717 -2.056 8.346 1.00 5.34 C ATOM 617 O ASP A 39 22.927 -0.932 8.800 1.00 40.51 O ATOM 618 CB ASP A 39 24.736 -3.338 9.081 1.00 22.30 C ATOM 619 CG ASP A 39 25.661 -4.498 8.767 1.00 52.03 C ATOM 620 OD1 ASP A 39 26.775 -4.538 9.329 1.00 22.24 O ATOM 621 OD2 ASP A 39 25.270 -5.366 7.959 1.00 53.23 O ATOM 0 H ASP A 39 25.434 -1.685 7.264 1.00 73.33 H new ATOM 0 HA ASP A 39 23.458 -3.840 7.430 1.00 14.41 H new ATOM 0 HB2 ASP A 39 25.329 -2.480 9.399 1.00 22.30 H new ATOM 0 HB3 ASP A 39 24.091 -3.607 9.917 1.00 22.30 H new ATOM 626 N ASN A 40 21.499 -2.572 8.227 1.00 74.10 N ATOM 627 CA ASN A 40 20.311 -1.829 8.631 1.00 13.22 C ATOM 628 C ASN A 40 20.160 -0.554 7.807 1.00 71.04 C ATOM 629 O ASN A 40 19.778 0.493 8.328 1.00 25.10 O ATOM 630 CB ASN A 40 20.383 -1.481 10.119 1.00 31.45 C ATOM 631 CG ASN A 40 20.947 -2.617 10.951 1.00 4.35 C ATOM 632 OD1 ASN A 40 20.399 -3.719 10.971 1.00 44.12 O ATOM 633 ND2 ASN A 40 22.049 -2.351 11.644 1.00 33.35 N ATOM 0 H ASN A 40 21.308 -3.502 7.854 1.00 74.10 H new ATOM 0 HA ASN A 40 19.441 -2.461 8.454 1.00 13.22 H new ATOM 0 HB2 ASN A 40 21.002 -0.594 10.253 1.00 31.45 H new ATOM 0 HB3 ASN A 40 19.385 -1.230 10.480 1.00 31.45 H new ATOM 0 HD21 ASN A 40 22.475 -3.075 12.223 1.00 33.35 H new ATOM 0 HD22 ASN A 40 22.469 -1.423 11.597 1.00 33.35 H new ATOM 640 N ASN A 41 20.462 -0.651 6.516 1.00 73.51 N ATOM 641 CA ASN A 41 20.360 0.494 5.619 1.00 72.34 C ATOM 642 C ASN A 41 18.906 0.763 5.243 1.00 72.41 C ATOM 643 O ASN A 41 17.986 0.180 5.818 1.00 61.23 O ATOM 644 CB ASN A 41 21.189 0.253 4.355 1.00 13.42 C ATOM 645 CG ASN A 41 20.710 -0.953 3.570 1.00 0.34 C ATOM 646 OD1 ASN A 41 19.694 -0.893 2.877 1.00 22.05 O ATOM 647 ND2 ASN A 41 21.442 -2.056 3.676 1.00 12.33 N ATOM 0 H ASN A 41 20.779 -1.511 6.068 1.00 73.51 H new ATOM 0 HA ASN A 41 20.750 1.368 6.140 1.00 72.34 H new ATOM 0 HB2 ASN A 41 21.144 1.138 3.720 1.00 13.42 H new ATOM 0 HB3 ASN A 41 22.234 0.112 4.631 1.00 13.42 H new ATOM 0 HD21 ASN A 41 21.170 -2.899 3.171 1.00 12.33 H new ATOM 0 HD22 ASN A 41 22.277 -2.060 4.262 1.00 12.33 H new ATOM 654 N LYS A 42 18.705 1.649 4.274 1.00 42.04 N ATOM 655 CA LYS A 42 17.364 1.995 3.818 1.00 10.12 C ATOM 656 C LYS A 42 17.066 1.354 2.466 1.00 1.34 C ATOM 657 O LYS A 42 17.645 1.732 1.448 1.00 43.34 O ATOM 658 CB LYS A 42 17.213 3.515 3.718 1.00 23.24 C ATOM 659 CG LYS A 42 17.777 4.262 4.915 1.00 72.22 C ATOM 660 CD LYS A 42 17.401 5.734 4.881 1.00 34.40 C ATOM 661 CE LYS A 42 18.563 6.595 4.413 1.00 40.43 C ATOM 662 NZ LYS A 42 18.806 6.452 2.950 1.00 30.15 N ATOM 0 H LYS A 42 19.455 2.141 3.789 1.00 42.04 H new ATOM 0 HA LYS A 42 16.650 1.612 4.547 1.00 10.12 H new ATOM 0 HB2 LYS A 42 17.714 3.863 2.814 1.00 23.24 H new ATOM 0 HB3 LYS A 42 16.156 3.761 3.612 1.00 23.24 H new ATOM 0 HG2 LYS A 42 17.404 3.811 5.835 1.00 72.22 H new ATOM 0 HG3 LYS A 42 18.862 4.163 4.929 1.00 72.22 H new ATOM 0 HD2 LYS A 42 16.549 5.878 4.216 1.00 34.40 H new ATOM 0 HD3 LYS A 42 17.087 6.054 5.875 1.00 34.40 H new ATOM 0 HE2 LYS A 42 18.358 7.640 4.647 1.00 40.43 H new ATOM 0 HE3 LYS A 42 19.464 6.317 4.960 1.00 40.43 H new ATOM 0 HZ1 LYS A 42 19.525 7.140 2.649 1.00 30.15 H new ATOM 0 HZ2 LYS A 42 19.142 5.489 2.746 1.00 30.15 H new ATOM 0 HZ3 LYS A 42 17.921 6.627 2.432 1.00 30.15 H new ATOM 676 N CYS A 43 16.159 0.384 2.464 1.00 33.41 N ATOM 677 CA CYS A 43 15.783 -0.309 1.238 1.00 74.32 C ATOM 678 C CYS A 43 14.294 -0.647 1.238 1.00 4.31 C ATOM 679 O CYS A 43 13.733 -1.032 2.264 1.00 2.25 O ATOM 680 CB CYS A 43 16.607 -1.588 1.077 1.00 74.33 C ATOM 681 SG CYS A 43 16.180 -2.902 2.265 1.00 44.03 S ATOM 0 H CYS A 43 15.670 0.060 3.298 1.00 33.41 H new ATOM 0 HA CYS A 43 15.987 0.355 0.398 1.00 74.32 H new ATOM 0 HB2 CYS A 43 16.472 -1.970 0.065 1.00 74.33 H new ATOM 0 HB3 CYS A 43 17.663 -1.343 1.187 1.00 74.33 H new ATOM 686 N THR A 44 13.660 -0.499 0.079 1.00 35.53 N ATOM 687 CA THR A 44 12.237 -0.787 -0.055 1.00 21.21 C ATOM 688 C THR A 44 11.983 -1.801 -1.165 1.00 5.13 C ATOM 689 O THR A 44 12.599 -1.738 -2.229 1.00 71.21 O ATOM 690 CB THR A 44 11.431 0.492 -0.349 1.00 74.32 C ATOM 691 OG1 THR A 44 11.898 1.098 -1.559 1.00 72.14 O ATOM 692 CG2 THR A 44 11.549 1.483 0.799 1.00 65.40 C ATOM 0 H THR A 44 14.109 -0.182 -0.780 1.00 35.53 H new ATOM 0 HA THR A 44 11.908 -1.205 0.897 1.00 21.21 H new ATOM 0 HB THR A 44 10.383 0.216 -0.462 1.00 74.32 H new ATOM 0 HG1 THR A 44 11.379 1.910 -1.740 1.00 72.14 H new ATOM 0 HG21 THR A 44 10.971 2.378 0.568 1.00 65.40 H new ATOM 0 HG22 THR A 44 11.165 1.029 1.712 1.00 65.40 H new ATOM 0 HG23 THR A 44 12.595 1.753 0.940 1.00 65.40 H new ATOM 700 N VAL A 45 11.073 -2.735 -0.910 1.00 33.01 N ATOM 701 CA VAL A 45 10.736 -3.762 -1.889 1.00 1.22 C ATOM 702 C VAL A 45 9.499 -3.373 -2.690 1.00 14.03 C ATOM 703 O VAL A 45 8.490 -2.947 -2.126 1.00 63.10 O ATOM 704 CB VAL A 45 10.489 -5.123 -1.212 1.00 24.20 C ATOM 705 CG1 VAL A 45 10.084 -6.166 -2.242 1.00 63.32 C ATOM 706 CG2 VAL A 45 11.726 -5.569 -0.447 1.00 63.52 C ATOM 0 H VAL A 45 10.556 -2.802 -0.034 1.00 33.01 H new ATOM 0 HA VAL A 45 11.589 -3.849 -2.563 1.00 1.22 H new ATOM 0 HB VAL A 45 9.670 -5.013 -0.501 1.00 24.20 H new ATOM 0 HG11 VAL A 45 9.914 -7.121 -1.745 1.00 63.32 H new ATOM 0 HG12 VAL A 45 9.168 -5.848 -2.741 1.00 63.32 H new ATOM 0 HG13 VAL A 45 10.879 -6.277 -2.979 1.00 63.32 H new ATOM 0 HG21 VAL A 45 11.534 -6.532 0.025 1.00 63.52 H new ATOM 0 HG22 VAL A 45 12.565 -5.663 -1.136 1.00 63.52 H new ATOM 0 HG23 VAL A 45 11.966 -4.831 0.319 1.00 63.52 H new ATOM 716 N ASP A 46 9.582 -3.523 -4.007 1.00 1.20 N ATOM 717 CA ASP A 46 8.468 -3.189 -4.887 1.00 10.13 C ATOM 718 C ASP A 46 7.985 -4.422 -5.644 1.00 33.15 C ATOM 719 O ASP A 46 8.441 -4.702 -6.753 1.00 32.13 O ATOM 720 CB ASP A 46 8.881 -2.097 -5.876 1.00 35.55 C ATOM 721 CG ASP A 46 8.166 -0.785 -5.621 1.00 34.12 C ATOM 722 OD1 ASP A 46 6.922 -0.800 -5.502 1.00 3.42 O ATOM 723 OD2 ASP A 46 8.849 0.256 -5.540 1.00 4.55 O ATOM 0 H ASP A 46 10.409 -3.874 -4.489 1.00 1.20 H new ATOM 0 HA ASP A 46 7.649 -2.819 -4.271 1.00 10.13 H new ATOM 0 HB2 ASP A 46 9.958 -1.940 -5.810 1.00 35.55 H new ATOM 0 HB3 ASP A 46 8.669 -2.432 -6.892 1.00 35.55 H new ATOM 728 N THR A 47 7.059 -5.158 -5.036 1.00 53.23 N ATOM 729 CA THR A 47 6.515 -6.362 -5.651 1.00 60.21 C ATOM 730 C THR A 47 5.759 -6.032 -6.933 1.00 43.11 C ATOM 731 O THR A 47 5.476 -6.915 -7.743 1.00 51.21 O ATOM 732 CB THR A 47 5.570 -7.107 -4.689 1.00 2.30 C ATOM 733 OG1 THR A 47 4.429 -6.293 -4.395 1.00 42.24 O ATOM 734 CG2 THR A 47 6.288 -7.468 -3.397 1.00 51.42 C ATOM 0 H THR A 47 6.671 -4.941 -4.118 1.00 53.23 H new ATOM 0 HA THR A 47 7.362 -7.006 -5.888 1.00 60.21 H new ATOM 0 HB THR A 47 5.244 -8.027 -5.175 1.00 2.30 H new ATOM 0 HG1 THR A 47 3.832 -6.774 -3.784 1.00 42.24 H new ATOM 0 HG21 THR A 47 5.601 -7.993 -2.733 1.00 51.42 H new ATOM 0 HG22 THR A 47 7.139 -8.111 -3.621 1.00 51.42 H new ATOM 0 HG23 THR A 47 6.639 -6.559 -2.910 1.00 51.42 H new ATOM 742 N TYR A 48 5.436 -4.756 -7.112 1.00 2.13 N ATOM 743 CA TYR A 48 4.711 -4.309 -8.295 1.00 64.54 C ATOM 744 C TYR A 48 5.393 -4.800 -9.569 1.00 70.50 C ATOM 745 O TYR A 48 4.731 -5.165 -10.539 1.00 72.34 O ATOM 746 CB TYR A 48 4.612 -2.783 -8.313 1.00 31.22 C ATOM 747 CG TYR A 48 3.591 -2.254 -9.294 1.00 75.11 C ATOM 748 CD1 TYR A 48 2.230 -2.430 -9.073 1.00 70.12 C ATOM 749 CD2 TYR A 48 3.986 -1.579 -10.442 1.00 74.35 C ATOM 750 CE1 TYR A 48 1.293 -1.949 -9.967 1.00 60.12 C ATOM 751 CE2 TYR A 48 3.056 -1.094 -11.341 1.00 53.42 C ATOM 752 CZ TYR A 48 1.711 -1.281 -11.099 1.00 72.23 C ATOM 753 OH TYR A 48 0.781 -0.800 -11.993 1.00 24.11 O ATOM 0 H TYR A 48 5.665 -4.013 -6.452 1.00 2.13 H new ATOM 0 HA TYR A 48 3.707 -4.731 -8.255 1.00 64.54 H new ATOM 0 HB2 TYR A 48 4.358 -2.432 -7.313 1.00 31.22 H new ATOM 0 HB3 TYR A 48 5.589 -2.367 -8.559 1.00 31.22 H new ATOM 0 HD1 TYR A 48 1.899 -2.952 -8.187 1.00 70.12 H new ATOM 0 HD2 TYR A 48 5.038 -1.431 -10.635 1.00 74.35 H new ATOM 0 HE1 TYR A 48 0.239 -2.095 -9.781 1.00 60.12 H new ATOM 0 HE2 TYR A 48 3.380 -0.571 -12.229 1.00 53.42 H new ATOM 0 HH TYR A 48 1.241 -0.354 -12.735 1.00 24.11 H new ATOM 763 N ASN A 49 6.722 -4.807 -9.556 1.00 50.33 N ATOM 764 CA ASN A 49 7.495 -5.253 -10.710 1.00 3.34 C ATOM 765 C ASN A 49 8.816 -5.877 -10.270 1.00 43.14 C ATOM 766 O ASN A 49 9.773 -5.937 -11.042 1.00 12.34 O ATOM 767 CB ASN A 49 7.762 -4.080 -11.655 1.00 71.15 C ATOM 768 CG ASN A 49 8.853 -3.160 -11.143 1.00 23.42 C ATOM 769 OD1 ASN A 49 9.920 -3.048 -11.747 1.00 22.03 O ATOM 770 ND2 ASN A 49 8.590 -2.497 -10.023 1.00 21.11 N ATOM 0 H ASN A 49 7.286 -4.509 -8.760 1.00 50.33 H new ATOM 0 HA ASN A 49 6.913 -6.010 -11.236 1.00 3.34 H new ATOM 0 HB2 ASN A 49 8.045 -4.464 -12.635 1.00 71.15 H new ATOM 0 HB3 ASN A 49 6.843 -3.509 -11.790 1.00 71.15 H new ATOM 0 HD21 ASN A 49 9.286 -1.864 -9.630 1.00 21.11 H new ATOM 0 HD22 ASN A 49 7.692 -2.621 -9.556 1.00 21.11 H new ATOM 777 N ASN A 50 8.860 -6.341 -9.026 1.00 23.03 N ATOM 778 CA ASN A 50 10.064 -6.961 -8.483 1.00 52.03 C ATOM 779 C ASN A 50 11.279 -6.061 -8.688 1.00 72.30 C ATOM 780 O ASN A 50 11.981 -6.169 -9.693 1.00 3.14 O ATOM 781 CB ASN A 50 10.304 -8.320 -9.144 1.00 24.04 C ATOM 782 CG ASN A 50 11.389 -9.118 -8.446 1.00 33.15 C ATOM 783 OD1 ASN A 50 11.365 -9.283 -7.226 1.00 25.32 O ATOM 784 ND2 ASN A 50 12.346 -9.617 -9.219 1.00 21.45 N ATOM 0 H ASN A 50 8.076 -6.300 -8.374 1.00 23.03 H new ATOM 0 HA ASN A 50 9.918 -7.105 -7.413 1.00 52.03 H new ATOM 0 HB2 ASN A 50 9.376 -8.892 -9.140 1.00 24.04 H new ATOM 0 HB3 ASN A 50 10.581 -8.170 -10.187 1.00 24.04 H new ATOM 0 HD21 ASN A 50 13.102 -10.163 -8.806 1.00 21.45 H new ATOM 0 HD22 ASN A 50 12.325 -9.455 -10.226 1.00 21.45 H new ATOM 791 N ALA A 51 11.520 -5.174 -7.728 1.00 20.50 N ATOM 792 CA ALA A 51 12.651 -4.258 -7.801 1.00 61.03 C ATOM 793 C ALA A 51 12.854 -3.529 -6.477 1.00 54.14 C ATOM 794 O ALA A 51 12.109 -2.607 -6.144 1.00 74.23 O ATOM 795 CB ALA A 51 12.448 -3.259 -8.931 1.00 4.23 C ATOM 0 H ALA A 51 10.947 -5.071 -6.891 1.00 20.50 H new ATOM 0 HA ALA A 51 13.548 -4.843 -8.004 1.00 61.03 H new ATOM 0 HB1 ALA A 51 13.300 -2.581 -8.974 1.00 4.23 H new ATOM 0 HB2 ALA A 51 12.361 -3.793 -9.877 1.00 4.23 H new ATOM 0 HB3 ALA A 51 11.538 -2.687 -8.752 1.00 4.23 H new ATOM 801 N VAL A 52 13.866 -3.948 -5.725 1.00 21.20 N ATOM 802 CA VAL A 52 14.167 -3.335 -4.437 1.00 52.40 C ATOM 803 C VAL A 52 14.940 -2.033 -4.616 1.00 23.05 C ATOM 804 O VAL A 52 15.544 -1.796 -5.662 1.00 71.21 O ATOM 805 CB VAL A 52 14.982 -4.284 -3.539 1.00 60.45 C ATOM 806 CG1 VAL A 52 16.432 -4.337 -3.996 1.00 21.22 C ATOM 807 CG2 VAL A 52 14.888 -3.853 -2.084 1.00 11.12 C ATOM 0 H VAL A 52 14.492 -4.710 -5.986 1.00 21.20 H new ATOM 0 HA VAL A 52 13.212 -3.125 -3.956 1.00 52.40 H new ATOM 0 HB VAL A 52 14.562 -5.286 -3.624 1.00 60.45 H new ATOM 0 HG11 VAL A 52 16.993 -5.012 -3.350 1.00 21.22 H new ATOM 0 HG12 VAL A 52 16.477 -4.697 -5.024 1.00 21.22 H new ATOM 0 HG13 VAL A 52 16.867 -3.339 -3.942 1.00 21.22 H new ATOM 0 HG21 VAL A 52 15.470 -4.535 -1.464 1.00 11.12 H new ATOM 0 HG22 VAL A 52 15.281 -2.842 -1.978 1.00 11.12 H new ATOM 0 HG23 VAL A 52 13.846 -3.873 -1.765 1.00 11.12 H new ATOM 817 N ASP A 53 14.918 -1.193 -3.587 1.00 42.51 N ATOM 818 CA ASP A 53 15.619 0.086 -3.629 1.00 60.31 C ATOM 819 C ASP A 53 16.788 0.097 -2.649 1.00 60.10 C ATOM 820 O ASP A 53 16.895 0.986 -1.804 1.00 1.11 O ATOM 821 CB ASP A 53 14.657 1.230 -3.307 1.00 54.04 C ATOM 822 CG ASP A 53 13.868 1.682 -4.521 1.00 31.32 C ATOM 823 OD1 ASP A 53 12.656 1.947 -4.376 1.00 41.30 O ATOM 824 OD2 ASP A 53 14.463 1.770 -5.615 1.00 53.31 O ATOM 0 H ASP A 53 14.423 -1.374 -2.714 1.00 42.51 H new ATOM 0 HA ASP A 53 16.011 0.224 -4.637 1.00 60.31 H new ATOM 0 HB2 ASP A 53 13.966 0.911 -2.526 1.00 54.04 H new ATOM 0 HB3 ASP A 53 15.221 2.074 -2.909 1.00 54.04 H new ATOM 829 N CYS A 54 17.662 -0.897 -2.767 1.00 70.01 N ATOM 830 CA CYS A 54 18.823 -1.003 -1.891 1.00 74.53 C ATOM 831 C CYS A 54 19.734 0.210 -2.047 1.00 3.44 C ATOM 832 O CYS A 54 19.957 0.694 -3.156 1.00 42.44 O ATOM 833 CB CYS A 54 19.603 -2.283 -2.197 1.00 72.53 C ATOM 834 SG CYS A 54 18.914 -3.779 -1.417 1.00 52.42 S ATOM 0 H CYS A 54 17.588 -1.641 -3.461 1.00 70.01 H new ATOM 0 HA CYS A 54 18.468 -1.039 -0.861 1.00 74.53 H new ATOM 0 HB2 CYS A 54 19.631 -2.429 -3.277 1.00 72.53 H new ATOM 0 HB3 CYS A 54 20.634 -2.156 -1.866 1.00 72.53 H new ATOM 839 N ASP A 55 20.258 0.696 -0.927 1.00 4.51 N ATOM 840 CA ASP A 55 21.147 1.853 -0.938 1.00 21.33 C ATOM 841 C ASP A 55 22.284 1.655 -1.936 1.00 11.04 C ATOM 842 O ASP A 55 23.284 1.004 -1.631 1.00 20.50 O ATOM 843 CB ASP A 55 21.716 2.098 0.461 1.00 41.55 C ATOM 844 CG ASP A 55 21.029 3.248 1.171 1.00 22.13 C ATOM 845 OD1 ASP A 55 21.183 4.402 0.720 1.00 45.31 O ATOM 846 OD2 ASP A 55 20.337 2.993 2.179 1.00 53.25 O ATOM 0 H ASP A 55 20.083 0.307 -0.000 1.00 4.51 H new ATOM 0 HA ASP A 55 20.567 2.724 -1.244 1.00 21.33 H new ATOM 0 HB2 ASP A 55 21.610 1.192 1.057 1.00 41.55 H new ATOM 0 HB3 ASP A 55 22.783 2.307 0.385 1.00 41.55 H new TER 851 ASP A 55