USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=14 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 33 ASN : amide:sc= -1.86 K(o=-3.1,f=-9.2!) USER MOD Set 1.2: A 50 ASN : amide:sc= -1.2! C(o=-3.1!,f=-3!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 155:sc= -0.55 (180deg=-1.6!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0214 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= -0.429 K(o=-0.43,f=-2.6) 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= -3.32! X(o=-3.3!,f=-3.5) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.12 (180deg=-0.602) 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= -1.04 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.033) USER MOD Single : A 41 ASN : amide:sc= -2.85 K(o=-2.8,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0757) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00143 USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00373 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.771 -0.304 -0.096 1.00 44.34 N ATOM 2 CA ALA A 1 2.755 0.311 -0.980 1.00 35.40 C ATOM 3 C ALA A 1 4.084 -0.434 -0.923 1.00 43.44 C ATOM 4 O ALA A 1 5.074 0.081 -0.403 1.00 3.11 O ATOM 5 CB ALA A 1 2.951 1.774 -0.615 1.00 13.55 C ATOM 0 H1 ALA A 1 0.876 0.222 -0.154 1.00 44.34 H new ATOM 0 H2 ALA A 1 1.612 -1.290 -0.386 1.00 44.34 H new ATOM 0 H3 ALA A 1 2.122 -0.283 0.883 1.00 44.34 H new ATOM 0 HA ALA A 1 2.378 0.251 -2.001 1.00 35.40 H new ATOM 0 HB1 ALA A 1 3.688 2.220 -1.283 1.00 13.55 H new ATOM 0 HB2 ALA A 1 2.004 2.304 -0.714 1.00 13.55 H new ATOM 0 HB3 ALA A 1 3.302 1.848 0.414 1.00 13.55 H new ATOM 11 N LYS A 2 4.101 -1.648 -1.462 1.00 35.45 N ATOM 12 CA LYS A 2 5.309 -2.464 -1.473 1.00 73.43 C ATOM 13 C LYS A 2 5.916 -2.517 -2.871 1.00 43.04 C ATOM 14 O LYS A 2 6.911 -1.848 -3.152 1.00 50.20 O ATOM 15 CB LYS A 2 4.996 -3.882 -0.988 1.00 3.22 C ATOM 16 CG LYS A 2 5.236 -4.082 0.499 1.00 74.13 C ATOM 17 CD LYS A 2 6.631 -4.617 0.772 1.00 62.33 C ATOM 18 CE LYS A 2 6.675 -6.135 0.676 1.00 12.34 C ATOM 19 NZ LYS A 2 6.826 -6.598 -0.731 1.00 2.12 N ATOM 0 H LYS A 2 3.291 -2.089 -1.897 1.00 35.45 H new ATOM 0 HA LYS A 2 6.033 -2.007 -0.798 1.00 73.43 H new ATOM 0 HB2 LYS A 2 3.955 -4.113 -1.214 1.00 3.22 H new ATOM 0 HB3 LYS A 2 5.608 -4.591 -1.545 1.00 3.22 H new ATOM 0 HG2 LYS A 2 5.100 -3.135 1.021 1.00 74.13 H new ATOM 0 HG3 LYS A 2 4.495 -4.775 0.898 1.00 74.13 H new ATOM 0 HD2 LYS A 2 7.333 -4.186 0.059 1.00 62.33 H new ATOM 0 HD3 LYS A 2 6.954 -4.305 1.765 1.00 62.33 H new ATOM 0 HE2 LYS A 2 7.505 -6.513 1.274 1.00 12.34 H new ATOM 0 HE3 LYS A 2 5.761 -6.552 1.099 1.00 12.34 H new ATOM 0 HZ1 LYS A 2 7.265 -7.541 -0.741 1.00 2.12 H new ATOM 0 HZ2 LYS A 2 5.890 -6.647 -1.183 1.00 2.12 H new ATOM 0 HZ3 LYS A 2 7.428 -5.930 -1.253 1.00 2.12 H new ATOM 33 N TYR A 3 5.311 -3.314 -3.745 1.00 23.54 N ATOM 34 CA TYR A 3 5.794 -3.455 -5.113 1.00 54.54 C ATOM 35 C TYR A 3 4.631 -3.628 -6.086 1.00 12.52 C ATOM 36 O TYR A 3 3.525 -3.999 -5.691 1.00 70.32 O ATOM 37 CB TYR A 3 6.745 -4.647 -5.222 1.00 22.24 C ATOM 38 CG TYR A 3 8.089 -4.298 -5.821 1.00 14.40 C ATOM 39 CD1 TYR A 3 8.995 -3.504 -5.128 1.00 53.34 C ATOM 40 CD2 TYR A 3 8.452 -4.760 -7.080 1.00 15.12 C ATOM 41 CE1 TYR A 3 10.223 -3.181 -5.672 1.00 60.01 C ATOM 42 CE2 TYR A 3 9.678 -4.443 -7.631 1.00 22.53 C ATOM 43 CZ TYR A 3 10.560 -3.654 -6.923 1.00 43.32 C ATOM 44 OH TYR A 3 11.783 -3.335 -7.469 1.00 74.12 O ATOM 0 H TYR A 3 4.485 -3.872 -3.530 1.00 23.54 H new ATOM 0 HA TYR A 3 6.333 -2.545 -5.376 1.00 54.54 H new ATOM 0 HB2 TYR A 3 6.898 -5.071 -4.229 1.00 22.24 H new ATOM 0 HB3 TYR A 3 6.276 -5.421 -5.830 1.00 22.24 H new ATOM 0 HD1 TYR A 3 8.735 -3.133 -4.148 1.00 53.34 H new ATOM 0 HD2 TYR A 3 7.763 -5.378 -7.637 1.00 15.12 H new ATOM 0 HE1 TYR A 3 10.915 -2.562 -5.121 1.00 60.01 H new ATOM 0 HE2 TYR A 3 9.945 -4.811 -8.611 1.00 22.53 H new ATOM 0 HH TYR A 3 11.864 -3.748 -8.354 1.00 74.12 H new ATOM 54 N THR A 4 4.889 -3.356 -7.361 1.00 51.43 N ATOM 55 CA THR A 4 3.866 -3.480 -8.392 1.00 14.15 C ATOM 56 C THR A 4 3.991 -4.805 -9.134 1.00 61.30 C ATOM 57 O THR A 4 4.993 -5.062 -9.800 1.00 71.42 O ATOM 58 CB THR A 4 3.948 -2.325 -9.408 1.00 23.42 C ATOM 59 OG1 THR A 4 4.030 -1.072 -8.720 1.00 24.21 O ATOM 60 CG2 THR A 4 2.737 -2.326 -10.328 1.00 34.34 C ATOM 0 H THR A 4 5.799 -3.048 -7.705 1.00 51.43 H new ATOM 0 HA THR A 4 2.901 -3.440 -7.886 1.00 14.15 H new ATOM 0 HB THR A 4 4.844 -2.466 -10.013 1.00 23.42 H new ATOM 0 HG1 THR A 4 4.084 -0.343 -9.373 1.00 24.21 H new ATOM 0 HG21 THR A 4 2.818 -1.502 -11.036 1.00 34.34 H new ATOM 0 HG22 THR A 4 2.694 -3.269 -10.872 1.00 34.34 H new ATOM 0 HG23 THR A 4 1.830 -2.208 -9.735 1.00 34.34 H new ATOM 68 N GLY A 5 2.967 -5.645 -9.015 1.00 54.42 N ATOM 69 CA GLY A 5 2.983 -6.934 -9.681 1.00 55.35 C ATOM 70 C GLY A 5 1.865 -7.076 -10.696 1.00 43.20 C ATOM 71 O GLY A 5 0.980 -6.224 -10.780 1.00 31.44 O ATOM 0 H GLY A 5 2.127 -5.455 -8.469 1.00 54.42 H new ATOM 0 HA2 GLY A 5 3.942 -7.070 -10.180 1.00 55.35 H new ATOM 0 HA3 GLY A 5 2.896 -7.725 -8.936 1.00 55.35 H new ATOM 75 N LYS A 6 1.906 -8.154 -11.471 1.00 60.13 N ATOM 76 CA LYS A 6 0.890 -8.406 -12.486 1.00 41.15 C ATOM 77 C LYS A 6 0.594 -9.898 -12.601 1.00 53.22 C ATOM 78 O LYS A 6 1.508 -10.717 -12.694 1.00 71.52 O ATOM 79 CB LYS A 6 1.347 -7.860 -13.841 1.00 62.43 C ATOM 80 CG LYS A 6 2.840 -7.592 -13.916 1.00 43.05 C ATOM 81 CD LYS A 6 3.307 -7.433 -15.354 1.00 33.41 C ATOM 82 CE LYS A 6 3.231 -5.984 -15.808 1.00 13.42 C ATOM 83 NZ LYS A 6 4.494 -5.539 -16.459 1.00 23.25 N ATOM 0 H LYS A 6 2.632 -8.868 -11.416 1.00 60.13 H new ATOM 0 HA LYS A 6 -0.024 -7.894 -12.184 1.00 41.15 H new ATOM 0 HB2 LYS A 6 1.074 -8.571 -14.621 1.00 62.43 H new ATOM 0 HB3 LYS A 6 0.809 -6.935 -14.051 1.00 62.43 H new ATOM 0 HG2 LYS A 6 3.077 -6.689 -13.354 1.00 43.05 H new ATOM 0 HG3 LYS A 6 3.382 -8.412 -13.445 1.00 43.05 H new ATOM 0 HD2 LYS A 6 4.332 -7.791 -15.446 1.00 33.41 H new ATOM 0 HD3 LYS A 6 2.693 -8.053 -16.008 1.00 33.41 H new ATOM 0 HE2 LYS A 6 2.402 -5.865 -16.505 1.00 13.42 H new ATOM 0 HE3 LYS A 6 3.020 -5.345 -14.950 1.00 13.42 H new ATOM 0 HZ1 LYS A 6 4.401 -4.546 -16.754 1.00 23.25 H new ATOM 0 HZ2 LYS A 6 5.282 -5.628 -15.786 1.00 23.25 H new ATOM 0 HZ3 LYS A 6 4.682 -6.132 -17.293 1.00 23.25 H new ATOM 97 N CYS A 7 -0.689 -10.244 -12.595 1.00 53.43 N ATOM 98 CA CYS A 7 -1.107 -11.636 -12.700 1.00 21.53 C ATOM 99 C CYS A 7 -1.978 -11.852 -13.934 1.00 63.22 C ATOM 100 O CYS A 7 -2.793 -11.000 -14.290 1.00 64.33 O ATOM 101 CB CYS A 7 -1.871 -12.057 -11.443 1.00 75.10 C ATOM 102 SG CYS A 7 -3.560 -12.659 -11.767 1.00 12.34 S ATOM 0 H CYS A 7 -1.458 -9.578 -12.518 1.00 53.43 H new ATOM 0 HA CYS A 7 -0.212 -12.251 -12.797 1.00 21.53 H new ATOM 0 HB2 CYS A 7 -1.309 -12.840 -10.934 1.00 75.10 H new ATOM 0 HB3 CYS A 7 -1.924 -11.208 -10.761 1.00 75.10 H new ATOM 107 N THR A 8 -1.800 -12.998 -14.584 1.00 62.22 N ATOM 108 CA THR A 8 -2.567 -13.327 -15.779 1.00 14.52 C ATOM 109 C THR A 8 -3.694 -14.302 -15.458 1.00 24.33 C ATOM 110 O THR A 8 -3.452 -15.410 -14.977 1.00 2.42 O ATOM 111 CB THR A 8 -1.671 -13.937 -16.873 1.00 1.14 C ATOM 112 OG1 THR A 8 -2.466 -14.321 -18.000 1.00 20.22 O ATOM 113 CG2 THR A 8 -0.917 -15.147 -16.341 1.00 42.44 C ATOM 0 H THR A 8 -1.131 -13.714 -14.302 1.00 62.22 H new ATOM 0 HA THR A 8 -2.992 -12.393 -16.148 1.00 14.52 H new ATOM 0 HB THR A 8 -0.946 -13.183 -17.181 1.00 1.14 H new ATOM 0 HG1 THR A 8 -1.888 -14.706 -18.692 1.00 20.22 H new ATOM 0 HG21 THR A 8 -0.291 -15.562 -17.131 1.00 42.44 H new ATOM 0 HG22 THR A 8 -0.290 -14.845 -15.502 1.00 42.44 H new ATOM 0 HG23 THR A 8 -1.629 -15.902 -16.009 1.00 42.44 H new ATOM 121 N LYS A 9 -4.926 -13.885 -15.727 1.00 31.40 N ATOM 122 CA LYS A 9 -6.091 -14.723 -15.469 1.00 33.12 C ATOM 123 C LYS A 9 -5.981 -16.052 -16.210 1.00 1.13 C ATOM 124 O LYS A 9 -6.640 -17.028 -15.854 1.00 34.43 O ATOM 125 CB LYS A 9 -7.371 -13.997 -15.890 1.00 43.23 C ATOM 126 CG LYS A 9 -8.393 -13.868 -14.774 1.00 61.21 C ATOM 127 CD LYS A 9 -9.602 -14.754 -15.021 1.00 35.11 C ATOM 128 CE LYS A 9 -10.767 -14.370 -14.121 1.00 72.41 C ATOM 129 NZ LYS A 9 -12.046 -14.275 -14.879 1.00 24.41 N ATOM 0 H LYS A 9 -5.144 -12.971 -16.124 1.00 31.40 H new ATOM 0 HA LYS A 9 -6.131 -14.926 -14.399 1.00 33.12 H new ATOM 0 HB2 LYS A 9 -7.112 -13.002 -16.251 1.00 43.23 H new ATOM 0 HB3 LYS A 9 -7.823 -14.531 -16.726 1.00 43.23 H new ATOM 0 HG2 LYS A 9 -7.932 -14.137 -13.824 1.00 61.21 H new ATOM 0 HG3 LYS A 9 -8.713 -12.829 -14.690 1.00 61.21 H new ATOM 0 HD2 LYS A 9 -9.906 -14.675 -16.065 1.00 35.11 H new ATOM 0 HD3 LYS A 9 -9.333 -15.796 -14.846 1.00 35.11 H new ATOM 0 HE2 LYS A 9 -10.870 -15.108 -13.326 1.00 72.41 H new ATOM 0 HE3 LYS A 9 -10.556 -13.413 -13.643 1.00 72.41 H new ATOM 0 HZ1 LYS A 9 -12.815 -14.011 -14.231 1.00 24.41 H new ATOM 0 HZ2 LYS A 9 -11.956 -13.553 -15.622 1.00 24.41 H new ATOM 0 HZ3 LYS A 9 -12.261 -15.195 -15.315 1.00 24.41 H new ATOM 143 N SER A 10 -5.142 -16.082 -17.241 1.00 14.34 N ATOM 144 CA SER A 10 -4.948 -17.290 -18.033 1.00 24.32 C ATOM 145 C SER A 10 -4.336 -18.402 -17.186 1.00 31.31 C ATOM 146 O SER A 10 -4.762 -19.556 -17.252 1.00 42.45 O ATOM 147 CB SER A 10 -4.049 -16.998 -19.236 1.00 53.51 C ATOM 148 OG SER A 10 -4.620 -17.499 -20.432 1.00 40.34 O ATOM 0 H SER A 10 -4.586 -15.283 -17.547 1.00 14.34 H new ATOM 0 HA SER A 10 -5.923 -17.622 -18.389 1.00 24.32 H new ATOM 0 HB2 SER A 10 -3.894 -15.923 -19.326 1.00 53.51 H new ATOM 0 HB3 SER A 10 -3.069 -17.449 -19.080 1.00 53.51 H new ATOM 0 HG SER A 10 -4.028 -17.298 -21.186 1.00 40.34 H new ATOM 154 N LYS A 11 -3.334 -18.047 -16.389 1.00 21.21 N ATOM 155 CA LYS A 11 -2.662 -19.012 -15.527 1.00 35.43 C ATOM 156 C LYS A 11 -3.065 -18.812 -14.069 1.00 44.01 C ATOM 157 O LYS A 11 -2.642 -19.562 -13.190 1.00 44.32 O ATOM 158 CB LYS A 11 -1.144 -18.886 -15.670 1.00 51.40 C ATOM 159 CG LYS A 11 -0.487 -20.110 -16.282 1.00 25.41 C ATOM 160 CD LYS A 11 -0.590 -21.316 -15.363 1.00 60.44 C ATOM 161 CE LYS A 11 -1.071 -22.549 -16.114 1.00 1.12 C ATOM 162 NZ LYS A 11 0.065 -23.381 -16.599 1.00 33.34 N ATOM 0 H LYS A 11 -2.969 -17.097 -16.322 1.00 21.21 H new ATOM 0 HA LYS A 11 -2.967 -20.012 -15.836 1.00 35.43 H new ATOM 0 HB2 LYS A 11 -0.917 -18.016 -16.286 1.00 51.40 H new ATOM 0 HB3 LYS A 11 -0.709 -18.704 -14.687 1.00 51.40 H new ATOM 0 HG2 LYS A 11 -0.959 -20.338 -17.238 1.00 25.41 H new ATOM 0 HG3 LYS A 11 0.562 -19.897 -16.488 1.00 25.41 H new ATOM 0 HD2 LYS A 11 0.383 -21.518 -14.915 1.00 60.44 H new ATOM 0 HD3 LYS A 11 -1.277 -21.095 -14.546 1.00 60.44 H new ATOM 0 HE2 LYS A 11 -1.706 -23.147 -15.461 1.00 1.12 H new ATOM 0 HE3 LYS A 11 -1.684 -22.242 -16.961 1.00 1.12 H new ATOM 0 HZ1 LYS A 11 -0.304 -24.211 -17.105 1.00 33.34 H new ATOM 0 HZ2 LYS A 11 0.658 -22.818 -17.242 1.00 33.34 H new ATOM 0 HZ3 LYS A 11 0.636 -23.695 -15.789 1.00 33.34 H new ATOM 176 N ASN A 12 -3.885 -17.796 -13.821 1.00 32.44 N ATOM 177 CA ASN A 12 -4.345 -17.498 -12.469 1.00 72.50 C ATOM 178 C ASN A 12 -3.169 -17.410 -11.501 1.00 71.52 C ATOM 179 O ASN A 12 -3.199 -17.995 -10.419 1.00 1.12 O ATOM 180 CB ASN A 12 -5.331 -18.569 -11.996 1.00 4.12 C ATOM 181 CG ASN A 12 -6.595 -17.972 -11.408 1.00 44.20 C ATOM 182 OD1 ASN A 12 -7.158 -17.023 -11.954 1.00 0.24 O ATOM 183 ND2 ASN A 12 -7.046 -18.527 -10.289 1.00 51.32 N ATOM 0 H ASN A 12 -4.245 -17.165 -14.538 1.00 32.44 H new ATOM 0 HA ASN A 12 -4.849 -16.532 -12.488 1.00 72.50 H new ATOM 0 HB2 ASN A 12 -5.593 -19.214 -12.835 1.00 4.12 H new ATOM 0 HB3 ASN A 12 -4.848 -19.199 -11.249 1.00 4.12 H new ATOM 0 HD21 ASN A 12 -7.892 -18.168 -9.847 1.00 51.32 H new ATOM 0 HD22 ASN A 12 -6.546 -19.312 -9.872 1.00 51.32 H new ATOM 190 N GLU A 13 -2.135 -16.675 -11.900 1.00 35.44 N ATOM 191 CA GLU A 13 -0.950 -16.511 -11.067 1.00 64.41 C ATOM 192 C GLU A 13 -0.332 -15.130 -11.266 1.00 61.31 C ATOM 193 O GLU A 13 -0.522 -14.497 -12.305 1.00 4.53 O ATOM 194 CB GLU A 13 0.082 -17.595 -11.390 1.00 55.34 C ATOM 195 CG GLU A 13 0.746 -17.418 -12.746 1.00 13.25 C ATOM 196 CD GLU A 13 1.443 -18.677 -13.222 1.00 41.03 C ATOM 197 OE1 GLU A 13 2.582 -18.570 -13.724 1.00 11.10 O ATOM 198 OE2 GLU A 13 0.851 -19.769 -13.094 1.00 51.31 O ATOM 0 H GLU A 13 -2.094 -16.185 -12.794 1.00 35.44 H new ATOM 0 HA GLU A 13 -1.254 -16.608 -10.025 1.00 64.41 H new ATOM 0 HB2 GLU A 13 0.850 -17.596 -10.616 1.00 55.34 H new ATOM 0 HB3 GLU A 13 -0.405 -18.570 -11.358 1.00 55.34 H new ATOM 0 HG2 GLU A 13 -0.005 -17.124 -13.479 1.00 13.25 H new ATOM 0 HG3 GLU A 13 1.470 -16.606 -12.689 1.00 13.25 H new ATOM 205 N CYS A 14 0.408 -14.669 -10.263 1.00 34.30 N ATOM 206 CA CYS A 14 1.053 -13.364 -10.325 1.00 40.42 C ATOM 207 C CYS A 14 2.569 -13.501 -10.218 1.00 41.41 C ATOM 208 O CYS A 14 3.077 -14.321 -9.453 1.00 44.52 O ATOM 209 CB CYS A 14 0.531 -12.460 -9.206 1.00 44.34 C ATOM 210 SG CYS A 14 0.729 -10.679 -9.536 1.00 70.11 S ATOM 0 H CYS A 14 0.576 -15.181 -9.397 1.00 34.30 H new ATOM 0 HA CYS A 14 0.814 -12.913 -11.288 1.00 40.42 H new ATOM 0 HB2 CYS A 14 -0.526 -12.673 -9.044 1.00 44.34 H new ATOM 0 HB3 CYS A 14 1.052 -12.707 -8.281 1.00 44.34 H new ATOM 215 N LYS A 15 3.287 -12.691 -10.990 1.00 74.51 N ATOM 216 CA LYS A 15 4.744 -12.720 -10.982 1.00 43.45 C ATOM 217 C LYS A 15 5.317 -11.379 -11.433 1.00 73.41 C ATOM 218 O LYS A 15 4.825 -10.772 -12.385 1.00 22.03 O ATOM 219 CB LYS A 15 5.258 -13.838 -11.892 1.00 42.55 C ATOM 220 CG LYS A 15 5.287 -13.460 -13.363 1.00 41.43 C ATOM 221 CD LYS A 15 3.892 -13.177 -13.894 1.00 13.31 C ATOM 222 CE LYS A 15 3.713 -13.711 -15.307 1.00 25.54 C ATOM 223 NZ LYS A 15 4.516 -12.941 -16.297 1.00 23.44 N ATOM 0 H LYS A 15 2.883 -12.007 -11.629 1.00 74.51 H new ATOM 0 HA LYS A 15 5.073 -12.911 -9.961 1.00 43.45 H new ATOM 0 HB2 LYS A 15 6.263 -14.118 -11.577 1.00 42.55 H new ATOM 0 HB3 LYS A 15 4.628 -14.718 -11.764 1.00 42.55 H new ATOM 0 HG2 LYS A 15 5.915 -12.580 -13.501 1.00 41.43 H new ATOM 0 HG3 LYS A 15 5.739 -14.268 -13.938 1.00 41.43 H new ATOM 0 HD2 LYS A 15 3.152 -13.632 -13.236 1.00 13.31 H new ATOM 0 HD3 LYS A 15 3.709 -12.102 -13.884 1.00 13.31 H new ATOM 0 HE2 LYS A 15 4.007 -14.760 -15.339 1.00 25.54 H new ATOM 0 HE3 LYS A 15 2.659 -13.667 -15.581 1.00 25.54 H new ATOM 0 HZ1 LYS A 15 4.367 -13.336 -17.247 1.00 23.44 H new ATOM 0 HZ2 LYS A 15 4.219 -11.945 -16.285 1.00 23.44 H new ATOM 0 HZ3 LYS A 15 5.524 -13.004 -16.050 1.00 23.44 H new ATOM 237 N TYR A 16 6.358 -10.925 -10.745 1.00 41.11 N ATOM 238 CA TYR A 16 6.997 -9.656 -11.074 1.00 73.14 C ATOM 239 C TYR A 16 8.492 -9.706 -10.777 1.00 42.41 C ATOM 240 O TYR A 16 8.966 -10.587 -10.060 1.00 4.10 O ATOM 241 CB TYR A 16 6.347 -8.515 -10.290 1.00 32.34 C ATOM 242 CG TYR A 16 6.701 -7.142 -10.813 1.00 54.32 C ATOM 243 CD1 TYR A 16 6.141 -6.660 -11.990 1.00 75.12 C ATOM 244 CD2 TYR A 16 7.595 -6.326 -10.132 1.00 3.21 C ATOM 245 CE1 TYR A 16 6.461 -5.406 -12.473 1.00 22.01 C ATOM 246 CE2 TYR A 16 7.921 -5.070 -10.606 1.00 54.13 C ATOM 247 CZ TYR A 16 7.351 -4.615 -11.777 1.00 42.43 C ATOM 248 OH TYR A 16 7.674 -3.365 -12.254 1.00 12.30 O ATOM 0 H TYR A 16 6.778 -11.416 -9.956 1.00 41.11 H new ATOM 0 HA TYR A 16 6.863 -9.477 -12.141 1.00 73.14 H new ATOM 0 HB2 TYR A 16 5.264 -8.637 -10.318 1.00 32.34 H new ATOM 0 HB3 TYR A 16 6.649 -8.585 -9.245 1.00 32.34 H new ATOM 0 HD1 TYR A 16 5.443 -7.277 -12.537 1.00 75.12 H new ATOM 0 HD2 TYR A 16 8.043 -6.680 -9.215 1.00 3.21 H new ATOM 0 HE1 TYR A 16 6.017 -5.047 -13.390 1.00 22.01 H new ATOM 0 HE2 TYR A 16 8.618 -4.448 -10.063 1.00 54.13 H new ATOM 0 HH TYR A 16 8.313 -2.938 -11.646 1.00 12.30 H new ATOM 258 N LYS A 17 9.231 -8.752 -11.333 1.00 41.43 N ATOM 259 CA LYS A 17 10.673 -8.682 -11.128 1.00 60.52 C ATOM 260 C LYS A 17 11.005 -7.906 -9.858 1.00 23.11 C ATOM 261 O LYS A 17 10.591 -6.759 -9.694 1.00 61.42 O ATOM 262 CB LYS A 17 11.349 -8.024 -12.333 1.00 3.23 C ATOM 263 CG LYS A 17 12.866 -8.105 -12.298 1.00 54.43 C ATOM 264 CD LYS A 17 13.498 -6.723 -12.297 1.00 52.20 C ATOM 265 CE LYS A 17 13.869 -6.279 -13.703 1.00 43.45 C ATOM 266 NZ LYS A 17 14.854 -5.161 -13.690 1.00 72.33 N ATOM 0 H LYS A 17 8.854 -8.016 -11.930 1.00 41.43 H new ATOM 0 HA LYS A 17 11.049 -9.699 -11.019 1.00 60.52 H new ATOM 0 HB2 LYS A 17 10.989 -8.499 -13.245 1.00 3.23 H new ATOM 0 HB3 LYS A 17 11.050 -6.977 -12.380 1.00 3.23 H new ATOM 0 HG2 LYS A 17 13.182 -8.651 -11.409 1.00 54.43 H new ATOM 0 HG3 LYS A 17 13.221 -8.668 -13.161 1.00 54.43 H new ATOM 0 HD2 LYS A 17 12.805 -6.005 -11.859 1.00 52.20 H new ATOM 0 HD3 LYS A 17 14.389 -6.730 -11.669 1.00 52.20 H new ATOM 0 HE2 LYS A 17 14.285 -7.123 -14.253 1.00 43.45 H new ATOM 0 HE3 LYS A 17 12.970 -5.965 -14.234 1.00 43.45 H new ATOM 0 HZ1 LYS A 17 15.081 -4.887 -14.667 1.00 72.33 H new ATOM 0 HZ2 LYS A 17 14.448 -4.346 -13.188 1.00 72.33 H new ATOM 0 HZ3 LYS A 17 15.722 -5.468 -13.206 1.00 72.33 H new ATOM 280 N ASN A 18 11.756 -8.539 -8.962 1.00 44.14 N ATOM 281 CA ASN A 18 12.145 -7.906 -7.707 1.00 70.41 C ATOM 282 C ASN A 18 13.650 -7.661 -7.665 1.00 2.04 C ATOM 283 O ASN A 18 14.371 -7.994 -8.606 1.00 34.15 O ATOM 284 CB ASN A 18 11.725 -8.778 -6.522 1.00 4.14 C ATOM 285 CG ASN A 18 11.695 -10.253 -6.871 1.00 30.42 C ATOM 286 OD1 ASN A 18 10.816 -10.712 -7.600 1.00 53.14 O ATOM 287 ND2 ASN A 18 12.658 -11.005 -6.350 1.00 1.54 N ATOM 0 H ASN A 18 12.107 -9.489 -9.082 1.00 44.14 H new ATOM 0 HA ASN A 18 11.637 -6.944 -7.640 1.00 70.41 H new ATOM 0 HB2 ASN A 18 12.415 -8.617 -5.694 1.00 4.14 H new ATOM 0 HB3 ASN A 18 10.738 -8.469 -6.179 1.00 4.14 H new ATOM 0 HD21 ASN A 18 12.689 -12.005 -6.549 1.00 1.54 H new ATOM 0 HD22 ASN A 18 13.367 -10.583 -5.751 1.00 1.54 H new ATOM 294 N SER A 19 14.118 -7.077 -6.566 1.00 42.44 N ATOM 295 CA SER A 19 15.537 -6.783 -6.402 1.00 22.40 C ATOM 296 C SER A 19 16.371 -8.056 -6.513 1.00 22.03 C ATOM 297 O SER A 19 17.470 -8.045 -7.066 1.00 43.32 O ATOM 298 CB SER A 19 15.788 -6.112 -5.050 1.00 54.13 C ATOM 299 OG SER A 19 16.687 -5.024 -5.180 1.00 33.41 O ATOM 0 H SER A 19 13.535 -6.798 -5.776 1.00 42.44 H new ATOM 0 HA SER A 19 15.836 -6.102 -7.199 1.00 22.40 H new ATOM 0 HB2 SER A 19 14.844 -5.760 -4.634 1.00 54.13 H new ATOM 0 HB3 SER A 19 16.193 -6.841 -4.348 1.00 54.13 H new ATOM 0 HG SER A 19 16.830 -4.611 -4.303 1.00 33.41 H new ATOM 305 N ALA A 20 15.840 -9.152 -5.982 1.00 32.33 N ATOM 306 CA ALA A 20 16.533 -10.434 -6.022 1.00 10.11 C ATOM 307 C ALA A 20 16.961 -10.782 -7.444 1.00 31.25 C ATOM 308 O ALA A 20 17.987 -11.427 -7.653 1.00 22.42 O ATOM 309 CB ALA A 20 15.647 -11.531 -5.452 1.00 32.44 C ATOM 0 H ALA A 20 14.932 -9.178 -5.519 1.00 32.33 H new ATOM 0 HA ALA A 20 17.431 -10.353 -5.410 1.00 10.11 H new ATOM 0 HB1 ALA A 20 16.177 -12.483 -5.488 1.00 32.44 H new ATOM 0 HB2 ALA A 20 15.395 -11.295 -4.418 1.00 32.44 H new ATOM 0 HB3 ALA A 20 14.732 -11.603 -6.041 1.00 32.44 H new ATOM 315 N GLY A 21 16.166 -10.351 -8.419 1.00 2.05 N ATOM 316 CA GLY A 21 16.480 -10.628 -9.808 1.00 54.12 C ATOM 317 C GLY A 21 15.848 -11.915 -10.299 1.00 63.44 C ATOM 318 O GLY A 21 15.736 -12.140 -11.505 1.00 34.54 O ATOM 0 H GLY A 21 15.311 -9.815 -8.271 1.00 2.05 H new ATOM 0 HA2 GLY A 21 16.137 -9.799 -10.427 1.00 54.12 H new ATOM 0 HA3 GLY A 21 17.562 -10.689 -9.928 1.00 54.12 H new ATOM 322 N LYS A 22 15.436 -12.765 -9.364 1.00 43.24 N ATOM 323 CA LYS A 22 14.813 -14.038 -9.707 1.00 42.43 C ATOM 324 C LYS A 22 13.296 -13.897 -9.785 1.00 22.52 C ATOM 325 O LYS A 22 12.636 -13.631 -8.780 1.00 71.44 O ATOM 326 CB LYS A 22 15.185 -15.105 -8.676 1.00 63.30 C ATOM 327 CG LYS A 22 16.344 -15.989 -9.106 1.00 12.52 C ATOM 328 CD LYS A 22 16.784 -16.916 -7.985 1.00 53.33 C ATOM 329 CE LYS A 22 17.393 -18.198 -8.530 1.00 65.21 C ATOM 330 NZ LYS A 22 16.695 -19.408 -8.013 1.00 51.44 N ATOM 0 H LYS A 22 15.523 -12.595 -8.362 1.00 43.24 H new ATOM 0 HA LYS A 22 15.183 -14.344 -10.686 1.00 42.43 H new ATOM 0 HB2 LYS A 22 15.441 -14.616 -7.736 1.00 63.30 H new ATOM 0 HB3 LYS A 22 14.314 -15.731 -8.483 1.00 63.30 H new ATOM 0 HG2 LYS A 22 16.050 -16.580 -9.974 1.00 12.52 H new ATOM 0 HG3 LYS A 22 17.183 -15.366 -9.415 1.00 12.52 H new ATOM 0 HD2 LYS A 22 17.512 -16.406 -7.354 1.00 53.33 H new ATOM 0 HD3 LYS A 22 15.929 -17.158 -7.354 1.00 53.33 H new ATOM 0 HE2 LYS A 22 17.345 -18.189 -9.619 1.00 65.21 H new ATOM 0 HE3 LYS A 22 18.448 -18.243 -8.258 1.00 65.21 H new ATOM 0 HZ1 LYS A 22 17.140 -20.261 -8.408 1.00 51.44 H new ATOM 0 HZ2 LYS A 22 16.763 -19.431 -6.975 1.00 51.44 H new ATOM 0 HZ3 LYS A 22 15.694 -19.378 -8.294 1.00 51.44 H new ATOM 344 N ASP A 23 12.750 -14.079 -10.982 1.00 64.41 N ATOM 345 CA ASP A 23 11.311 -13.976 -11.190 1.00 13.32 C ATOM 346 C ASP A 23 10.560 -14.945 -10.282 1.00 55.13 C ATOM 347 O ASP A 23 10.807 -16.151 -10.303 1.00 73.23 O ATOM 348 CB ASP A 23 10.964 -14.255 -12.653 1.00 55.41 C ATOM 349 CG ASP A 23 11.915 -13.570 -13.614 1.00 52.44 C ATOM 350 OD1 ASP A 23 12.312 -12.418 -13.337 1.00 61.42 O ATOM 351 OD2 ASP A 23 12.263 -14.185 -14.644 1.00 34.04 O ATOM 0 H ASP A 23 13.283 -14.299 -11.824 1.00 64.41 H new ATOM 0 HA ASP A 23 11.004 -12.960 -10.940 1.00 13.32 H new ATOM 0 HB2 ASP A 23 10.985 -15.330 -12.830 1.00 55.41 H new ATOM 0 HB3 ASP A 23 9.946 -13.919 -12.852 1.00 55.41 H new ATOM 356 N THR A 24 9.641 -14.409 -9.484 1.00 70.42 N ATOM 357 CA THR A 24 8.855 -15.226 -8.567 1.00 43.34 C ATOM 358 C THR A 24 7.385 -15.245 -8.970 1.00 43.13 C ATOM 359 O THR A 24 6.753 -14.197 -9.099 1.00 14.55 O ATOM 360 CB THR A 24 8.972 -14.715 -7.119 1.00 44.20 C ATOM 361 OG1 THR A 24 8.107 -15.468 -6.262 1.00 61.33 O ATOM 362 CG2 THR A 24 8.616 -13.238 -7.036 1.00 25.13 C ATOM 0 H THR A 24 9.423 -13.413 -9.454 1.00 70.42 H new ATOM 0 HA THR A 24 9.257 -16.238 -8.621 1.00 43.34 H new ATOM 0 HB THR A 24 10.005 -14.843 -6.795 1.00 44.20 H new ATOM 0 HG1 THR A 24 8.189 -15.138 -5.343 1.00 61.33 H new ATOM 0 HG21 THR A 24 8.706 -12.900 -6.004 1.00 25.13 H new ATOM 0 HG22 THR A 24 9.295 -12.664 -7.666 1.00 25.13 H new ATOM 0 HG23 THR A 24 7.592 -13.091 -7.378 1.00 25.13 H new ATOM 370 N PHE A 25 6.846 -16.443 -9.168 1.00 64.41 N ATOM 371 CA PHE A 25 5.450 -16.599 -9.557 1.00 15.11 C ATOM 372 C PHE A 25 4.736 -17.587 -8.639 1.00 63.40 C ATOM 373 O PHE A 25 5.338 -18.546 -8.154 1.00 44.12 O ATOM 374 CB PHE A 25 5.352 -17.072 -11.009 1.00 12.22 C ATOM 375 CG PHE A 25 5.816 -18.486 -11.211 1.00 53.11 C ATOM 376 CD1 PHE A 25 7.164 -18.800 -11.165 1.00 3.04 C ATOM 377 CD2 PHE A 25 4.903 -19.501 -11.448 1.00 70.14 C ATOM 378 CE1 PHE A 25 7.595 -20.100 -11.350 1.00 74.40 C ATOM 379 CE2 PHE A 25 5.327 -20.803 -11.634 1.00 63.32 C ATOM 380 CZ PHE A 25 6.675 -21.103 -11.586 1.00 73.11 C ATOM 0 H PHE A 25 7.355 -17.321 -9.065 1.00 64.41 H new ATOM 0 HA PHE A 25 4.963 -15.628 -9.465 1.00 15.11 H new ATOM 0 HB2 PHE A 25 4.318 -16.986 -11.342 1.00 12.22 H new ATOM 0 HB3 PHE A 25 5.945 -16.410 -11.639 1.00 12.22 H new ATOM 0 HD1 PHE A 25 7.887 -18.019 -10.982 1.00 3.04 H new ATOM 0 HD2 PHE A 25 3.848 -19.272 -11.488 1.00 70.14 H new ATOM 0 HE1 PHE A 25 8.649 -20.331 -11.310 1.00 74.40 H new ATOM 0 HE2 PHE A 25 4.605 -21.585 -11.817 1.00 63.32 H new ATOM 0 HZ PHE A 25 7.009 -22.120 -11.733 1.00 73.11 H new ATOM 390 N ILE A 26 3.451 -17.347 -8.405 1.00 53.51 N ATOM 391 CA ILE A 26 2.655 -18.215 -7.546 1.00 62.14 C ATOM 392 C ILE A 26 1.195 -18.233 -7.984 1.00 73.03 C ATOM 393 O ILE A 26 0.559 -17.186 -8.108 1.00 11.10 O ATOM 394 CB ILE A 26 2.732 -17.774 -6.073 1.00 2.41 C ATOM 395 CG1 ILE A 26 1.878 -18.692 -5.197 1.00 75.22 C ATOM 396 CG2 ILE A 26 2.283 -16.327 -5.929 1.00 71.32 C ATOM 397 CD1 ILE A 26 2.108 -18.500 -3.715 1.00 24.23 C ATOM 0 H ILE A 26 2.938 -16.558 -8.798 1.00 53.51 H new ATOM 0 HA ILE A 26 3.072 -19.218 -7.638 1.00 62.14 H new ATOM 0 HB ILE A 26 3.768 -17.848 -5.741 1.00 2.41 H new ATOM 0 HG12 ILE A 26 0.825 -18.516 -5.419 1.00 75.22 H new ATOM 0 HG13 ILE A 26 2.089 -19.729 -5.458 1.00 75.22 H new ATOM 0 HG21 ILE A 26 2.343 -16.030 -4.882 1.00 71.32 H new ATOM 0 HG22 ILE A 26 2.930 -15.684 -6.526 1.00 71.32 H new ATOM 0 HG23 ILE A 26 1.254 -16.229 -6.275 1.00 71.32 H new ATOM 0 HD11 ILE A 26 1.469 -19.184 -3.156 1.00 24.23 H new ATOM 0 HD12 ILE A 26 3.152 -18.705 -3.479 1.00 24.23 H new ATOM 0 HD13 ILE A 26 1.869 -17.473 -3.440 1.00 24.23 H new ATOM 409 N LYS A 27 0.667 -19.430 -8.216 1.00 60.14 N ATOM 410 CA LYS A 27 -0.720 -19.587 -8.638 1.00 11.23 C ATOM 411 C LYS A 27 -1.667 -19.459 -7.449 1.00 54.10 C ATOM 412 O LYS A 27 -1.336 -19.858 -6.332 1.00 40.22 O ATOM 413 CB LYS A 27 -0.918 -20.944 -9.317 1.00 40.45 C ATOM 414 CG LYS A 27 -0.090 -21.118 -10.579 1.00 32.41 C ATOM 415 CD LYS A 27 0.391 -22.551 -10.736 1.00 73.11 C ATOM 416 CE LYS A 27 0.334 -23.002 -12.188 1.00 3.23 C ATOM 417 NZ LYS A 27 0.268 -24.485 -12.306 1.00 11.21 N ATOM 0 H LYS A 27 1.179 -20.307 -8.119 1.00 60.14 H new ATOM 0 HA LYS A 27 -0.949 -18.795 -9.351 1.00 11.23 H new ATOM 0 HB2 LYS A 27 -0.661 -21.735 -8.612 1.00 40.45 H new ATOM 0 HB3 LYS A 27 -1.972 -21.067 -9.564 1.00 40.45 H new ATOM 0 HG2 LYS A 27 -0.685 -20.835 -11.448 1.00 32.41 H new ATOM 0 HG3 LYS A 27 0.768 -20.446 -10.548 1.00 32.41 H new ATOM 0 HD2 LYS A 27 1.413 -22.635 -10.368 1.00 73.11 H new ATOM 0 HD3 LYS A 27 -0.224 -23.211 -10.124 1.00 73.11 H new ATOM 0 HE2 LYS A 27 -0.537 -22.560 -12.672 1.00 3.23 H new ATOM 0 HE3 LYS A 27 1.213 -22.634 -12.717 1.00 3.23 H new ATOM 0 HZ1 LYS A 27 0.230 -24.752 -13.310 1.00 11.21 H new ATOM 0 HZ2 LYS A 27 1.112 -24.906 -11.867 1.00 11.21 H new ATOM 0 HZ3 LYS A 27 -0.584 -24.834 -11.823 1.00 11.21 H new ATOM 431 N CYS A 28 -2.848 -18.902 -7.697 1.00 10.44 N ATOM 432 CA CYS A 28 -3.844 -18.722 -6.648 1.00 34.04 C ATOM 433 C CYS A 28 -5.119 -19.496 -6.970 1.00 55.22 C ATOM 434 O CYS A 28 -5.530 -19.611 -8.125 1.00 63.43 O ATOM 435 CB CYS A 28 -4.167 -17.237 -6.470 1.00 40.05 C ATOM 436 SG CYS A 28 -2.702 -16.182 -6.226 1.00 51.12 S ATOM 0 H CYS A 28 -3.138 -18.568 -8.616 1.00 10.44 H new ATOM 0 HA CYS A 28 -3.429 -19.110 -5.718 1.00 34.04 H new ATOM 0 HB2 CYS A 28 -4.712 -16.887 -7.347 1.00 40.05 H new ATOM 0 HB3 CYS A 28 -4.832 -17.121 -5.614 1.00 40.05 H new ATOM 441 N PRO A 29 -5.762 -20.039 -5.926 1.00 13.33 N ATOM 442 CA PRO A 29 -7.000 -20.810 -6.072 1.00 13.01 C ATOM 443 C PRO A 29 -8.184 -19.936 -6.472 1.00 11.14 C ATOM 444 O PRO A 29 -8.009 -18.804 -6.922 1.00 52.50 O ATOM 445 CB PRO A 29 -7.218 -21.399 -4.676 1.00 61.51 C ATOM 446 CG PRO A 29 -6.515 -20.463 -3.756 1.00 4.15 C ATOM 447 CD PRO A 29 -5.330 -19.941 -4.521 1.00 55.23 C ATOM 0 HA PRO A 29 -6.922 -21.560 -6.859 1.00 13.01 H new ATOM 0 HB2 PRO A 29 -8.279 -21.467 -4.436 1.00 61.51 H new ATOM 0 HB3 PRO A 29 -6.809 -22.407 -4.603 1.00 61.51 H new ATOM 0 HG2 PRO A 29 -7.172 -19.649 -3.451 1.00 4.15 H new ATOM 0 HG3 PRO A 29 -6.198 -20.974 -2.847 1.00 4.15 H new ATOM 0 HD2 PRO A 29 -5.093 -18.914 -4.244 1.00 55.23 H new ATOM 0 HD3 PRO A 29 -4.436 -20.536 -4.333 1.00 55.23 H new ATOM 455 N LYS A 30 -9.390 -20.468 -6.304 1.00 21.24 N ATOM 456 CA LYS A 30 -10.604 -19.737 -6.645 1.00 11.51 C ATOM 457 C LYS A 30 -11.344 -19.294 -5.387 1.00 12.32 C ATOM 458 O LYS A 30 -12.489 -18.847 -5.453 1.00 55.43 O ATOM 459 CB LYS A 30 -11.521 -20.604 -7.510 1.00 21.30 C ATOM 460 CG LYS A 30 -11.275 -20.451 -9.001 1.00 2.31 C ATOM 461 CD LYS A 30 -12.543 -20.053 -9.737 1.00 71.24 C ATOM 462 CE LYS A 30 -12.730 -18.544 -9.751 1.00 43.25 C ATOM 463 NZ LYS A 30 -11.648 -17.858 -10.512 1.00 31.32 N ATOM 0 H LYS A 30 -9.552 -21.404 -5.933 1.00 21.24 H new ATOM 0 HA LYS A 30 -10.317 -18.849 -7.208 1.00 11.51 H new ATOM 0 HB2 LYS A 30 -11.385 -21.650 -7.233 1.00 21.30 H new ATOM 0 HB3 LYS A 30 -12.558 -20.349 -7.293 1.00 21.30 H new ATOM 0 HG2 LYS A 30 -10.505 -19.698 -9.168 1.00 2.31 H new ATOM 0 HG3 LYS A 30 -10.897 -21.389 -9.407 1.00 2.31 H new ATOM 0 HD2 LYS A 30 -12.502 -20.425 -10.761 1.00 71.24 H new ATOM 0 HD3 LYS A 30 -13.404 -20.523 -9.261 1.00 71.24 H new ATOM 0 HE2 LYS A 30 -13.696 -18.302 -10.195 1.00 43.25 H new ATOM 0 HE3 LYS A 30 -12.747 -18.171 -8.727 1.00 43.25 H new ATOM 0 HZ1 LYS A 30 -11.997 -16.943 -10.863 1.00 31.32 H new ATOM 0 HZ2 LYS A 30 -10.831 -17.701 -9.888 1.00 31.32 H new ATOM 0 HZ3 LYS A 30 -11.360 -18.451 -11.317 1.00 31.32 H new ATOM 477 N PHE A 31 -10.682 -19.419 -4.241 1.00 74.43 N ATOM 478 CA PHE A 31 -11.278 -19.031 -2.968 1.00 22.51 C ATOM 479 C PHE A 31 -11.058 -17.546 -2.695 1.00 21.53 C ATOM 480 O PHE A 31 -10.367 -16.861 -3.449 1.00 22.23 O ATOM 481 CB PHE A 31 -10.686 -19.864 -1.829 1.00 64.31 C ATOM 482 CG PHE A 31 -11.696 -20.269 -0.794 1.00 72.33 C ATOM 483 CD1 PHE A 31 -12.844 -20.954 -1.159 1.00 30.33 C ATOM 484 CD2 PHE A 31 -11.498 -19.964 0.543 1.00 75.42 C ATOM 485 CE1 PHE A 31 -13.776 -21.329 -0.209 1.00 41.10 C ATOM 486 CE2 PHE A 31 -12.426 -20.337 1.497 1.00 55.31 C ATOM 487 CZ PHE A 31 -13.567 -21.019 1.120 1.00 11.44 C ATOM 0 H PHE A 31 -9.733 -19.786 -4.168 1.00 74.43 H new ATOM 0 HA PHE A 31 -12.351 -19.217 -3.025 1.00 22.51 H new ATOM 0 HB2 PHE A 31 -10.226 -20.760 -2.246 1.00 64.31 H new ATOM 0 HB3 PHE A 31 -9.892 -19.293 -1.347 1.00 64.31 H new ATOM 0 HD1 PHE A 31 -13.013 -21.198 -2.198 1.00 30.33 H new ATOM 0 HD2 PHE A 31 -10.609 -19.429 0.843 1.00 75.42 H new ATOM 0 HE1 PHE A 31 -14.666 -21.864 -0.506 1.00 41.10 H new ATOM 0 HE2 PHE A 31 -12.259 -20.096 2.536 1.00 55.31 H new ATOM 0 HZ PHE A 31 -14.294 -21.309 1.864 1.00 11.44 H new ATOM 497 N ASP A 32 -11.651 -17.056 -1.612 1.00 30.32 N ATOM 498 CA ASP A 32 -11.520 -15.653 -1.238 1.00 14.14 C ATOM 499 C ASP A 32 -10.064 -15.299 -0.954 1.00 63.33 C ATOM 500 O ASP A 32 -9.253 -16.170 -0.640 1.00 15.11 O ATOM 501 CB ASP A 32 -12.380 -15.348 -0.010 1.00 31.22 C ATOM 502 CG ASP A 32 -11.902 -16.082 1.228 1.00 53.40 C ATOM 503 OD1 ASP A 32 -12.596 -17.024 1.664 1.00 22.43 O ATOM 504 OD2 ASP A 32 -10.834 -15.713 1.760 1.00 74.40 O ATOM 0 H ASP A 32 -12.227 -17.610 -0.978 1.00 30.32 H new ATOM 0 HA ASP A 32 -11.866 -15.046 -2.075 1.00 14.14 H new ATOM 0 HB2 ASP A 32 -12.369 -14.275 0.180 1.00 31.22 H new ATOM 0 HB3 ASP A 32 -13.414 -15.624 -0.216 1.00 31.22 H new ATOM 509 N ASN A 33 -9.739 -14.016 -1.069 1.00 45.23 N ATOM 510 CA ASN A 33 -8.379 -13.547 -0.827 1.00 62.22 C ATOM 511 C ASN A 33 -7.375 -14.334 -1.665 1.00 11.40 C ATOM 512 O ASN A 33 -6.193 -14.410 -1.328 1.00 74.43 O ATOM 513 CB ASN A 33 -8.031 -13.673 0.657 1.00 25.14 C ATOM 514 CG ASN A 33 -6.766 -12.919 1.020 1.00 23.24 C ATOM 515 OD1 ASN A 33 -6.134 -12.296 0.167 1.00 72.54 O ATOM 516 ND2 ASN A 33 -6.390 -12.973 2.293 1.00 41.21 N ATOM 0 H ASN A 33 -10.398 -13.282 -1.328 1.00 45.23 H new ATOM 0 HA ASN A 33 -8.325 -12.498 -1.118 1.00 62.22 H new ATOM 0 HB2 ASN A 33 -8.860 -13.295 1.255 1.00 25.14 H new ATOM 0 HB3 ASN A 33 -7.909 -14.726 0.911 1.00 25.14 H new ATOM 0 HD21 ASN A 33 -5.547 -12.486 2.597 1.00 41.21 H new ATOM 0 HD22 ASN A 33 -6.944 -13.502 2.967 1.00 41.21 H new ATOM 523 N LYS A 34 -7.854 -14.916 -2.759 1.00 21.21 N ATOM 524 CA LYS A 34 -7.000 -15.696 -3.647 1.00 40.54 C ATOM 525 C LYS A 34 -7.510 -15.635 -5.084 1.00 2.33 C ATOM 526 O LYS A 34 -7.403 -16.606 -5.833 1.00 53.32 O ATOM 527 CB LYS A 34 -6.935 -17.151 -3.179 1.00 74.12 C ATOM 528 CG LYS A 34 -5.854 -17.410 -2.145 1.00 1.24 C ATOM 529 CD LYS A 34 -6.427 -17.453 -0.738 1.00 3.21 C ATOM 530 CE LYS A 34 -7.336 -18.656 -0.543 1.00 71.40 C ATOM 531 NZ LYS A 34 -6.692 -19.709 0.290 1.00 62.32 N ATOM 0 H LYS A 34 -8.829 -14.862 -3.052 1.00 21.21 H new ATOM 0 HA LYS A 34 -5.999 -15.267 -3.616 1.00 40.54 H new ATOM 0 HB2 LYS A 34 -7.901 -17.433 -2.760 1.00 74.12 H new ATOM 0 HB3 LYS A 34 -6.762 -17.794 -4.042 1.00 74.12 H new ATOM 0 HG2 LYS A 34 -5.357 -18.355 -2.366 1.00 1.24 H new ATOM 0 HG3 LYS A 34 -5.096 -16.629 -2.206 1.00 1.24 H new ATOM 0 HD2 LYS A 34 -5.613 -17.489 -0.014 1.00 3.21 H new ATOM 0 HD3 LYS A 34 -6.986 -16.538 -0.544 1.00 3.21 H new ATOM 0 HE2 LYS A 34 -8.265 -18.336 -0.070 1.00 71.40 H new ATOM 0 HE3 LYS A 34 -7.600 -19.073 -1.515 1.00 71.40 H new ATOM 0 HZ1 LYS A 34 -7.344 -20.512 0.399 1.00 62.32 H new ATOM 0 HZ2 LYS A 34 -5.819 -20.032 -0.173 1.00 62.32 H new ATOM 0 HZ3 LYS A 34 -6.463 -19.319 1.226 1.00 62.32 H new ATOM 545 N LYS A 35 -8.063 -14.487 -5.462 1.00 60.42 N ATOM 546 CA LYS A 35 -8.587 -14.298 -6.810 1.00 11.14 C ATOM 547 C LYS A 35 -7.520 -13.718 -7.732 1.00 44.01 C ATOM 548 O LYS A 35 -6.571 -13.079 -7.276 1.00 10.20 O ATOM 549 CB LYS A 35 -9.807 -13.374 -6.779 1.00 63.04 C ATOM 550 CG LYS A 35 -9.451 -11.898 -6.724 1.00 62.52 C ATOM 551 CD LYS A 35 -10.693 -11.028 -6.632 1.00 20.33 C ATOM 552 CE LYS A 35 -10.355 -9.623 -6.157 1.00 32.30 C ATOM 553 NZ LYS A 35 -11.579 -8.831 -5.854 1.00 11.01 N ATOM 0 H LYS A 35 -8.160 -13.674 -4.854 1.00 60.42 H new ATOM 0 HA LYS A 35 -8.886 -15.272 -7.197 1.00 11.14 H new ATOM 0 HB2 LYS A 35 -10.415 -13.560 -7.664 1.00 63.04 H new ATOM 0 HB3 LYS A 35 -10.420 -13.624 -5.913 1.00 63.04 H new ATOM 0 HG2 LYS A 35 -8.809 -11.709 -5.863 1.00 62.52 H new ATOM 0 HG3 LYS A 35 -8.881 -11.627 -7.613 1.00 62.52 H new ATOM 0 HD2 LYS A 35 -11.176 -10.977 -7.608 1.00 20.33 H new ATOM 0 HD3 LYS A 35 -11.407 -11.483 -5.946 1.00 20.33 H new ATOM 0 HE2 LYS A 35 -9.730 -9.681 -5.266 1.00 32.30 H new ATOM 0 HE3 LYS A 35 -9.771 -9.111 -6.922 1.00 32.30 H new ATOM 0 HZ1 LYS A 35 -11.307 -7.880 -5.534 1.00 11.01 H new ATOM 0 HZ2 LYS A 35 -12.163 -8.754 -6.711 1.00 11.01 H new ATOM 0 HZ3 LYS A 35 -12.123 -9.306 -5.106 1.00 11.01 H new ATOM 567 N CYS A 36 -7.681 -13.944 -9.032 1.00 0.34 N ATOM 568 CA CYS A 36 -6.732 -13.443 -10.019 1.00 33.12 C ATOM 569 C CYS A 36 -7.430 -12.547 -11.038 1.00 41.01 C ATOM 570 O CYS A 36 -8.529 -12.853 -11.502 1.00 0.11 O ATOM 571 CB CYS A 36 -6.045 -14.608 -10.734 1.00 34.45 C ATOM 572 SG CYS A 36 -4.270 -14.345 -11.048 1.00 74.32 S ATOM 0 H CYS A 36 -8.460 -14.471 -9.426 1.00 0.34 H new ATOM 0 HA CYS A 36 -5.980 -12.852 -9.496 1.00 33.12 H new ATOM 0 HB2 CYS A 36 -6.167 -15.511 -10.135 1.00 34.45 H new ATOM 0 HB3 CYS A 36 -6.549 -14.785 -11.684 1.00 34.45 H new ATOM 577 N THR A 37 -6.783 -11.438 -11.383 1.00 53.24 N ATOM 578 CA THR A 37 -7.341 -10.497 -12.346 1.00 43.54 C ATOM 579 C THR A 37 -6.287 -10.052 -13.354 1.00 3.22 C ATOM 580 O THR A 37 -5.180 -10.591 -13.389 1.00 52.35 O ATOM 581 CB THR A 37 -7.921 -9.254 -11.646 1.00 15.33 C ATOM 582 OG1 THR A 37 -8.118 -9.523 -10.253 1.00 60.42 O ATOM 583 CG2 THR A 37 -9.242 -8.843 -12.279 1.00 51.02 C ATOM 0 H THR A 37 -5.872 -11.170 -11.010 1.00 53.24 H new ATOM 0 HA THR A 37 -8.143 -11.018 -12.868 1.00 43.54 H new ATOM 0 HB THR A 37 -7.210 -8.435 -11.761 1.00 15.33 H new ATOM 0 HG1 THR A 37 -8.485 -8.727 -9.815 1.00 60.42 H new ATOM 0 HG21 THR A 37 -9.632 -7.963 -11.768 1.00 51.02 H new ATOM 0 HG22 THR A 37 -9.084 -8.611 -13.332 1.00 51.02 H new ATOM 0 HG23 THR A 37 -9.957 -9.661 -12.191 1.00 51.02 H new ATOM 591 N LYS A 38 -6.636 -9.065 -14.172 1.00 11.32 N ATOM 592 CA LYS A 38 -5.720 -8.545 -15.180 1.00 4.03 C ATOM 593 C LYS A 38 -4.368 -8.203 -14.561 1.00 62.14 C ATOM 594 O LYS A 38 -4.285 -7.844 -13.387 1.00 21.45 O ATOM 595 CB LYS A 38 -6.315 -7.304 -15.849 1.00 0.15 C ATOM 596 CG LYS A 38 -6.363 -7.394 -17.364 1.00 41.40 C ATOM 597 CD LYS A 38 -7.691 -6.898 -17.910 1.00 53.03 C ATOM 598 CE LYS A 38 -7.908 -7.353 -19.345 1.00 55.13 C ATOM 599 NZ LYS A 38 -9.258 -7.953 -19.539 1.00 4.21 N ATOM 0 H LYS A 38 -7.548 -8.609 -14.156 1.00 11.32 H new ATOM 0 HA LYS A 38 -5.571 -9.319 -15.933 1.00 4.03 H new ATOM 0 HB2 LYS A 38 -7.325 -7.147 -15.471 1.00 0.15 H new ATOM 0 HB3 LYS A 38 -5.728 -6.431 -15.564 1.00 0.15 H new ATOM 0 HG2 LYS A 38 -5.551 -6.805 -17.790 1.00 41.40 H new ATOM 0 HG3 LYS A 38 -6.204 -8.427 -17.673 1.00 41.40 H new ATOM 0 HD2 LYS A 38 -8.504 -7.266 -17.284 1.00 53.03 H new ATOM 0 HD3 LYS A 38 -7.721 -5.809 -17.864 1.00 53.03 H new ATOM 0 HE2 LYS A 38 -7.788 -6.503 -20.017 1.00 55.13 H new ATOM 0 HE3 LYS A 38 -7.144 -8.083 -19.614 1.00 55.13 H new ATOM 0 HZ1 LYS A 38 -9.367 -8.250 -20.530 1.00 4.21 H new ATOM 0 HZ2 LYS A 38 -9.364 -8.779 -18.916 1.00 4.21 H new ATOM 0 HZ3 LYS A 38 -9.987 -7.249 -19.307 1.00 4.21 H new ATOM 613 N ASP A 39 -3.312 -8.315 -15.360 1.00 20.13 N ATOM 614 CA ASP A 39 -1.964 -8.015 -14.891 1.00 61.22 C ATOM 615 C ASP A 39 -1.902 -6.624 -14.269 1.00 10.14 C ATOM 616 O ASP A 39 -1.502 -6.466 -13.116 1.00 70.30 O ATOM 617 CB ASP A 39 -0.966 -8.116 -16.046 1.00 3.24 C ATOM 618 CG ASP A 39 -1.552 -7.643 -17.361 1.00 51.51 C ATOM 619 OD1 ASP A 39 -2.124 -8.479 -18.091 1.00 60.03 O ATOM 620 OD2 ASP A 39 -1.440 -6.435 -17.660 1.00 21.41 O ATOM 0 H ASP A 39 -3.364 -8.611 -16.335 1.00 20.13 H new ATOM 0 HA ASP A 39 -1.700 -8.746 -14.127 1.00 61.22 H new ATOM 0 HB2 ASP A 39 -0.082 -7.523 -15.811 1.00 3.24 H new ATOM 0 HB3 ASP A 39 -0.638 -9.150 -16.149 1.00 3.24 H new ATOM 625 N ASN A 40 -2.300 -5.618 -15.040 1.00 42.54 N ATOM 626 CA ASN A 40 -2.288 -4.239 -14.565 1.00 41.21 C ATOM 627 C ASN A 40 -3.550 -3.928 -13.766 1.00 23.02 C ATOM 628 O ASN A 40 -3.711 -2.825 -13.245 1.00 61.13 O ATOM 629 CB ASN A 40 -2.167 -3.272 -15.745 1.00 3.25 C ATOM 630 CG ASN A 40 -0.749 -3.181 -16.274 1.00 43.13 C ATOM 631 OD1 ASN A 40 -0.289 -2.109 -16.668 1.00 41.11 O ATOM 632 ND2 ASN A 40 -0.048 -4.309 -16.286 1.00 73.04 N ATOM 0 H ASN A 40 -2.635 -5.731 -15.997 1.00 42.54 H new ATOM 0 HA ASN A 40 -1.425 -4.114 -13.911 1.00 41.21 H new ATOM 0 HB2 ASN A 40 -2.831 -3.596 -16.546 1.00 3.25 H new ATOM 0 HB3 ASN A 40 -2.501 -2.282 -15.435 1.00 3.25 H new ATOM 0 HD21 ASN A 40 0.912 -4.309 -16.631 1.00 73.04 H new ATOM 0 HD22 ASN A 40 -0.469 -5.175 -15.950 1.00 73.04 H new ATOM 639 N ASN A 41 -4.441 -4.909 -13.673 1.00 33.33 N ATOM 640 CA ASN A 41 -5.689 -4.741 -12.937 1.00 11.12 C ATOM 641 C ASN A 41 -5.428 -4.164 -11.549 1.00 34.24 C ATOM 642 O ASN A 41 -5.514 -2.954 -11.341 1.00 11.34 O ATOM 643 CB ASN A 41 -6.419 -6.080 -12.816 1.00 60.31 C ATOM 644 CG ASN A 41 -7.755 -5.949 -12.110 1.00 61.25 C ATOM 645 OD1 ASN A 41 -8.732 -5.477 -12.691 1.00 13.30 O ATOM 646 ND2 ASN A 41 -7.802 -6.368 -10.851 1.00 73.02 N ATOM 0 H ASN A 41 -4.322 -5.829 -14.098 1.00 33.33 H new ATOM 0 HA ASN A 41 -6.316 -4.042 -13.490 1.00 11.12 H new ATOM 0 HB2 ASN A 41 -6.576 -6.496 -13.811 1.00 60.31 H new ATOM 0 HB3 ASN A 41 -5.791 -6.785 -12.271 1.00 60.31 H new ATOM 0 HD21 ASN A 41 -8.674 -6.305 -10.325 1.00 73.02 H new ATOM 0 HD22 ASN A 41 -6.967 -6.753 -10.410 1.00 73.02 H new ATOM 653 N LYS A 42 -5.109 -5.039 -10.601 1.00 30.10 N ATOM 654 CA LYS A 42 -4.833 -4.619 -9.232 1.00 54.33 C ATOM 655 C LYS A 42 -3.913 -5.613 -8.533 1.00 23.44 C ATOM 656 O LYS A 42 -4.044 -5.859 -7.333 1.00 51.01 O ATOM 657 CB LYS A 42 -6.140 -4.477 -8.447 1.00 64.45 C ATOM 658 CG LYS A 42 -6.878 -3.180 -8.725 1.00 14.32 C ATOM 659 CD LYS A 42 -7.835 -2.831 -7.597 1.00 54.13 C ATOM 660 CE LYS A 42 -7.348 -1.628 -6.805 1.00 1.24 C ATOM 661 NZ LYS A 42 -6.007 -1.866 -6.203 1.00 21.53 N ATOM 0 H LYS A 42 -5.035 -6.044 -10.756 1.00 30.10 H new ATOM 0 HA LYS A 42 -4.332 -3.652 -9.269 1.00 54.33 H new ATOM 0 HB2 LYS A 42 -6.793 -5.316 -8.689 1.00 64.45 H new ATOM 0 HB3 LYS A 42 -5.922 -4.540 -7.381 1.00 64.45 H new ATOM 0 HG2 LYS A 42 -6.159 -2.372 -8.856 1.00 14.32 H new ATOM 0 HG3 LYS A 42 -7.432 -3.269 -9.659 1.00 14.32 H new ATOM 0 HD2 LYS A 42 -8.823 -2.622 -8.008 1.00 54.13 H new ATOM 0 HD3 LYS A 42 -7.942 -3.687 -6.931 1.00 54.13 H new ATOM 0 HE2 LYS A 42 -7.303 -0.757 -7.459 1.00 1.24 H new ATOM 0 HE3 LYS A 42 -8.064 -1.398 -6.016 1.00 1.24 H new ATOM 0 HZ1 LYS A 42 -5.813 -1.136 -5.488 1.00 21.53 H new ATOM 0 HZ2 LYS A 42 -5.989 -2.804 -5.754 1.00 21.53 H new ATOM 0 HZ3 LYS A 42 -5.281 -1.824 -6.946 1.00 21.53 H new ATOM 675 N CYS A 43 -2.980 -6.182 -9.289 1.00 22.22 N ATOM 676 CA CYS A 43 -2.036 -7.149 -8.742 1.00 30.43 C ATOM 677 C CYS A 43 -0.911 -6.445 -7.988 1.00 73.40 C ATOM 678 O CYS A 43 -0.243 -5.563 -8.528 1.00 61.45 O ATOM 679 CB CYS A 43 -1.452 -8.013 -9.861 1.00 60.04 C ATOM 680 SG CYS A 43 -0.223 -9.233 -9.295 1.00 52.14 S ATOM 0 H CYS A 43 -2.858 -5.990 -10.283 1.00 22.22 H new ATOM 0 HA CYS A 43 -2.574 -7.788 -8.042 1.00 30.43 H new ATOM 0 HB2 CYS A 43 -2.265 -8.538 -10.362 1.00 60.04 H new ATOM 0 HB3 CYS A 43 -0.988 -7.363 -10.603 1.00 60.04 H new ATOM 685 N THR A 44 -0.707 -6.841 -6.735 1.00 72.44 N ATOM 686 CA THR A 44 0.335 -6.249 -5.907 1.00 30.03 C ATOM 687 C THR A 44 0.849 -7.245 -4.874 1.00 33.33 C ATOM 688 O THR A 44 0.200 -8.253 -4.591 1.00 54.43 O ATOM 689 CB THR A 44 -0.173 -4.989 -5.180 1.00 72.50 C ATOM 690 OG1 THR A 44 -1.548 -4.757 -5.506 1.00 31.11 O ATOM 691 CG2 THR A 44 0.656 -3.773 -5.562 1.00 4.23 C ATOM 0 H THR A 44 -1.250 -7.570 -6.272 1.00 72.44 H new ATOM 0 HA THR A 44 1.149 -5.970 -6.576 1.00 30.03 H new ATOM 0 HB THR A 44 -0.077 -5.152 -4.107 1.00 72.50 H new ATOM 0 HG1 THR A 44 -1.864 -3.955 -5.039 1.00 31.11 H new ATOM 0 HG21 THR A 44 0.279 -2.896 -5.036 1.00 4.23 H new ATOM 0 HG22 THR A 44 1.697 -3.941 -5.286 1.00 4.23 H new ATOM 0 HG23 THR A 44 0.587 -3.609 -6.637 1.00 4.23 H new ATOM 699 N VAL A 45 2.018 -6.958 -4.311 1.00 45.34 N ATOM 700 CA VAL A 45 2.619 -7.828 -3.308 1.00 33.15 C ATOM 701 C VAL A 45 2.498 -7.224 -1.913 1.00 52.31 C ATOM 702 O VAL A 45 3.071 -6.172 -1.630 1.00 13.54 O ATOM 703 CB VAL A 45 4.105 -8.095 -3.612 1.00 52.03 C ATOM 704 CG1 VAL A 45 4.851 -6.786 -3.822 1.00 14.14 C ATOM 705 CG2 VAL A 45 4.740 -8.907 -2.494 1.00 21.11 C ATOM 0 H VAL A 45 2.568 -6.128 -4.533 1.00 45.34 H new ATOM 0 HA VAL A 45 2.074 -8.772 -3.342 1.00 33.15 H new ATOM 0 HB VAL A 45 4.171 -8.674 -4.533 1.00 52.03 H new ATOM 0 HG11 VAL A 45 5.899 -6.995 -4.036 1.00 14.14 H new ATOM 0 HG12 VAL A 45 4.410 -6.247 -4.660 1.00 14.14 H new ATOM 0 HG13 VAL A 45 4.779 -6.177 -2.921 1.00 14.14 H new ATOM 0 HG21 VAL A 45 5.790 -9.086 -2.726 1.00 21.11 H new ATOM 0 HG22 VAL A 45 4.664 -8.357 -1.556 1.00 21.11 H new ATOM 0 HG23 VAL A 45 4.222 -9.861 -2.398 1.00 21.11 H new ATOM 715 N ASP A 46 1.749 -7.896 -1.046 1.00 22.21 N ATOM 716 CA ASP A 46 1.554 -7.427 0.321 1.00 51.52 C ATOM 717 C ASP A 46 1.581 -8.592 1.305 1.00 43.21 C ATOM 718 O ASP A 46 1.314 -9.736 0.937 1.00 32.31 O ATOM 719 CB ASP A 46 0.228 -6.674 0.439 1.00 12.35 C ATOM 720 CG ASP A 46 0.136 -5.508 -0.525 1.00 52.41 C ATOM 721 OD1 ASP A 46 -0.048 -5.752 -1.736 1.00 65.02 O ATOM 722 OD2 ASP A 46 0.246 -4.351 -0.069 1.00 1.33 O ATOM 0 H ASP A 46 1.267 -8.768 -1.265 1.00 22.21 H new ATOM 0 HA ASP A 46 2.372 -6.749 0.567 1.00 51.52 H new ATOM 0 HB2 ASP A 46 -0.596 -7.363 0.251 1.00 12.35 H new ATOM 0 HB3 ASP A 46 0.111 -6.308 1.459 1.00 12.35 H new ATOM 727 N THR A 47 1.908 -8.294 2.559 1.00 54.42 N ATOM 728 CA THR A 47 1.972 -9.316 3.596 1.00 44.25 C ATOM 729 C THR A 47 1.443 -8.787 4.923 1.00 1.54 C ATOM 730 O THR A 47 1.567 -9.442 5.958 1.00 24.21 O ATOM 731 CB THR A 47 3.413 -9.822 3.796 1.00 63.55 C ATOM 732 OG1 THR A 47 4.122 -9.788 2.552 1.00 73.34 O ATOM 733 CG2 THR A 47 3.417 -11.240 4.348 1.00 13.22 C ATOM 0 H THR A 47 2.133 -7.352 2.881 1.00 54.42 H new ATOM 0 HA THR A 47 1.346 -10.144 3.263 1.00 44.25 H new ATOM 0 HB THR A 47 3.907 -9.167 4.514 1.00 63.55 H new ATOM 0 HG1 THR A 47 5.038 -10.110 2.688 1.00 73.34 H new ATOM 0 HG21 THR A 47 4.445 -11.576 4.481 1.00 13.22 H new ATOM 0 HG22 THR A 47 2.902 -11.258 5.309 1.00 13.22 H new ATOM 0 HG23 THR A 47 2.906 -11.903 3.650 1.00 13.22 H new ATOM 741 N TYR A 48 0.852 -7.598 4.887 1.00 11.44 N ATOM 742 CA TYR A 48 0.305 -6.979 6.089 1.00 33.43 C ATOM 743 C TYR A 48 -1.049 -7.586 6.446 1.00 53.54 C ATOM 744 O TYR A 48 -1.328 -7.869 7.610 1.00 63.22 O ATOM 745 CB TYR A 48 0.164 -5.469 5.892 1.00 31.04 C ATOM 746 CG TYR A 48 1.462 -4.713 6.062 1.00 0.43 C ATOM 747 CD1 TYR A 48 2.248 -4.889 7.194 1.00 2.25 C ATOM 748 CD2 TYR A 48 1.902 -3.821 5.092 1.00 70.34 C ATOM 749 CE1 TYR A 48 3.435 -4.199 7.354 1.00 33.45 C ATOM 750 CE2 TYR A 48 3.088 -3.129 5.242 1.00 13.15 C ATOM 751 CZ TYR A 48 3.850 -3.321 6.376 1.00 64.14 C ATOM 752 OH TYR A 48 5.031 -2.632 6.530 1.00 24.13 O ATOM 0 H TYR A 48 0.739 -7.043 4.038 1.00 11.44 H new ATOM 0 HA TYR A 48 0.996 -7.168 6.911 1.00 33.43 H new ATOM 0 HB2 TYR A 48 -0.231 -5.276 4.895 1.00 31.04 H new ATOM 0 HB3 TYR A 48 -0.567 -5.085 6.604 1.00 31.04 H new ATOM 0 HD1 TYR A 48 1.926 -5.577 7.962 1.00 2.25 H new ATOM 0 HD2 TYR A 48 1.306 -3.666 4.205 1.00 70.34 H new ATOM 0 HE1 TYR A 48 4.034 -4.347 8.240 1.00 33.45 H new ATOM 0 HE2 TYR A 48 3.417 -2.442 4.476 1.00 13.15 H new ATOM 0 HH TYR A 48 5.178 -2.056 5.751 1.00 24.13 H new ATOM 762 N ASN A 49 -1.887 -7.782 5.433 1.00 53.32 N ATOM 763 CA ASN A 49 -3.213 -8.354 5.638 1.00 61.34 C ATOM 764 C ASN A 49 -3.220 -9.843 5.305 1.00 64.24 C ATOM 765 O ASN A 49 -4.277 -10.467 5.227 1.00 62.32 O ATOM 766 CB ASN A 49 -4.246 -7.623 4.777 1.00 25.23 C ATOM 767 CG ASN A 49 -3.975 -6.134 4.690 1.00 1.41 C ATOM 768 OD1 ASN A 49 -3.543 -5.512 5.661 1.00 14.11 O ATOM 769 ND2 ASN A 49 -4.228 -5.554 3.523 1.00 53.24 N ATOM 0 H ASN A 49 -1.672 -7.553 4.463 1.00 53.32 H new ATOM 0 HA ASN A 49 -3.475 -8.233 6.689 1.00 61.34 H new ATOM 0 HB2 ASN A 49 -4.246 -8.049 3.774 1.00 25.23 H new ATOM 0 HB3 ASN A 49 -5.241 -7.785 5.192 1.00 25.23 H new ATOM 0 HD21 ASN A 49 -4.065 -4.554 3.404 1.00 53.24 H new ATOM 0 HD22 ASN A 49 -4.585 -6.108 2.745 1.00 53.24 H new ATOM 776 N ASN A 50 -2.031 -10.406 5.110 1.00 53.34 N ATOM 777 CA ASN A 50 -1.900 -11.821 4.785 1.00 21.50 C ATOM 778 C ASN A 50 -2.455 -12.115 3.394 1.00 1.45 C ATOM 779 O ASN A 50 -2.511 -13.267 2.968 1.00 64.44 O ATOM 780 CB ASN A 50 -2.627 -12.674 5.827 1.00 62.53 C ATOM 781 CG ASN A 50 -3.455 -13.777 5.195 1.00 10.24 C ATOM 782 OD1 ASN A 50 -3.007 -14.918 5.082 1.00 42.21 O ATOM 783 ND2 ASN A 50 -4.671 -13.440 4.781 1.00 44.44 N ATOM 0 H ASN A 50 -1.145 -9.904 5.172 1.00 53.34 H new ATOM 0 HA ASN A 50 -0.840 -12.073 4.794 1.00 21.50 H new ATOM 0 HB2 ASN A 50 -1.897 -13.115 6.505 1.00 62.53 H new ATOM 0 HB3 ASN A 50 -3.275 -12.035 6.427 1.00 62.53 H new ATOM 0 HD21 ASN A 50 -5.275 -14.140 4.349 1.00 44.44 H new ATOM 0 HD22 ASN A 50 -5.001 -12.482 4.895 1.00 44.44 H new ATOM 790 N ALA A 51 -2.864 -11.063 2.693 1.00 41.42 N ATOM 791 CA ALA A 51 -3.412 -11.206 1.350 1.00 61.42 C ATOM 792 C ALA A 51 -2.327 -11.604 0.354 1.00 54.30 C ATOM 793 O ALA A 51 -1.197 -11.122 0.427 1.00 61.01 O ATOM 794 CB ALA A 51 -4.084 -9.913 0.913 1.00 72.42 C ATOM 0 H ALA A 51 -2.826 -10.102 3.033 1.00 41.42 H new ATOM 0 HA ALA A 51 -4.158 -12.000 1.372 1.00 61.42 H new ATOM 0 HB1 ALA A 51 -4.489 -10.035 -0.092 1.00 72.42 H new ATOM 0 HB2 ALA A 51 -4.893 -9.672 1.603 1.00 72.42 H new ATOM 0 HB3 ALA A 51 -3.353 -9.105 0.914 1.00 72.42 H new ATOM 800 N VAL A 52 -2.679 -12.486 -0.576 1.00 61.10 N ATOM 801 CA VAL A 52 -1.735 -12.948 -1.587 1.00 74.11 C ATOM 802 C VAL A 52 -1.688 -11.991 -2.772 1.00 43.44 C ATOM 803 O VAL A 52 -2.626 -11.228 -3.006 1.00 24.02 O ATOM 804 CB VAL A 52 -2.100 -14.356 -2.093 1.00 61.41 C ATOM 805 CG1 VAL A 52 -2.144 -15.345 -0.937 1.00 43.55 C ATOM 806 CG2 VAL A 52 -3.429 -14.329 -2.833 1.00 10.15 C ATOM 0 H VAL A 52 -3.611 -12.895 -0.650 1.00 61.10 H new ATOM 0 HA VAL A 52 -0.754 -12.983 -1.113 1.00 74.11 H new ATOM 0 HB VAL A 52 -1.329 -14.683 -2.790 1.00 61.41 H new ATOM 0 HG11 VAL A 52 -2.404 -16.334 -1.314 1.00 43.55 H new ATOM 0 HG12 VAL A 52 -1.167 -15.385 -0.455 1.00 43.55 H new ATOM 0 HG13 VAL A 52 -2.893 -15.025 -0.213 1.00 43.55 H new ATOM 0 HG21 VAL A 52 -3.671 -15.332 -3.183 1.00 10.15 H new ATOM 0 HG22 VAL A 52 -4.213 -13.981 -2.160 1.00 10.15 H new ATOM 0 HG23 VAL A 52 -3.357 -13.654 -3.686 1.00 10.15 H new ATOM 816 N ASP A 53 -0.589 -12.036 -3.518 1.00 55.05 N ATOM 817 CA ASP A 53 -0.419 -11.173 -4.682 1.00 33.41 C ATOM 818 C ASP A 53 -1.063 -11.794 -5.918 1.00 32.44 C ATOM 819 O ASP A 53 -0.462 -12.633 -6.589 1.00 21.41 O ATOM 820 CB ASP A 53 1.066 -10.917 -4.940 1.00 42.42 C ATOM 821 CG ASP A 53 1.834 -12.193 -5.222 1.00 20.15 C ATOM 822 OD1 ASP A 53 2.452 -12.288 -6.303 1.00 74.31 O ATOM 823 OD2 ASP A 53 1.818 -13.097 -4.360 1.00 2.41 O ATOM 0 H ASP A 53 0.197 -12.661 -3.338 1.00 55.05 H new ATOM 0 HA ASP A 53 -0.913 -10.224 -4.475 1.00 33.41 H new ATOM 0 HB2 ASP A 53 1.173 -10.238 -5.786 1.00 42.42 H new ATOM 0 HB3 ASP A 53 1.501 -10.418 -4.074 1.00 42.42 H new ATOM 828 N CYS A 54 -2.290 -11.377 -6.212 1.00 31.51 N ATOM 829 CA CYS A 54 -3.017 -11.893 -7.365 1.00 74.05 C ATOM 830 C CYS A 54 -4.138 -10.940 -7.773 1.00 25.14 C ATOM 831 O CYS A 54 -5.015 -10.619 -6.971 1.00 75.24 O ATOM 832 CB CYS A 54 -3.596 -13.275 -7.054 1.00 12.40 C ATOM 833 SG CYS A 54 -2.474 -14.656 -7.444 1.00 14.11 S ATOM 0 H CYS A 54 -2.802 -10.683 -5.667 1.00 31.51 H new ATOM 0 HA CYS A 54 -2.316 -11.979 -8.195 1.00 74.05 H new ATOM 0 HB2 CYS A 54 -3.855 -13.319 -5.996 1.00 12.40 H new ATOM 0 HB3 CYS A 54 -4.522 -13.404 -7.614 1.00 12.40 H new ATOM 838 N ASP A 55 -4.100 -10.492 -9.023 1.00 10.14 N ATOM 839 CA ASP A 55 -5.112 -9.577 -9.537 1.00 51.14 C ATOM 840 C ASP A 55 -4.767 -9.126 -10.953 1.00 52.03 C ATOM 841 O ASP A 55 -3.792 -9.593 -11.544 1.00 10.23 O ATOM 842 CB ASP A 55 -5.245 -8.361 -8.620 1.00 2.44 C ATOM 843 CG ASP A 55 -6.553 -8.353 -7.853 1.00 60.44 C ATOM 844 OD1 ASP A 55 -7.171 -9.431 -7.725 1.00 15.14 O ATOM 845 OD2 ASP A 55 -6.958 -7.271 -7.382 1.00 1.42 O ATOM 0 H ASP A 55 -3.380 -10.747 -9.699 1.00 10.14 H new ATOM 0 HA ASP A 55 -6.064 -10.107 -9.565 1.00 51.14 H new ATOM 0 HB2 ASP A 55 -4.414 -8.349 -7.915 1.00 2.44 H new ATOM 0 HB3 ASP A 55 -5.171 -7.451 -9.215 1.00 2.44 H new TER 850 ASP A 55