USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.32 K(o=-1.7,f=1.4) USER MOD Set 1.2: A 24 THR OG1 : rot -160:sc= -0.389 USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= -0.0821 (180deg=-0.586) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.682 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= -0.0304 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -5.01 K(o=-5,f=-12!) 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+ -139:sc= 0.116 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.02) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -112:sc= -0.386 (180deg=-3.23!) 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= -1.16 K(o=-1.2,f=-0.39) USER MOD Single : A 41 ASN : amide:sc= 0.277 K(o=0.28,f=-1.9) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 47 THR OG1 : rot -25:sc= 0.317 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.24) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.183 -0.126 -1.308 1.00 62.52 N ATOM 12 CA LYS A 2 5.484 -0.774 -1.185 1.00 73.23 C ATOM 13 C LYS A 2 5.822 -1.042 0.278 1.00 70.33 C ATOM 14 O LYS A 2 5.011 -0.788 1.169 1.00 45.30 O ATOM 15 CB LYS A 2 6.571 0.095 -1.820 1.00 45.12 C ATOM 16 CG LYS A 2 6.693 1.472 -1.192 1.00 4.44 C ATOM 17 CD LYS A 2 8.147 1.883 -1.026 1.00 51.10 C ATOM 18 CE LYS A 2 8.419 3.239 -1.660 1.00 71.44 C ATOM 19 NZ LYS A 2 7.487 4.284 -1.155 1.00 52.43 N ATOM 0 HA LYS A 2 5.438 -1.728 -1.709 1.00 73.23 H new ATOM 0 HB2 LYS A 2 7.529 -0.419 -1.738 1.00 45.12 H new ATOM 0 HB3 LYS A 2 6.359 0.207 -2.883 1.00 45.12 H new ATOM 0 HG2 LYS A 2 6.176 2.203 -1.813 1.00 4.44 H new ATOM 0 HG3 LYS A 2 6.200 1.474 -0.220 1.00 4.44 H new ATOM 0 HD2 LYS A 2 8.397 1.919 0.034 1.00 51.10 H new ATOM 0 HD3 LYS A 2 8.793 1.132 -1.480 1.00 51.10 H new ATOM 0 HE2 LYS A 2 9.446 3.538 -1.452 1.00 71.44 H new ATOM 0 HE3 LYS A 2 8.323 3.159 -2.743 1.00 71.44 H new ATOM 0 HZ1 LYS A 2 7.955 5.212 -1.189 1.00 52.43 H new ATOM 0 HZ2 LYS A 2 6.634 4.305 -1.749 1.00 52.43 H new ATOM 0 HZ3 LYS A 2 7.220 4.066 -0.174 1.00 52.43 H new ATOM 33 N TYR A 3 7.023 -1.556 0.518 1.00 42.22 N ATOM 34 CA TYR A 3 7.468 -1.859 1.873 1.00 51.10 C ATOM 35 C TYR A 3 8.778 -1.144 2.189 1.00 12.44 C ATOM 36 O TYR A 3 9.530 -0.771 1.288 1.00 13.31 O ATOM 37 CB TYR A 3 7.643 -3.368 2.049 1.00 33.31 C ATOM 38 CG TYR A 3 6.480 -4.178 1.521 1.00 21.25 C ATOM 39 CD1 TYR A 3 6.544 -4.792 0.276 1.00 10.33 C ATOM 40 CD2 TYR A 3 5.318 -4.329 2.267 1.00 34.21 C ATOM 41 CE1 TYR A 3 5.484 -5.532 -0.210 1.00 60.14 C ATOM 42 CE2 TYR A 3 4.253 -5.069 1.789 1.00 4.11 C ATOM 43 CZ TYR A 3 4.341 -5.668 0.550 1.00 62.21 C ATOM 44 OH TYR A 3 3.283 -6.405 0.070 1.00 53.34 O ATOM 0 H TYR A 3 7.706 -1.772 -0.208 1.00 42.22 H new ATOM 0 HA TYR A 3 6.705 -1.505 2.566 1.00 51.10 H new ATOM 0 HB2 TYR A 3 8.554 -3.682 1.540 1.00 33.31 H new ATOM 0 HB3 TYR A 3 7.778 -3.589 3.108 1.00 33.31 H new ATOM 0 HD1 TYR A 3 7.438 -4.689 -0.322 1.00 10.33 H new ATOM 0 HD2 TYR A 3 5.245 -3.860 3.237 1.00 34.21 H new ATOM 0 HE1 TYR A 3 5.550 -6.002 -1.180 1.00 60.14 H new ATOM 0 HE2 TYR A 3 3.357 -5.177 2.382 1.00 4.11 H new ATOM 0 HH TYR A 3 2.557 -6.402 0.728 1.00 53.34 H new ATOM 54 N THR A 4 9.045 -0.955 3.478 1.00 65.40 N ATOM 55 CA THR A 4 10.263 -0.285 3.916 1.00 42.24 C ATOM 56 C THR A 4 11.038 -1.144 4.908 1.00 33.23 C ATOM 57 O THR A 4 10.464 -1.695 5.847 1.00 62.10 O ATOM 58 CB THR A 4 9.952 1.076 4.566 1.00 42.52 C ATOM 59 OG1 THR A 4 9.122 1.856 3.698 1.00 73.32 O ATOM 60 CG2 THR A 4 11.234 1.838 4.867 1.00 24.32 C ATOM 0 H THR A 4 8.434 -1.257 4.237 1.00 65.40 H new ATOM 0 HA THR A 4 10.872 -0.124 3.027 1.00 42.24 H new ATOM 0 HB THR A 4 9.427 0.893 5.504 1.00 42.52 H new ATOM 0 HG1 THR A 4 8.928 2.719 4.120 1.00 73.32 H new ATOM 0 HG21 THR A 4 10.989 2.796 5.326 1.00 24.32 H new ATOM 0 HG22 THR A 4 11.851 1.256 5.551 1.00 24.32 H new ATOM 0 HG23 THR A 4 11.782 2.009 3.940 1.00 24.32 H new ATOM 68 N GLY A 5 12.346 -1.254 4.695 1.00 75.12 N ATOM 69 CA GLY A 5 13.178 -2.048 5.580 1.00 15.10 C ATOM 70 C GLY A 5 14.655 -1.765 5.396 1.00 42.42 C ATOM 71 O GLY A 5 15.032 -0.747 4.814 1.00 25.21 O ATOM 0 H GLY A 5 12.844 -0.807 3.925 1.00 75.12 H new ATOM 0 HA2 GLY A 5 12.899 -1.846 6.614 1.00 15.10 H new ATOM 0 HA3 GLY A 5 12.989 -3.106 5.399 1.00 15.10 H new ATOM 75 N LYS A 6 15.495 -2.666 5.894 1.00 43.52 N ATOM 76 CA LYS A 6 16.941 -2.509 5.782 1.00 14.53 C ATOM 77 C LYS A 6 17.603 -3.827 5.396 1.00 71.11 C ATOM 78 O LYS A 6 17.033 -4.901 5.592 1.00 53.24 O ATOM 79 CB LYS A 6 17.523 -2.001 7.104 1.00 74.24 C ATOM 80 CG LYS A 6 16.536 -1.199 7.935 1.00 60.42 C ATOM 81 CD LYS A 6 17.246 -0.205 8.838 1.00 44.02 C ATOM 82 CE LYS A 6 16.306 0.364 9.889 1.00 20.44 C ATOM 83 NZ LYS A 6 16.524 -0.261 11.224 1.00 54.33 N ATOM 0 H LYS A 6 15.199 -3.513 6.379 1.00 43.52 H new ATOM 0 HA LYS A 6 17.143 -1.779 4.998 1.00 14.53 H new ATOM 0 HB2 LYS A 6 17.870 -2.852 7.689 1.00 74.24 H new ATOM 0 HB3 LYS A 6 18.395 -1.382 6.893 1.00 74.24 H new ATOM 0 HG2 LYS A 6 15.851 -0.667 7.275 1.00 60.42 H new ATOM 0 HG3 LYS A 6 15.934 -1.876 8.541 1.00 60.42 H new ATOM 0 HD2 LYS A 6 18.088 -0.694 9.328 1.00 44.02 H new ATOM 0 HD3 LYS A 6 17.655 0.607 8.237 1.00 44.02 H new ATOM 0 HE2 LYS A 6 16.454 1.441 9.964 1.00 20.44 H new ATOM 0 HE3 LYS A 6 15.274 0.205 9.578 1.00 20.44 H new ATOM 0 HZ1 LYS A 6 15.864 0.153 11.913 1.00 54.33 H new ATOM 0 HZ2 LYS A 6 16.358 -1.286 11.159 1.00 54.33 H new ATOM 0 HZ3 LYS A 6 17.502 -0.087 11.533 1.00 54.33 H new ATOM 97 N CYS A 7 18.810 -3.739 4.848 1.00 61.33 N ATOM 98 CA CYS A 7 19.551 -4.925 4.435 1.00 41.13 C ATOM 99 C CYS A 7 20.750 -5.162 5.348 1.00 23.41 C ATOM 100 O CYS A 7 20.883 -4.529 6.396 1.00 73.11 O ATOM 101 CB CYS A 7 20.021 -4.780 2.986 1.00 54.42 C ATOM 102 SG CYS A 7 18.938 -3.740 1.954 1.00 13.41 S ATOM 0 H CYS A 7 19.296 -2.858 4.679 1.00 61.33 H new ATOM 0 HA CYS A 7 18.884 -5.784 4.509 1.00 41.13 H new ATOM 0 HB2 CYS A 7 21.025 -4.356 2.982 1.00 54.42 H new ATOM 0 HB3 CYS A 7 20.091 -5.771 2.537 1.00 54.42 H new ATOM 107 N THR A 8 21.623 -6.080 4.943 1.00 1.12 N ATOM 108 CA THR A 8 22.811 -6.402 5.724 1.00 34.41 C ATOM 109 C THR A 8 24.051 -6.459 4.840 1.00 4.33 C ATOM 110 O THR A 8 24.155 -7.303 3.950 1.00 32.23 O ATOM 111 CB THR A 8 22.654 -7.749 6.455 1.00 35.03 C ATOM 112 OG1 THR A 8 21.304 -8.215 6.340 1.00 44.23 O ATOM 113 CG2 THR A 8 23.024 -7.614 7.924 1.00 5.44 C ATOM 0 H THR A 8 21.529 -6.613 4.079 1.00 1.12 H new ATOM 0 HA THR A 8 22.930 -5.608 6.461 1.00 34.41 H new ATOM 0 HB THR A 8 23.328 -8.469 5.991 1.00 35.03 H new ATOM 0 HG1 THR A 8 21.213 -9.072 6.806 1.00 44.23 H new ATOM 0 HG21 THR A 8 22.905 -8.578 8.419 1.00 5.44 H new ATOM 0 HG22 THR A 8 24.060 -7.287 8.010 1.00 5.44 H new ATOM 0 HG23 THR A 8 22.372 -6.880 8.397 1.00 5.44 H new ATOM 121 N LYS A 9 24.992 -5.555 5.091 1.00 3.23 N ATOM 122 CA LYS A 9 26.228 -5.502 4.320 1.00 65.12 C ATOM 123 C LYS A 9 26.917 -6.863 4.302 1.00 41.00 C ATOM 124 O LYS A 9 27.715 -7.154 3.411 1.00 4.41 O ATOM 125 CB LYS A 9 27.173 -4.448 4.903 1.00 71.34 C ATOM 126 CG LYS A 9 27.823 -4.870 6.209 1.00 71.10 C ATOM 127 CD LYS A 9 29.252 -5.341 5.994 1.00 13.35 C ATOM 128 CE LYS A 9 30.203 -4.168 5.808 1.00 33.42 C ATOM 129 NZ LYS A 9 31.338 -4.217 6.770 1.00 24.32 N ATOM 0 H LYS A 9 24.922 -4.848 5.823 1.00 3.23 H new ATOM 0 HA LYS A 9 25.976 -5.228 3.296 1.00 65.12 H new ATOM 0 HB2 LYS A 9 27.952 -4.228 4.174 1.00 71.34 H new ATOM 0 HB3 LYS A 9 26.618 -3.524 5.065 1.00 71.34 H new ATOM 0 HG2 LYS A 9 27.816 -4.033 6.907 1.00 71.10 H new ATOM 0 HG3 LYS A 9 27.240 -5.670 6.665 1.00 71.10 H new ATOM 0 HD2 LYS A 9 29.572 -5.938 6.848 1.00 13.35 H new ATOM 0 HD3 LYS A 9 29.295 -5.988 5.118 1.00 13.35 H new ATOM 0 HE2 LYS A 9 30.590 -4.172 4.789 1.00 33.42 H new ATOM 0 HE3 LYS A 9 29.657 -3.234 5.938 1.00 33.42 H new ATOM 0 HZ1 LYS A 9 31.963 -3.401 6.611 1.00 24.32 H new ATOM 0 HZ2 LYS A 9 30.970 -4.187 7.742 1.00 24.32 H new ATOM 0 HZ3 LYS A 9 31.875 -5.097 6.629 1.00 24.32 H new ATOM 143 N SER A 10 26.602 -7.694 5.291 1.00 51.35 N ATOM 144 CA SER A 10 27.192 -9.023 5.389 1.00 24.42 C ATOM 145 C SER A 10 27.156 -9.735 4.040 1.00 24.23 C ATOM 146 O SER A 10 28.174 -9.848 3.357 1.00 62.12 O ATOM 147 CB SER A 10 26.453 -9.856 6.438 1.00 21.31 C ATOM 148 OG SER A 10 26.627 -11.243 6.204 1.00 45.12 O ATOM 0 H SER A 10 25.942 -7.470 6.035 1.00 51.35 H new ATOM 0 HA SER A 10 28.233 -8.910 5.692 1.00 24.42 H new ATOM 0 HB2 SER A 10 26.821 -9.603 7.432 1.00 21.31 H new ATOM 0 HB3 SER A 10 25.391 -9.611 6.419 1.00 21.31 H new ATOM 0 HG SER A 10 26.146 -11.753 6.889 1.00 45.12 H new ATOM 154 N LYS A 11 25.976 -10.215 3.663 1.00 40.52 N ATOM 155 CA LYS A 11 25.804 -10.915 2.396 1.00 51.13 C ATOM 156 C LYS A 11 24.725 -10.248 1.548 1.00 63.33 C ATOM 157 O LYS A 11 24.290 -10.797 0.536 1.00 24.34 O ATOM 158 CB LYS A 11 25.439 -12.380 2.645 1.00 73.13 C ATOM 159 CG LYS A 11 24.367 -12.568 3.704 1.00 20.24 C ATOM 160 CD LYS A 11 23.922 -14.018 3.796 1.00 30.22 C ATOM 161 CE LYS A 11 24.684 -14.768 4.878 1.00 10.33 C ATOM 162 NZ LYS A 11 25.352 -15.986 4.343 1.00 20.34 N ATOM 0 H LYS A 11 25.124 -10.132 4.217 1.00 40.52 H new ATOM 0 HA LYS A 11 26.748 -10.869 1.853 1.00 51.13 H new ATOM 0 HB2 LYS A 11 25.097 -12.824 1.710 1.00 73.13 H new ATOM 0 HB3 LYS A 11 26.335 -12.923 2.946 1.00 73.13 H new ATOM 0 HG2 LYS A 11 24.749 -12.242 4.671 1.00 20.24 H new ATOM 0 HG3 LYS A 11 23.509 -11.937 3.471 1.00 20.24 H new ATOM 0 HD2 LYS A 11 22.853 -14.059 4.007 1.00 30.22 H new ATOM 0 HD3 LYS A 11 24.076 -14.508 2.835 1.00 30.22 H new ATOM 0 HE2 LYS A 11 25.431 -14.108 5.320 1.00 10.33 H new ATOM 0 HE3 LYS A 11 23.997 -15.051 5.676 1.00 10.33 H new ATOM 0 HZ1 LYS A 11 25.860 -16.469 5.111 1.00 20.34 H new ATOM 0 HZ2 LYS A 11 24.637 -16.627 3.944 1.00 20.34 H new ATOM 0 HZ3 LYS A 11 26.026 -15.714 3.599 1.00 20.34 H new ATOM 176 N ASN A 12 24.299 -9.061 1.967 1.00 63.15 N ATOM 177 CA ASN A 12 23.272 -8.319 1.244 1.00 21.33 C ATOM 178 C ASN A 12 21.936 -9.055 1.290 1.00 3.12 C ATOM 179 O ASN A 12 21.821 -10.182 0.810 1.00 21.13 O ATOM 180 CB ASN A 12 23.698 -8.102 -0.209 1.00 54.41 C ATOM 181 CG ASN A 12 22.593 -8.439 -1.192 1.00 13.23 C ATOM 182 OD1 ASN A 12 22.467 -9.581 -1.633 1.00 52.03 O ATOM 183 ND2 ASN A 12 21.786 -7.443 -1.539 1.00 13.12 N ATOM 0 H ASN A 12 24.649 -8.592 2.803 1.00 63.15 H new ATOM 0 HA ASN A 12 23.150 -7.350 1.728 1.00 21.33 H new ATOM 0 HB2 ASN A 12 23.998 -7.063 -0.346 1.00 54.41 H new ATOM 0 HB3 ASN A 12 24.572 -8.717 -0.424 1.00 54.41 H new ATOM 0 HD21 ASN A 12 21.024 -7.609 -2.196 1.00 13.12 H new ATOM 0 HD22 ASN A 12 21.928 -6.512 -1.148 1.00 13.12 H new ATOM 190 N GLU A 13 20.930 -8.408 1.870 1.00 22.13 N ATOM 191 CA GLU A 13 19.603 -9.002 1.979 1.00 53.54 C ATOM 192 C GLU A 13 18.637 -8.051 2.681 1.00 43.23 C ATOM 193 O GLU A 13 18.611 -7.970 3.909 1.00 2.22 O ATOM 194 CB GLU A 13 19.673 -10.328 2.739 1.00 40.43 C ATOM 195 CG GLU A 13 19.330 -11.537 1.886 1.00 75.24 C ATOM 196 CD GLU A 13 19.480 -12.844 2.639 1.00 31.33 C ATOM 197 OE1 GLU A 13 19.346 -13.912 2.006 1.00 70.41 O ATOM 198 OE2 GLU A 13 19.731 -12.800 3.862 1.00 40.44 O ATOM 0 H GLU A 13 21.009 -7.474 2.271 1.00 22.13 H new ATOM 0 HA GLU A 13 19.234 -9.189 0.971 1.00 53.54 H new ATOM 0 HB2 GLU A 13 20.677 -10.453 3.144 1.00 40.43 H new ATOM 0 HB3 GLU A 13 18.990 -10.287 3.588 1.00 40.43 H new ATOM 0 HG2 GLU A 13 18.305 -11.445 1.527 1.00 75.24 H new ATOM 0 HG3 GLU A 13 19.975 -11.552 1.008 1.00 75.24 H new ATOM 205 N CYS A 14 17.845 -7.332 1.892 1.00 63.41 N ATOM 206 CA CYS A 14 16.879 -6.386 2.435 1.00 34.15 C ATOM 207 C CYS A 14 15.617 -7.106 2.905 1.00 44.25 C ATOM 208 O CYS A 14 14.834 -7.601 2.094 1.00 33.03 O ATOM 209 CB CYS A 14 16.518 -5.334 1.385 1.00 13.32 C ATOM 210 SG CYS A 14 17.422 -3.763 1.565 1.00 4.24 S ATOM 0 H CYS A 14 17.854 -7.387 0.874 1.00 63.41 H new ATOM 0 HA CYS A 14 17.335 -5.892 3.293 1.00 34.15 H new ATOM 0 HB2 CYS A 14 16.715 -5.743 0.394 1.00 13.32 H new ATOM 0 HB3 CYS A 14 15.448 -5.133 1.440 1.00 13.32 H new ATOM 215 N LYS A 15 15.428 -7.160 4.218 1.00 12.45 N ATOM 216 CA LYS A 15 14.262 -7.817 4.797 1.00 10.45 C ATOM 217 C LYS A 15 13.033 -6.916 4.716 1.00 64.22 C ATOM 218 O LYS A 15 13.147 -5.691 4.751 1.00 14.34 O ATOM 219 CB LYS A 15 14.535 -8.194 6.255 1.00 0.33 C ATOM 220 CG LYS A 15 13.329 -8.781 6.968 1.00 40.02 C ATOM 221 CD LYS A 15 12.540 -7.711 7.704 1.00 44.22 C ATOM 222 CE LYS A 15 13.029 -7.544 9.135 1.00 53.34 C ATOM 223 NZ LYS A 15 12.374 -6.391 9.813 1.00 34.32 N ATOM 0 H LYS A 15 16.068 -6.756 4.902 1.00 12.45 H new ATOM 0 HA LYS A 15 14.065 -8.723 4.224 1.00 10.45 H new ATOM 0 HB2 LYS A 15 15.352 -8.914 6.288 1.00 0.33 H new ATOM 0 HB3 LYS A 15 14.869 -7.308 6.794 1.00 0.33 H new ATOM 0 HG2 LYS A 15 12.683 -9.277 6.244 1.00 40.02 H new ATOM 0 HG3 LYS A 15 13.658 -9.542 7.675 1.00 40.02 H new ATOM 0 HD2 LYS A 15 12.630 -6.762 7.175 1.00 44.22 H new ATOM 0 HD3 LYS A 15 11.483 -7.975 7.708 1.00 44.22 H new ATOM 0 HE2 LYS A 15 12.829 -8.457 9.696 1.00 53.34 H new ATOM 0 HE3 LYS A 15 14.109 -7.400 9.135 1.00 53.34 H new ATOM 0 HZ1 LYS A 15 12.733 -6.310 10.786 1.00 34.32 H new ATOM 0 HZ2 LYS A 15 12.585 -5.516 9.292 1.00 34.32 H new ATOM 0 HZ3 LYS A 15 11.345 -6.540 9.836 1.00 34.32 H new ATOM 237 N TYR A 16 11.861 -7.531 4.608 1.00 61.33 N ATOM 238 CA TYR A 16 10.612 -6.785 4.520 1.00 14.03 C ATOM 239 C TYR A 16 9.411 -7.712 4.682 1.00 12.03 C ATOM 240 O TYR A 16 9.557 -8.881 5.042 1.00 51.55 O ATOM 241 CB TYR A 16 10.525 -6.049 3.182 1.00 62.30 C ATOM 242 CG TYR A 16 10.149 -6.944 2.023 1.00 52.15 C ATOM 243 CD1 TYR A 16 8.903 -6.841 1.416 1.00 12.51 C ATOM 244 CD2 TYR A 16 11.038 -7.893 1.534 1.00 2.21 C ATOM 245 CE1 TYR A 16 8.554 -7.656 0.357 1.00 61.11 C ATOM 246 CE2 TYR A 16 10.699 -8.711 0.475 1.00 73.55 C ATOM 247 CZ TYR A 16 9.456 -8.590 -0.111 1.00 14.45 C ATOM 248 OH TYR A 16 9.113 -9.404 -1.165 1.00 70.23 O ATOM 0 H TYR A 16 11.750 -8.545 4.579 1.00 61.33 H new ATOM 0 HA TYR A 16 10.597 -6.055 5.330 1.00 14.03 H new ATOM 0 HB2 TYR A 16 9.791 -5.248 3.265 1.00 62.30 H new ATOM 0 HB3 TYR A 16 11.486 -5.580 2.971 1.00 62.30 H new ATOM 0 HD1 TYR A 16 8.195 -6.111 1.779 1.00 12.51 H new ATOM 0 HD2 TYR A 16 12.012 -7.993 1.991 1.00 2.21 H new ATOM 0 HE1 TYR A 16 7.581 -7.563 -0.102 1.00 61.11 H new ATOM 0 HE2 TYR A 16 11.404 -9.442 0.107 1.00 73.55 H new ATOM 0 HH TYR A 16 9.860 -10.004 -1.372 1.00 70.23 H new ATOM 258 N LYS A 17 8.222 -7.182 4.414 1.00 23.10 N ATOM 259 CA LYS A 17 6.994 -7.960 4.527 1.00 1.22 C ATOM 260 C LYS A 17 6.334 -8.135 3.163 1.00 32.54 C ATOM 261 O LYS A 17 6.199 -7.179 2.401 1.00 31.41 O ATOM 262 CB LYS A 17 6.022 -7.278 5.492 1.00 34.25 C ATOM 263 CG LYS A 17 5.843 -5.793 5.228 1.00 31.22 C ATOM 264 CD LYS A 17 6.394 -4.954 6.368 1.00 4.43 C ATOM 265 CE LYS A 17 6.222 -3.467 6.100 1.00 55.43 C ATOM 266 NZ LYS A 17 6.657 -2.639 7.259 1.00 61.23 N ATOM 0 H LYS A 17 8.083 -6.216 4.117 1.00 23.10 H new ATOM 0 HA LYS A 17 7.251 -8.945 4.916 1.00 1.22 H new ATOM 0 HB2 LYS A 17 5.052 -7.770 5.425 1.00 34.25 H new ATOM 0 HB3 LYS A 17 6.379 -7.416 6.512 1.00 34.25 H new ATOM 0 HG2 LYS A 17 6.348 -5.524 4.300 1.00 31.22 H new ATOM 0 HG3 LYS A 17 4.785 -5.572 5.091 1.00 31.22 H new ATOM 0 HD2 LYS A 17 5.885 -5.219 7.295 1.00 4.43 H new ATOM 0 HD3 LYS A 17 7.451 -5.179 6.509 1.00 4.43 H new ATOM 0 HE2 LYS A 17 6.799 -3.188 5.218 1.00 55.43 H new ATOM 0 HE3 LYS A 17 5.176 -3.257 5.876 1.00 55.43 H new ATOM 0 HZ1 LYS A 17 6.524 -1.632 7.036 1.00 61.23 H new ATOM 0 HZ2 LYS A 17 6.090 -2.886 8.095 1.00 61.23 H new ATOM 0 HZ3 LYS A 17 7.662 -2.820 7.457 1.00 61.23 H new ATOM 280 N ASN A 18 5.923 -9.363 2.864 1.00 71.43 N ATOM 281 CA ASN A 18 5.276 -9.664 1.592 1.00 55.42 C ATOM 282 C ASN A 18 3.856 -10.179 1.812 1.00 45.10 C ATOM 283 O ASN A 18 2.931 -9.807 1.090 1.00 61.30 O ATOM 284 CB ASN A 18 6.090 -10.698 0.813 1.00 45.25 C ATOM 285 CG ASN A 18 6.135 -12.044 1.510 1.00 1.41 C ATOM 286 OD1 ASN A 18 5.310 -12.919 1.248 1.00 42.04 O ATOM 287 ND2 ASN A 18 7.101 -12.214 2.405 1.00 64.32 N ATOM 0 H ASN A 18 6.026 -10.166 3.485 1.00 71.43 H new ATOM 0 HA ASN A 18 5.224 -8.742 1.013 1.00 55.42 H new ATOM 0 HB2 ASN A 18 5.660 -10.821 -0.181 1.00 45.25 H new ATOM 0 HB3 ASN A 18 7.106 -10.328 0.677 1.00 45.25 H new ATOM 0 HD21 ASN A 18 7.181 -13.098 2.907 1.00 64.32 H new ATOM 0 HD22 ASN A 18 7.763 -11.461 2.590 1.00 64.32 H new ATOM 294 N ASP A 19 3.693 -11.036 2.814 1.00 40.22 N ATOM 295 CA ASP A 19 2.387 -11.601 3.131 1.00 73.21 C ATOM 296 C ASP A 19 1.711 -10.815 4.250 1.00 4.12 C ATOM 297 O ASP A 19 1.000 -11.382 5.079 1.00 62.22 O ATOM 298 CB ASP A 19 2.527 -13.070 3.535 1.00 4.53 C ATOM 299 CG ASP A 19 1.482 -13.952 2.883 1.00 71.52 C ATOM 300 OD1 ASP A 19 0.820 -14.725 3.608 1.00 3.42 O ATOM 301 OD2 ASP A 19 1.325 -13.871 1.647 1.00 53.22 O ATOM 0 H ASP A 19 4.449 -11.354 3.420 1.00 40.22 H new ATOM 0 HA ASP A 19 1.765 -11.535 2.239 1.00 73.21 H new ATOM 0 HB2 ASP A 19 3.520 -13.426 3.261 1.00 4.53 H new ATOM 0 HB3 ASP A 19 2.445 -13.155 4.619 1.00 4.53 H new ATOM 306 N ALA A 20 1.940 -9.506 4.268 1.00 2.12 N ATOM 307 CA ALA A 20 1.353 -8.642 5.285 1.00 44.22 C ATOM 308 C ALA A 20 2.043 -8.832 6.632 1.00 42.35 C ATOM 309 O ALA A 20 1.467 -8.547 7.681 1.00 42.34 O ATOM 310 CB ALA A 20 -0.138 -8.913 5.411 1.00 54.11 C ATOM 0 H ALA A 20 2.528 -9.021 3.590 1.00 2.12 H new ATOM 0 HA ALA A 20 1.498 -7.607 4.975 1.00 44.22 H new ATOM 0 HB1 ALA A 20 -0.563 -8.261 6.174 1.00 54.11 H new ATOM 0 HB2 ALA A 20 -0.625 -8.719 4.455 1.00 54.11 H new ATOM 0 HB3 ALA A 20 -0.296 -9.954 5.694 1.00 54.11 H new ATOM 316 N GLY A 21 3.281 -9.316 6.594 1.00 10.04 N ATOM 317 CA GLY A 21 4.028 -9.536 7.819 1.00 63.53 C ATOM 318 C GLY A 21 5.088 -10.610 7.666 1.00 51.51 C ATOM 319 O GLY A 21 6.025 -10.686 8.461 1.00 14.03 O ATOM 0 H GLY A 21 3.779 -9.559 5.738 1.00 10.04 H new ATOM 0 HA2 GLY A 21 4.502 -8.603 8.125 1.00 63.53 H new ATOM 0 HA3 GLY A 21 3.340 -9.820 8.615 1.00 63.53 H new ATOM 323 N LYS A 22 4.940 -11.443 6.642 1.00 43.14 N ATOM 324 CA LYS A 22 5.892 -12.518 6.386 1.00 35.01 C ATOM 325 C LYS A 22 7.282 -11.958 6.102 1.00 32.42 C ATOM 326 O LYS A 22 7.548 -11.457 5.010 1.00 64.44 O ATOM 327 CB LYS A 22 5.423 -13.372 5.206 1.00 51.45 C ATOM 328 CG LYS A 22 4.546 -14.543 5.612 1.00 21.23 C ATOM 329 CD LYS A 22 3.556 -14.149 6.696 1.00 64.31 C ATOM 330 CE LYS A 22 2.406 -15.140 6.787 1.00 23.53 C ATOM 331 NZ LYS A 22 2.122 -15.532 8.196 1.00 63.23 N ATOM 0 H LYS A 22 4.170 -11.395 5.975 1.00 43.14 H new ATOM 0 HA LYS A 22 5.947 -13.141 7.278 1.00 35.01 H new ATOM 0 HB2 LYS A 22 4.872 -12.741 4.508 1.00 51.45 H new ATOM 0 HB3 LYS A 22 6.295 -13.750 4.673 1.00 51.45 H new ATOM 0 HG2 LYS A 22 4.005 -14.913 4.741 1.00 21.23 H new ATOM 0 HG3 LYS A 22 5.172 -15.361 5.969 1.00 21.23 H new ATOM 0 HD2 LYS A 22 4.069 -14.096 7.656 1.00 64.31 H new ATOM 0 HD3 LYS A 22 3.164 -13.153 6.488 1.00 64.31 H new ATOM 0 HE2 LYS A 22 1.512 -14.700 6.345 1.00 23.53 H new ATOM 0 HE3 LYS A 22 2.646 -16.029 6.204 1.00 23.53 H new ATOM 0 HZ1 LYS A 22 1.332 -16.208 8.216 1.00 63.23 H new ATOM 0 HZ2 LYS A 22 2.967 -15.975 8.610 1.00 63.23 H new ATOM 0 HZ3 LYS A 22 1.868 -14.687 8.747 1.00 63.23 H new ATOM 345 N ASP A 23 8.164 -12.048 7.091 1.00 30.33 N ATOM 346 CA ASP A 23 9.528 -11.553 6.947 1.00 60.24 C ATOM 347 C ASP A 23 10.282 -12.341 5.880 1.00 20.52 C ATOM 348 O ASP A 23 10.557 -13.530 6.049 1.00 72.13 O ATOM 349 CB ASP A 23 10.269 -11.640 8.282 1.00 40.22 C ATOM 350 CG ASP A 23 9.390 -11.259 9.457 1.00 25.53 C ATOM 351 OD1 ASP A 23 8.762 -12.164 10.046 1.00 22.32 O ATOM 352 OD2 ASP A 23 9.332 -10.057 9.789 1.00 73.20 O ATOM 0 H ASP A 23 7.959 -12.459 8.002 1.00 30.33 H new ATOM 0 HA ASP A 23 9.479 -10.510 6.636 1.00 60.24 H new ATOM 0 HB2 ASP A 23 10.640 -12.655 8.423 1.00 40.22 H new ATOM 0 HB3 ASP A 23 11.139 -10.984 8.255 1.00 40.22 H new ATOM 357 N THR A 24 10.614 -11.672 4.780 1.00 33.14 N ATOM 358 CA THR A 24 11.334 -12.310 3.685 1.00 15.14 C ATOM 359 C THR A 24 12.437 -11.404 3.152 1.00 43.04 C ATOM 360 O THR A 24 12.218 -10.217 2.911 1.00 12.45 O ATOM 361 CB THR A 24 10.385 -12.680 2.530 1.00 51.14 C ATOM 362 OG1 THR A 24 9.395 -13.608 2.986 1.00 12.15 O ATOM 363 CG2 THR A 24 11.158 -13.286 1.368 1.00 31.21 C ATOM 0 H THR A 24 10.395 -10.688 4.624 1.00 33.14 H new ATOM 0 HA THR A 24 11.778 -13.221 4.086 1.00 15.14 H new ATOM 0 HB THR A 24 9.896 -11.769 2.185 1.00 51.14 H new ATOM 0 HG1 THR A 24 9.007 -14.076 2.217 1.00 12.15 H new ATOM 0 HG21 THR A 24 10.467 -13.539 0.564 1.00 31.21 H new ATOM 0 HG22 THR A 24 11.891 -12.566 1.003 1.00 31.21 H new ATOM 0 HG23 THR A 24 11.671 -14.187 1.703 1.00 31.21 H new ATOM 371 N PHE A 25 13.625 -11.972 2.967 1.00 13.52 N ATOM 372 CA PHE A 25 14.764 -11.214 2.462 1.00 73.35 C ATOM 373 C PHE A 25 14.774 -11.201 0.936 1.00 71.23 C ATOM 374 O PHE A 25 14.004 -11.916 0.293 1.00 20.03 O ATOM 375 CB PHE A 25 16.072 -11.809 2.987 1.00 41.15 C ATOM 376 CG PHE A 25 16.012 -12.207 4.434 1.00 54.15 C ATOM 377 CD1 PHE A 25 15.402 -11.384 5.367 1.00 21.41 C ATOM 378 CD2 PHE A 25 16.565 -13.404 4.860 1.00 12.52 C ATOM 379 CE1 PHE A 25 15.344 -11.748 6.699 1.00 3.25 C ATOM 380 CE2 PHE A 25 16.510 -13.772 6.191 1.00 33.40 C ATOM 381 CZ PHE A 25 15.900 -12.943 7.112 1.00 71.10 C ATOM 0 H PHE A 25 13.823 -12.954 3.159 1.00 13.52 H new ATOM 0 HA PHE A 25 14.672 -10.187 2.816 1.00 73.35 H new ATOM 0 HB2 PHE A 25 16.330 -12.683 2.389 1.00 41.15 H new ATOM 0 HB3 PHE A 25 16.873 -11.082 2.851 1.00 41.15 H new ATOM 0 HD1 PHE A 25 14.967 -10.448 5.050 1.00 21.41 H new ATOM 0 HD2 PHE A 25 17.044 -14.056 4.145 1.00 12.52 H new ATOM 0 HE1 PHE A 25 14.864 -11.099 7.416 1.00 3.25 H new ATOM 0 HE2 PHE A 25 16.944 -14.708 6.511 1.00 33.40 H new ATOM 0 HZ PHE A 25 15.858 -13.229 8.153 1.00 71.10 H new ATOM 391 N ILE A 26 15.651 -10.383 0.363 1.00 73.50 N ATOM 392 CA ILE A 26 15.762 -10.277 -1.087 1.00 32.45 C ATOM 393 C ILE A 26 16.879 -9.318 -1.483 1.00 73.15 C ATOM 394 O ILE A 26 16.880 -8.151 -1.090 1.00 33.51 O ATOM 395 CB ILE A 26 14.441 -9.800 -1.719 1.00 2.21 C ATOM 396 CG1 ILE A 26 14.598 -9.657 -3.234 1.00 45.41 C ATOM 397 CG2 ILE A 26 14.004 -8.481 -1.099 1.00 53.03 C ATOM 398 CD1 ILE A 26 14.997 -10.942 -3.924 1.00 71.24 C ATOM 0 H ILE A 26 16.295 -9.784 0.880 1.00 73.50 H new ATOM 0 HA ILE A 26 15.994 -11.274 -1.461 1.00 32.45 H new ATOM 0 HB ILE A 26 13.670 -10.545 -1.522 1.00 2.21 H new ATOM 0 HG12 ILE A 26 13.657 -9.304 -3.657 1.00 45.41 H new ATOM 0 HG13 ILE A 26 15.348 -8.894 -3.443 1.00 45.41 H new ATOM 0 HG21 ILE A 26 13.069 -8.156 -1.556 1.00 53.03 H new ATOM 0 HG22 ILE A 26 13.857 -8.614 -0.027 1.00 53.03 H new ATOM 0 HG23 ILE A 26 14.772 -7.727 -1.270 1.00 53.03 H new ATOM 0 HD11 ILE A 26 15.090 -10.766 -4.996 1.00 71.24 H new ATOM 0 HD12 ILE A 26 15.953 -11.286 -3.529 1.00 71.24 H new ATOM 0 HD13 ILE A 26 14.236 -11.702 -3.746 1.00 71.24 H new ATOM 410 N LYS A 27 17.828 -9.817 -2.267 1.00 45.35 N ATOM 411 CA LYS A 27 18.951 -9.004 -2.722 1.00 32.41 C ATOM 412 C LYS A 27 18.513 -8.033 -3.814 1.00 32.43 C ATOM 413 O LYS A 27 17.670 -8.362 -4.649 1.00 14.41 O ATOM 414 CB LYS A 27 20.077 -9.900 -3.243 1.00 2.11 C ATOM 415 CG LYS A 27 19.628 -10.884 -4.309 1.00 31.20 C ATOM 416 CD LYS A 27 20.810 -11.599 -4.942 1.00 21.14 C ATOM 417 CE LYS A 27 20.745 -11.548 -6.460 1.00 51.43 C ATOM 418 NZ LYS A 27 21.501 -12.668 -7.086 1.00 55.22 N ATOM 0 H LYS A 27 17.843 -10.781 -2.601 1.00 45.35 H new ATOM 0 HA LYS A 27 19.317 -8.427 -1.873 1.00 32.41 H new ATOM 0 HB2 LYS A 27 20.870 -9.273 -3.650 1.00 2.11 H new ATOM 0 HB3 LYS A 27 20.506 -10.453 -2.407 1.00 2.11 H new ATOM 0 HG2 LYS A 27 18.952 -11.617 -3.868 1.00 31.20 H new ATOM 0 HG3 LYS A 27 19.066 -10.356 -5.079 1.00 31.20 H new ATOM 0 HD2 LYS A 27 21.739 -11.141 -4.601 1.00 21.14 H new ATOM 0 HD3 LYS A 27 20.827 -12.638 -4.612 1.00 21.14 H new ATOM 0 HE2 LYS A 27 19.704 -11.589 -6.780 1.00 51.43 H new ATOM 0 HE3 LYS A 27 21.149 -10.598 -6.809 1.00 51.43 H new ATOM 0 HZ1 LYS A 27 22.023 -12.315 -7.914 1.00 55.22 H new ATOM 0 HZ2 LYS A 27 22.172 -13.062 -6.396 1.00 55.22 H new ATOM 0 HZ3 LYS A 27 20.837 -13.410 -7.386 1.00 55.22 H new ATOM 432 N CYS A 28 19.092 -6.837 -3.802 1.00 74.33 N ATOM 433 CA CYS A 28 18.762 -5.818 -4.792 1.00 22.53 C ATOM 434 C CYS A 28 18.805 -6.397 -6.203 1.00 43.22 C ATOM 435 O CYS A 28 19.870 -6.679 -6.753 1.00 41.43 O ATOM 436 CB CYS A 28 19.731 -4.639 -4.682 1.00 70.31 C ATOM 437 SG CYS A 28 18.965 -3.016 -4.996 1.00 64.41 S ATOM 0 H CYS A 28 19.792 -6.550 -3.118 1.00 74.33 H new ATOM 0 HA CYS A 28 17.749 -5.467 -4.593 1.00 22.53 H new ATOM 0 HB2 CYS A 28 20.170 -4.635 -3.684 1.00 70.31 H new ATOM 0 HB3 CYS A 28 20.548 -4.786 -5.389 1.00 70.31 H new ATOM 442 N PRO A 29 17.620 -6.578 -6.805 1.00 22.35 N ATOM 443 CA PRO A 29 17.495 -7.124 -8.159 1.00 43.35 C ATOM 444 C PRO A 29 17.997 -6.153 -9.223 1.00 60.44 C ATOM 445 O PRO A 29 18.646 -6.556 -10.189 1.00 50.32 O ATOM 446 CB PRO A 29 15.990 -7.353 -8.312 1.00 54.12 C ATOM 447 CG PRO A 29 15.362 -6.387 -7.368 1.00 54.30 C ATOM 448 CD PRO A 29 16.311 -6.265 -6.208 1.00 52.42 C ATOM 0 HA PRO A 29 18.092 -8.026 -8.292 1.00 43.35 H new ATOM 0 HB2 PRO A 29 15.664 -7.174 -9.337 1.00 54.12 H new ATOM 0 HB3 PRO A 29 15.719 -8.380 -8.066 1.00 54.12 H new ATOM 0 HG2 PRO A 29 15.204 -5.420 -7.846 1.00 54.30 H new ATOM 0 HG3 PRO A 29 14.386 -6.742 -7.038 1.00 54.30 H new ATOM 0 HD2 PRO A 29 16.294 -5.263 -5.779 1.00 52.42 H new ATOM 0 HD3 PRO A 29 16.058 -6.960 -5.407 1.00 52.42 H new ATOM 456 N LYS A 30 17.693 -4.873 -9.040 1.00 50.13 N ATOM 457 CA LYS A 30 18.114 -3.844 -9.983 1.00 43.42 C ATOM 458 C LYS A 30 19.618 -3.915 -10.230 1.00 52.25 C ATOM 459 O LYS A 30 20.061 -4.175 -11.349 1.00 44.11 O ATOM 460 CB LYS A 30 17.738 -2.457 -9.457 1.00 42.53 C ATOM 461 CG LYS A 30 16.866 -1.660 -10.412 1.00 51.01 C ATOM 462 CD LYS A 30 17.637 -1.239 -11.652 1.00 74.22 C ATOM 463 CE LYS A 30 16.746 -0.497 -12.637 1.00 31.12 C ATOM 464 NZ LYS A 30 17.343 -0.453 -14.000 1.00 73.25 N ATOM 0 H LYS A 30 17.156 -4.523 -8.246 1.00 50.13 H new ATOM 0 HA LYS A 30 17.600 -4.020 -10.928 1.00 43.42 H new ATOM 0 HB2 LYS A 30 17.215 -2.567 -8.507 1.00 42.53 H new ATOM 0 HB3 LYS A 30 18.650 -1.895 -9.255 1.00 42.53 H new ATOM 0 HG2 LYS A 30 16.004 -2.259 -10.705 1.00 51.01 H new ATOM 0 HG3 LYS A 30 16.482 -0.776 -9.904 1.00 51.01 H new ATOM 0 HD2 LYS A 30 18.472 -0.601 -11.363 1.00 74.22 H new ATOM 0 HD3 LYS A 30 18.061 -2.120 -12.135 1.00 74.22 H new ATOM 0 HE2 LYS A 30 15.772 -0.983 -12.683 1.00 31.12 H new ATOM 0 HE3 LYS A 30 16.579 0.519 -12.281 1.00 31.12 H new ATOM 0 HZ1 LYS A 30 16.706 0.061 -14.642 1.00 73.25 H new ATOM 0 HZ2 LYS A 30 18.261 0.033 -13.961 1.00 73.25 H new ATOM 0 HZ3 LYS A 30 17.479 -1.423 -14.351 1.00 73.25 H new ATOM 478 N PHE A 31 20.397 -3.683 -9.179 1.00 63.44 N ATOM 479 CA PHE A 31 21.851 -3.722 -9.283 1.00 4.13 C ATOM 480 C PHE A 31 22.421 -4.900 -8.499 1.00 23.34 C ATOM 481 O PHE A 31 22.521 -4.854 -7.272 1.00 72.04 O ATOM 482 CB PHE A 31 22.455 -2.413 -8.769 1.00 61.20 C ATOM 483 CG PHE A 31 21.473 -1.278 -8.722 1.00 41.31 C ATOM 484 CD1 PHE A 31 20.643 -1.107 -7.626 1.00 20.01 C ATOM 485 CD2 PHE A 31 21.380 -0.381 -9.775 1.00 33.25 C ATOM 486 CE1 PHE A 31 19.738 -0.063 -7.579 1.00 45.14 C ATOM 487 CE2 PHE A 31 20.477 0.665 -9.733 1.00 64.14 C ATOM 488 CZ PHE A 31 19.655 0.824 -8.635 1.00 70.51 C ATOM 0 H PHE A 31 20.046 -3.466 -8.246 1.00 63.44 H new ATOM 0 HA PHE A 31 22.112 -3.847 -10.334 1.00 4.13 H new ATOM 0 HB2 PHE A 31 22.858 -2.576 -7.769 1.00 61.20 H new ATOM 0 HB3 PHE A 31 23.292 -2.133 -9.408 1.00 61.20 H new ATOM 0 HD1 PHE A 31 20.704 -1.798 -6.798 1.00 20.01 H new ATOM 0 HD2 PHE A 31 22.020 -0.501 -10.637 1.00 33.25 H new ATOM 0 HE1 PHE A 31 19.097 0.059 -6.718 1.00 45.14 H new ATOM 0 HE2 PHE A 31 20.415 1.358 -10.559 1.00 64.14 H new ATOM 0 HZ PHE A 31 18.949 1.640 -8.602 1.00 70.51 H new ATOM 498 N ASP A 32 22.793 -5.955 -9.215 1.00 64.22 N ATOM 499 CA ASP A 32 23.354 -7.146 -8.588 1.00 30.40 C ATOM 500 C ASP A 32 24.791 -6.900 -8.140 1.00 43.44 C ATOM 501 O ASP A 32 25.397 -7.738 -7.474 1.00 13.20 O ATOM 502 CB ASP A 32 23.304 -8.330 -9.556 1.00 1.23 C ATOM 503 CG ASP A 32 23.265 -9.664 -8.837 1.00 31.10 C ATOM 504 OD1 ASP A 32 22.228 -10.355 -8.924 1.00 63.34 O ATOM 505 OD2 ASP A 32 24.271 -10.018 -8.188 1.00 2.42 O ATOM 0 H ASP A 32 22.716 -6.010 -10.231 1.00 64.22 H new ATOM 0 HA ASP A 32 22.754 -7.380 -7.709 1.00 30.40 H new ATOM 0 HB2 ASP A 32 22.424 -8.238 -10.193 1.00 1.23 H new ATOM 0 HB3 ASP A 32 24.176 -8.298 -10.210 1.00 1.23 H new ATOM 510 N ASN A 33 25.331 -5.744 -8.513 1.00 5.32 N ATOM 511 CA ASN A 33 26.699 -5.387 -8.151 1.00 74.21 C ATOM 512 C ASN A 33 26.718 -4.174 -7.227 1.00 12.34 C ATOM 513 O ASN A 33 27.668 -3.970 -6.470 1.00 34.40 O ATOM 514 CB ASN A 33 27.522 -5.098 -9.408 1.00 11.01 C ATOM 515 CG ASN A 33 28.714 -6.025 -9.544 1.00 62.11 C ATOM 516 OD1 ASN A 33 28.932 -6.623 -10.598 1.00 24.22 O ATOM 517 ND2 ASN A 33 29.493 -6.149 -8.475 1.00 55.32 N ATOM 0 H ASN A 33 24.843 -5.039 -9.065 1.00 5.32 H new ATOM 0 HA ASN A 33 27.141 -6.231 -7.622 1.00 74.21 H new ATOM 0 HB2 ASN A 33 26.885 -5.198 -10.287 1.00 11.01 H new ATOM 0 HB3 ASN A 33 27.869 -4.065 -9.382 1.00 11.01 H new ATOM 0 HD21 ASN A 33 30.310 -6.759 -8.507 1.00 55.32 H new ATOM 0 HD22 ASN A 33 29.274 -5.634 -7.622 1.00 55.32 H new ATOM 524 N LYS A 34 25.662 -3.370 -7.293 1.00 10.25 N ATOM 525 CA LYS A 34 25.555 -2.177 -6.461 1.00 12.10 C ATOM 526 C LYS A 34 24.429 -2.324 -5.442 1.00 5.53 C ATOM 527 O LYS A 34 23.893 -1.332 -4.946 1.00 63.13 O ATOM 528 CB LYS A 34 25.310 -0.943 -7.332 1.00 43.15 C ATOM 529 CG LYS A 34 26.197 -0.883 -8.564 1.00 51.03 C ATOM 530 CD LYS A 34 27.666 -0.780 -8.190 1.00 12.33 C ATOM 531 CE LYS A 34 28.438 0.068 -9.189 1.00 73.02 C ATOM 532 NZ LYS A 34 29.822 -0.441 -9.396 1.00 74.35 N ATOM 0 H LYS A 34 24.868 -3.523 -7.914 1.00 10.25 H new ATOM 0 HA LYS A 34 26.495 -2.054 -5.923 1.00 12.10 H new ATOM 0 HB2 LYS A 34 24.266 -0.931 -7.645 1.00 43.15 H new ATOM 0 HB3 LYS A 34 25.473 -0.047 -6.733 1.00 43.15 H new ATOM 0 HG2 LYS A 34 26.037 -1.773 -9.172 1.00 51.03 H new ATOM 0 HG3 LYS A 34 25.915 -0.025 -9.175 1.00 51.03 H new ATOM 0 HD2 LYS A 34 27.759 -0.346 -7.194 1.00 12.33 H new ATOM 0 HD3 LYS A 34 28.102 -1.778 -8.145 1.00 12.33 H new ATOM 0 HE2 LYS A 34 27.909 0.079 -10.142 1.00 73.02 H new ATOM 0 HE3 LYS A 34 28.479 1.098 -8.836 1.00 73.02 H new ATOM 0 HZ1 LYS A 34 30.315 0.164 -10.083 1.00 74.35 H new ATOM 0 HZ2 LYS A 34 30.336 -0.428 -8.492 1.00 74.35 H new ATOM 0 HZ3 LYS A 34 29.783 -1.415 -9.758 1.00 74.35 H new ATOM 546 N LYS A 35 24.077 -3.566 -5.131 1.00 73.44 N ATOM 547 CA LYS A 35 23.017 -3.844 -4.169 1.00 1.21 C ATOM 548 C LYS A 35 23.363 -3.269 -2.799 1.00 34.32 C ATOM 549 O LYS A 35 24.351 -2.551 -2.647 1.00 23.13 O ATOM 550 CB LYS A 35 22.783 -5.352 -4.057 1.00 65.01 C ATOM 551 CG LYS A 35 24.002 -6.123 -3.579 1.00 41.54 C ATOM 552 CD LYS A 35 24.351 -7.258 -4.527 1.00 53.01 C ATOM 553 CE LYS A 35 23.527 -8.502 -4.233 1.00 20.31 C ATOM 554 NZ LYS A 35 23.161 -9.233 -5.478 1.00 43.41 N ATOM 0 H LYS A 35 24.511 -4.398 -5.532 1.00 73.44 H new ATOM 0 HA LYS A 35 22.103 -3.367 -4.524 1.00 1.21 H new ATOM 0 HB2 LYS A 35 21.957 -5.533 -3.370 1.00 65.01 H new ATOM 0 HB3 LYS A 35 22.478 -5.737 -5.030 1.00 65.01 H new ATOM 0 HG2 LYS A 35 24.851 -5.445 -3.493 1.00 41.54 H new ATOM 0 HG3 LYS A 35 23.812 -6.524 -2.584 1.00 41.54 H new ATOM 0 HD2 LYS A 35 24.179 -6.941 -5.555 1.00 53.01 H new ATOM 0 HD3 LYS A 35 25.412 -7.494 -4.440 1.00 53.01 H new ATOM 0 HE2 LYS A 35 24.091 -9.164 -3.576 1.00 20.31 H new ATOM 0 HE3 LYS A 35 22.620 -8.219 -3.698 1.00 20.31 H new ATOM 0 HZ1 LYS A 35 22.135 -9.164 -5.632 1.00 43.41 H new ATOM 0 HZ2 LYS A 35 23.661 -8.813 -6.287 1.00 43.41 H new ATOM 0 HZ3 LYS A 35 23.431 -10.233 -5.386 1.00 43.41 H new ATOM 568 N CYS A 36 22.543 -3.591 -1.804 1.00 11.14 N ATOM 569 CA CYS A 36 22.762 -3.108 -0.446 1.00 32.15 C ATOM 570 C CYS A 36 24.192 -3.387 0.007 1.00 43.21 C ATOM 571 O CYS A 36 24.667 -4.521 -0.058 1.00 72.44 O ATOM 572 CB CYS A 36 21.773 -3.767 0.518 1.00 30.31 C ATOM 573 SG CYS A 36 20.175 -2.903 0.650 1.00 1.54 S ATOM 0 H CYS A 36 21.721 -4.185 -1.913 1.00 11.14 H new ATOM 0 HA CYS A 36 22.601 -2.030 -0.441 1.00 32.15 H new ATOM 0 HB2 CYS A 36 21.594 -4.792 0.193 1.00 30.31 H new ATOM 0 HB3 CYS A 36 22.228 -3.821 1.507 1.00 30.31 H new ATOM 578 N THR A 37 24.876 -2.343 0.466 1.00 32.15 N ATOM 579 CA THR A 37 26.252 -2.474 0.929 1.00 74.10 C ATOM 580 C THR A 37 26.431 -1.845 2.306 1.00 41.23 C ATOM 581 O THR A 37 27.497 -1.318 2.625 1.00 23.32 O ATOM 582 CB THR A 37 27.240 -1.820 -0.055 1.00 13.31 C ATOM 583 OG1 THR A 37 26.930 -0.430 -0.208 1.00 62.15 O ATOM 584 CG2 THR A 37 27.190 -2.508 -1.410 1.00 72.44 C ATOM 0 H THR A 37 24.499 -1.397 0.527 1.00 32.15 H new ATOM 0 HA THR A 37 26.465 -3.541 0.990 1.00 74.10 H new ATOM 0 HB THR A 37 28.246 -1.925 0.351 1.00 13.31 H new ATOM 0 HG1 THR A 37 27.563 -0.021 -0.834 1.00 62.15 H new ATOM 0 HG21 THR A 37 27.896 -2.029 -2.088 1.00 72.44 H new ATOM 0 HG22 THR A 37 27.455 -3.559 -1.294 1.00 72.44 H new ATOM 0 HG23 THR A 37 26.183 -2.430 -1.821 1.00 72.44 H new ATOM 592 N LYS A 38 25.382 -1.903 3.119 1.00 40.10 N ATOM 593 CA LYS A 38 25.424 -1.340 4.464 1.00 75.44 C ATOM 594 C LYS A 38 24.483 -2.094 5.398 1.00 75.11 C ATOM 595 O LYS A 38 23.543 -2.752 4.950 1.00 42.10 O ATOM 596 CB LYS A 38 25.047 0.142 4.430 1.00 14.42 C ATOM 597 CG LYS A 38 26.177 1.067 4.848 1.00 60.02 C ATOM 598 CD LYS A 38 26.111 1.395 6.330 1.00 75.10 C ATOM 599 CE LYS A 38 25.519 2.775 6.569 1.00 12.54 C ATOM 600 NZ LYS A 38 24.965 2.911 7.945 1.00 31.41 N ATOM 0 H LYS A 38 24.492 -2.334 2.870 1.00 40.10 H new ATOM 0 HA LYS A 38 26.441 -1.441 4.842 1.00 75.44 H new ATOM 0 HB2 LYS A 38 24.729 0.404 3.421 1.00 14.42 H new ATOM 0 HB3 LYS A 38 24.193 0.306 5.087 1.00 14.42 H new ATOM 0 HG2 LYS A 38 27.135 0.599 4.621 1.00 60.02 H new ATOM 0 HG3 LYS A 38 26.127 1.989 4.268 1.00 60.02 H new ATOM 0 HD2 LYS A 38 25.508 0.646 6.843 1.00 75.10 H new ATOM 0 HD3 LYS A 38 27.112 1.348 6.759 1.00 75.10 H new ATOM 0 HE2 LYS A 38 26.287 3.532 6.410 1.00 12.54 H new ATOM 0 HE3 LYS A 38 24.731 2.963 5.840 1.00 12.54 H new ATOM 0 HZ1 LYS A 38 24.571 3.866 8.068 1.00 31.41 H new ATOM 0 HZ2 LYS A 38 24.214 2.206 8.088 1.00 31.41 H new ATOM 0 HZ3 LYS A 38 25.722 2.757 8.641 1.00 31.41 H new ATOM 614 N ASP A 39 24.740 -1.993 6.697 1.00 11.42 N ATOM 615 CA ASP A 39 23.914 -2.663 7.695 1.00 50.21 C ATOM 616 C ASP A 39 22.854 -1.715 8.248 1.00 71.40 C ATOM 617 O ASP A 39 23.166 -0.612 8.694 1.00 75.10 O ATOM 618 CB ASP A 39 24.784 -3.195 8.834 1.00 24.23 C ATOM 619 CG ASP A 39 25.471 -4.499 8.478 1.00 72.12 C ATOM 620 OD1 ASP A 39 24.829 -5.348 7.824 1.00 23.41 O ATOM 621 OD2 ASP A 39 26.650 -4.670 8.852 1.00 53.02 O ATOM 0 H ASP A 39 25.514 -1.453 7.084 1.00 11.42 H new ATOM 0 HA ASP A 39 23.410 -3.500 7.211 1.00 50.21 H new ATOM 0 HB2 ASP A 39 25.537 -2.450 9.091 1.00 24.23 H new ATOM 0 HB3 ASP A 39 24.167 -3.343 9.720 1.00 24.23 H new ATOM 626 N ASN A 40 21.600 -2.154 8.214 1.00 32.32 N ATOM 627 CA ASN A 40 20.493 -1.345 8.711 1.00 41.44 C ATOM 628 C ASN A 40 20.324 -0.081 7.872 1.00 24.21 C ATOM 629 O ASN A 40 19.894 0.956 8.374 1.00 5.31 O ATOM 630 CB ASN A 40 20.725 -0.970 10.176 1.00 73.40 C ATOM 631 CG ASN A 40 21.375 -2.092 10.963 1.00 2.41 C ATOM 632 OD1 ASN A 40 20.719 -3.064 11.337 1.00 3.25 O ATOM 633 ND2 ASN A 40 22.672 -1.960 11.218 1.00 32.32 N ATOM 0 H ASN A 40 21.325 -3.065 7.848 1.00 32.32 H new ATOM 0 HA ASN A 40 19.581 -1.936 8.634 1.00 41.44 H new ATOM 0 HB2 ASN A 40 21.355 -0.082 10.226 1.00 73.40 H new ATOM 0 HB3 ASN A 40 19.772 -0.711 10.637 1.00 73.40 H new ATOM 0 HD21 ASN A 40 23.164 -2.682 11.744 1.00 32.32 H new ATOM 0 HD22 ASN A 40 23.175 -1.137 10.888 1.00 32.32 H new ATOM 640 N ASN A 41 20.666 -0.178 6.591 1.00 12.22 N ATOM 641 CA ASN A 41 20.552 0.957 5.682 1.00 3.13 C ATOM 642 C ASN A 41 19.089 1.273 5.386 1.00 22.34 C ATOM 643 O ASN A 41 18.185 0.734 6.025 1.00 74.25 O ATOM 644 CB ASN A 41 21.297 0.669 4.377 1.00 23.44 C ATOM 645 CG ASN A 41 20.702 -0.502 3.618 1.00 3.34 C ATOM 646 OD1 ASN A 41 19.669 -0.370 2.962 1.00 1.52 O ATOM 647 ND2 ASN A 41 21.354 -1.656 3.705 1.00 13.32 N ATOM 0 H ASN A 41 21.024 -1.030 6.159 1.00 12.22 H new ATOM 0 HA ASN A 41 21.002 1.824 6.166 1.00 3.13 H new ATOM 0 HB2 ASN A 41 21.275 1.557 3.745 1.00 23.44 H new ATOM 0 HB3 ASN A 41 22.344 0.461 4.598 1.00 23.44 H new ATOM 0 HD21 ASN A 41 21.002 -2.479 3.216 1.00 13.32 H new ATOM 0 HD22 ASN A 41 22.207 -1.719 4.261 1.00 13.32 H new ATOM 654 N LYS A 42 18.864 2.149 4.414 1.00 51.52 N ATOM 655 CA LYS A 42 17.511 2.537 4.030 1.00 25.24 C ATOM 656 C LYS A 42 17.146 1.959 2.667 1.00 71.20 C ATOM 657 O LYS A 42 17.664 2.393 1.638 1.00 42.21 O ATOM 658 CB LYS A 42 17.385 4.062 4.000 1.00 32.44 C ATOM 659 CG LYS A 42 15.953 4.555 4.114 1.00 11.34 C ATOM 660 CD LYS A 42 15.490 5.225 2.831 1.00 20.14 C ATOM 661 CE LYS A 42 14.516 6.359 3.114 1.00 24.32 C ATOM 662 NZ LYS A 42 13.627 6.630 1.951 1.00 64.43 N ATOM 0 H LYS A 42 19.601 2.605 3.877 1.00 51.52 H new ATOM 0 HA LYS A 42 16.820 2.136 4.772 1.00 25.24 H new ATOM 0 HB2 LYS A 42 17.972 4.483 4.816 1.00 32.44 H new ATOM 0 HB3 LYS A 42 17.817 4.436 3.072 1.00 32.44 H new ATOM 0 HG2 LYS A 42 15.296 3.717 4.345 1.00 11.34 H new ATOM 0 HG3 LYS A 42 15.875 5.259 4.942 1.00 11.34 H new ATOM 0 HD2 LYS A 42 16.353 5.612 2.289 1.00 20.14 H new ATOM 0 HD3 LYS A 42 15.013 4.487 2.186 1.00 20.14 H new ATOM 0 HE2 LYS A 42 13.909 6.108 3.984 1.00 24.32 H new ATOM 0 HE3 LYS A 42 15.073 7.262 3.364 1.00 24.32 H new ATOM 0 HZ1 LYS A 42 12.978 7.409 2.184 1.00 64.43 H new ATOM 0 HZ2 LYS A 42 14.204 6.894 1.127 1.00 64.43 H new ATOM 0 HZ3 LYS A 42 13.077 5.776 1.728 1.00 64.43 H new ATOM 676 N CYS A 43 16.249 0.978 2.666 1.00 3.13 N ATOM 677 CA CYS A 43 15.813 0.341 1.430 1.00 60.03 C ATOM 678 C CYS A 43 14.330 -0.014 1.494 1.00 23.04 C ATOM 679 O CYS A 43 13.827 -0.443 2.534 1.00 42.24 O ATOM 680 CB CYS A 43 16.639 -0.919 1.161 1.00 0.44 C ATOM 681 SG CYS A 43 16.249 -2.313 2.267 1.00 72.14 S ATOM 0 H CYS A 43 15.810 0.607 3.509 1.00 3.13 H new ATOM 0 HA CYS A 43 15.965 1.048 0.614 1.00 60.03 H new ATOM 0 HB2 CYS A 43 16.479 -1.232 0.129 1.00 0.44 H new ATOM 0 HB3 CYS A 43 17.697 -0.675 1.260 1.00 0.44 H new ATOM 686 N THR A 44 13.635 0.167 0.376 1.00 14.31 N ATOM 687 CA THR A 44 12.210 -0.132 0.305 1.00 21.40 C ATOM 688 C THR A 44 11.918 -1.160 -0.782 1.00 61.31 C ATOM 689 O THR A 44 12.240 -0.950 -1.952 1.00 31.23 O ATOM 690 CB THR A 44 11.382 1.137 0.031 1.00 11.12 C ATOM 691 OG1 THR A 44 12.121 2.033 -0.807 1.00 32.14 O ATOM 692 CG2 THR A 44 11.017 1.836 1.332 1.00 11.21 C ATOM 0 H THR A 44 14.036 0.519 -0.493 1.00 14.31 H new ATOM 0 HA THR A 44 11.924 -0.540 1.274 1.00 21.40 H new ATOM 0 HB THR A 44 10.463 0.842 -0.475 1.00 11.12 H new ATOM 0 HG1 THR A 44 11.587 2.837 -0.978 1.00 32.14 H new ATOM 0 HG21 THR A 44 10.432 2.730 1.113 1.00 11.21 H new ATOM 0 HG22 THR A 44 10.430 1.162 1.955 1.00 11.21 H new ATOM 0 HG23 THR A 44 11.927 2.118 1.861 1.00 11.21 H new ATOM 700 N VAL A 45 11.306 -2.273 -0.389 1.00 52.23 N ATOM 701 CA VAL A 45 10.968 -3.333 -1.331 1.00 64.33 C ATOM 702 C VAL A 45 9.648 -3.043 -2.036 1.00 1.11 C ATOM 703 O VAL A 45 8.674 -2.630 -1.406 1.00 42.10 O ATOM 704 CB VAL A 45 10.872 -4.700 -0.627 1.00 44.22 C ATOM 705 CG1 VAL A 45 10.468 -5.783 -1.616 1.00 13.33 C ATOM 706 CG2 VAL A 45 12.192 -5.046 0.045 1.00 23.31 C ATOM 0 H VAL A 45 11.034 -2.464 0.575 1.00 52.23 H new ATOM 0 HA VAL A 45 11.770 -3.368 -2.069 1.00 64.33 H new ATOM 0 HB VAL A 45 10.103 -4.640 0.143 1.00 44.22 H new ATOM 0 HG11 VAL A 45 10.405 -6.741 -1.101 1.00 13.33 H new ATOM 0 HG12 VAL A 45 9.497 -5.538 -2.047 1.00 13.33 H new ATOM 0 HG13 VAL A 45 11.212 -5.846 -2.410 1.00 13.33 H new ATOM 0 HG21 VAL A 45 12.107 -6.015 0.538 1.00 23.31 H new ATOM 0 HG22 VAL A 45 12.982 -5.089 -0.705 1.00 23.31 H new ATOM 0 HG23 VAL A 45 12.435 -4.283 0.785 1.00 23.31 H new ATOM 716 N ASP A 46 9.622 -3.262 -3.346 1.00 23.12 N ATOM 717 CA ASP A 46 8.420 -3.026 -4.137 1.00 45.42 C ATOM 718 C ASP A 46 7.964 -4.307 -4.828 1.00 41.33 C ATOM 719 O ASP A 46 8.504 -4.692 -5.866 1.00 54.22 O ATOM 720 CB ASP A 46 8.675 -1.933 -5.177 1.00 65.41 C ATOM 721 CG ASP A 46 7.880 -0.673 -4.900 1.00 74.21 C ATOM 722 OD1 ASP A 46 8.503 0.377 -4.638 1.00 11.02 O ATOM 723 OD2 ASP A 46 6.633 -0.737 -4.947 1.00 5.24 O ATOM 0 H ASP A 46 10.420 -3.603 -3.883 1.00 23.12 H new ATOM 0 HA ASP A 46 7.629 -2.698 -3.463 1.00 45.42 H new ATOM 0 HB2 ASP A 46 9.738 -1.692 -5.193 1.00 65.41 H new ATOM 0 HB3 ASP A 46 8.419 -2.311 -6.167 1.00 65.41 H new ATOM 728 N THR A 47 6.967 -4.965 -4.245 1.00 53.23 N ATOM 729 CA THR A 47 6.439 -6.203 -4.803 1.00 61.51 C ATOM 730 C THR A 47 5.730 -5.951 -6.129 1.00 31.44 C ATOM 731 O THR A 47 5.438 -6.886 -6.875 1.00 15.00 O ATOM 732 CB THR A 47 5.458 -6.885 -3.830 1.00 40.43 C ATOM 733 OG1 THR A 47 4.935 -8.080 -4.419 1.00 61.43 O ATOM 734 CG2 THR A 47 4.314 -5.948 -3.471 1.00 63.02 C ATOM 0 H THR A 47 6.509 -4.661 -3.386 1.00 53.23 H new ATOM 0 HA THR A 47 7.291 -6.862 -4.970 1.00 61.51 H new ATOM 0 HB THR A 47 6.000 -7.137 -2.919 1.00 40.43 H new ATOM 0 HG1 THR A 47 4.976 -8.008 -5.396 1.00 61.43 H new ATOM 0 HG21 THR A 47 3.634 -6.451 -2.783 1.00 63.02 H new ATOM 0 HG22 THR A 47 4.713 -5.052 -2.996 1.00 63.02 H new ATOM 0 HG23 THR A 47 3.774 -5.669 -4.376 1.00 63.02 H new ATOM 742 N TYR A 48 5.456 -4.684 -6.416 1.00 44.30 N ATOM 743 CA TYR A 48 4.779 -4.309 -7.652 1.00 25.11 C ATOM 744 C TYR A 48 5.478 -4.921 -8.863 1.00 13.24 C ATOM 745 O TYR A 48 4.835 -5.502 -9.735 1.00 71.35 O ATOM 746 CB TYR A 48 4.733 -2.787 -7.791 1.00 41.53 C ATOM 747 CG TYR A 48 3.892 -2.310 -8.954 1.00 35.23 C ATOM 748 CD1 TYR A 48 4.439 -2.175 -10.224 1.00 21.34 C ATOM 749 CD2 TYR A 48 2.550 -1.994 -8.782 1.00 75.31 C ATOM 750 CE1 TYR A 48 3.674 -1.740 -11.289 1.00 4.24 C ATOM 751 CE2 TYR A 48 1.777 -1.560 -9.841 1.00 50.45 C ATOM 752 CZ TYR A 48 2.344 -1.434 -11.093 1.00 12.24 C ATOM 753 OH TYR A 48 1.578 -1.000 -12.150 1.00 51.32 O ATOM 0 H TYR A 48 5.692 -3.899 -5.810 1.00 44.30 H new ATOM 0 HA TYR A 48 3.760 -4.694 -7.610 1.00 25.11 H new ATOM 0 HB2 TYR A 48 4.340 -2.358 -6.869 1.00 41.53 H new ATOM 0 HB3 TYR A 48 5.749 -2.411 -7.910 1.00 41.53 H new ATOM 0 HD1 TYR A 48 5.480 -2.414 -10.381 1.00 21.34 H new ATOM 0 HD2 TYR A 48 2.104 -2.089 -7.803 1.00 75.31 H new ATOM 0 HE1 TYR A 48 4.115 -1.640 -12.270 1.00 4.24 H new ATOM 0 HE2 TYR A 48 0.735 -1.321 -9.690 1.00 50.45 H new ATOM 0 HH TYR A 48 0.663 -0.829 -11.843 1.00 51.32 H new ATOM 763 N ASN A 49 6.799 -4.785 -8.906 1.00 41.15 N ATOM 764 CA ASN A 49 7.587 -5.324 -10.009 1.00 53.23 C ATOM 765 C ASN A 49 8.917 -5.878 -9.508 1.00 73.30 C ATOM 766 O ASN A 49 9.890 -5.956 -10.257 1.00 32.24 O ATOM 767 CB ASN A 49 7.837 -4.242 -11.062 1.00 14.45 C ATOM 768 CG ASN A 49 8.969 -3.310 -10.675 1.00 65.33 C ATOM 769 OD1 ASN A 49 10.029 -3.310 -11.303 1.00 13.32 O ATOM 770 ND2 ASN A 49 8.751 -2.512 -9.637 1.00 53.52 N ATOM 0 H ASN A 49 7.346 -4.307 -8.191 1.00 41.15 H new ATOM 0 HA ASN A 49 7.022 -6.139 -10.462 1.00 53.23 H new ATOM 0 HB2 ASN A 49 8.069 -4.714 -12.017 1.00 14.45 H new ATOM 0 HB3 ASN A 49 6.926 -3.662 -11.207 1.00 14.45 H new ATOM 0 HD21 ASN A 49 9.477 -1.865 -9.330 1.00 53.52 H new ATOM 0 HD22 ASN A 49 7.857 -2.546 -9.146 1.00 53.52 H new ATOM 777 N ASN A 50 8.950 -6.263 -8.236 1.00 54.22 N ATOM 778 CA ASN A 50 10.160 -6.810 -7.634 1.00 71.33 C ATOM 779 C ASN A 50 11.351 -5.887 -7.872 1.00 62.53 C ATOM 780 O ASN A 50 12.086 -6.045 -8.846 1.00 65.14 O ATOM 781 CB ASN A 50 10.455 -8.199 -8.204 1.00 75.33 C ATOM 782 CG ASN A 50 9.506 -9.256 -7.672 1.00 53.21 C ATOM 783 OD1 ASN A 50 9.230 -9.312 -6.473 1.00 43.45 O ATOM 784 ND2 ASN A 50 9.001 -10.101 -8.564 1.00 10.33 N ATOM 0 H ASN A 50 8.153 -6.206 -7.603 1.00 54.22 H new ATOM 0 HA ASN A 50 9.996 -6.893 -6.560 1.00 71.33 H new ATOM 0 HB2 ASN A 50 10.384 -8.165 -9.291 1.00 75.33 H new ATOM 0 HB3 ASN A 50 11.480 -8.479 -7.960 1.00 75.33 H new ATOM 0 HD21 ASN A 50 8.357 -10.833 -8.265 1.00 10.33 H new ATOM 0 HD22 ASN A 50 9.257 -10.018 -9.548 1.00 10.33 H new ATOM 791 N ALA A 51 11.535 -4.925 -6.975 1.00 4.40 N ATOM 792 CA ALA A 51 12.638 -3.978 -7.086 1.00 25.25 C ATOM 793 C ALA A 51 12.803 -3.174 -5.800 1.00 60.32 C ATOM 794 O ALA A 51 12.010 -2.278 -5.511 1.00 3.01 O ATOM 795 CB ALA A 51 12.418 -3.047 -8.268 1.00 42.23 C ATOM 0 H ALA A 51 10.935 -4.780 -6.163 1.00 4.40 H new ATOM 0 HA ALA A 51 13.555 -4.544 -7.250 1.00 25.25 H new ATOM 0 HB1 ALA A 51 13.249 -2.346 -8.338 1.00 42.23 H new ATOM 0 HB2 ALA A 51 12.358 -3.632 -9.186 1.00 42.23 H new ATOM 0 HB3 ALA A 51 11.488 -2.495 -8.128 1.00 42.23 H new ATOM 801 N VAL A 52 13.837 -3.501 -5.031 1.00 60.24 N ATOM 802 CA VAL A 52 14.106 -2.809 -3.777 1.00 33.14 C ATOM 803 C VAL A 52 14.963 -1.569 -4.005 1.00 61.44 C ATOM 804 O VAL A 52 15.808 -1.543 -4.900 1.00 60.05 O ATOM 805 CB VAL A 52 14.815 -3.731 -2.768 1.00 22.54 C ATOM 806 CG1 VAL A 52 16.271 -3.931 -3.159 1.00 24.41 C ATOM 807 CG2 VAL A 52 14.706 -3.165 -1.360 1.00 53.11 C ATOM 0 H VAL A 52 14.502 -4.241 -5.255 1.00 60.24 H new ATOM 0 HA VAL A 52 13.141 -2.509 -3.368 1.00 33.14 H new ATOM 0 HB VAL A 52 14.322 -4.703 -2.783 1.00 22.54 H new ATOM 0 HG11 VAL A 52 16.756 -4.585 -2.434 1.00 24.41 H new ATOM 0 HG12 VAL A 52 16.323 -4.384 -4.149 1.00 24.41 H new ATOM 0 HG13 VAL A 52 16.779 -2.967 -3.174 1.00 24.41 H new ATOM 0 HG21 VAL A 52 15.213 -3.830 -0.660 1.00 53.11 H new ATOM 0 HG22 VAL A 52 15.172 -2.180 -1.327 1.00 53.11 H new ATOM 0 HG23 VAL A 52 13.655 -3.079 -1.083 1.00 53.11 H new ATOM 817 N ASP A 53 14.740 -0.544 -3.190 1.00 63.34 N ATOM 818 CA ASP A 53 15.494 0.699 -3.302 1.00 52.24 C ATOM 819 C ASP A 53 16.715 0.679 -2.389 1.00 65.50 C ATOM 820 O ASP A 53 16.845 1.508 -1.489 1.00 11.54 O ATOM 821 CB ASP A 53 14.603 1.893 -2.956 1.00 51.22 C ATOM 822 CG ASP A 53 13.810 2.389 -4.150 1.00 2.45 C ATOM 823 OD1 ASP A 53 13.756 1.668 -5.168 1.00 33.24 O ATOM 824 OD2 ASP A 53 13.244 3.499 -4.065 1.00 73.11 O ATOM 0 H ASP A 53 14.043 -0.549 -2.445 1.00 63.34 H new ATOM 0 HA ASP A 53 15.836 0.796 -4.333 1.00 52.24 H new ATOM 0 HB2 ASP A 53 13.915 1.611 -2.159 1.00 51.22 H new ATOM 0 HB3 ASP A 53 15.221 2.704 -2.571 1.00 51.22 H new ATOM 829 N CYS A 54 17.609 -0.276 -2.626 1.00 41.12 N ATOM 830 CA CYS A 54 18.820 -0.407 -1.825 1.00 11.32 C ATOM 831 C CYS A 54 19.656 0.868 -1.891 1.00 23.13 C ATOM 832 O CYS A 54 19.805 1.471 -2.954 1.00 22.31 O ATOM 833 CB CYS A 54 19.649 -1.599 -2.306 1.00 72.21 C ATOM 834 SG CYS A 54 20.003 -1.586 -4.093 1.00 52.21 S ATOM 0 H CYS A 54 17.517 -0.971 -3.367 1.00 41.12 H new ATOM 0 HA CYS A 54 18.524 -0.574 -0.789 1.00 11.32 H new ATOM 0 HB2 CYS A 54 20.592 -1.616 -1.760 1.00 72.21 H new ATOM 0 HB3 CYS A 54 19.120 -2.519 -2.058 1.00 72.21 H new ATOM 839 N ASP A 55 20.200 1.272 -0.748 1.00 33.11 N ATOM 840 CA ASP A 55 21.022 2.474 -0.675 1.00 64.22 C ATOM 841 C ASP A 55 22.150 2.424 -1.702 1.00 32.54 C ATOM 842 O ASP A 55 22.954 3.351 -1.800 1.00 65.02 O ATOM 843 CB ASP A 55 21.603 2.636 0.731 1.00 54.24 C ATOM 844 CG ASP A 55 21.055 3.856 1.446 1.00 61.33 C ATOM 845 OD1 ASP A 55 21.838 4.538 2.139 1.00 11.45 O ATOM 846 OD2 ASP A 55 19.844 4.128 1.311 1.00 41.12 O ATOM 0 H ASP A 55 20.086 0.784 0.141 1.00 33.11 H new ATOM 0 HA ASP A 55 20.388 3.332 -0.899 1.00 64.22 H new ATOM 0 HB2 ASP A 55 21.381 1.744 1.318 1.00 54.24 H new ATOM 0 HB3 ASP A 55 22.688 2.713 0.666 1.00 54.24 H new