USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 424 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 7 CYS SG : rot 141:sc= 0.143 USER MOD Set 1.2: A 12 ASN : amide:sc= -1.82 K(o=-1.5,f=-2.8!) USER MOD Set 1.3: A 28 CYS SG : rot 180:sc= -0.461 USER MOD Set 1.4: A 54 CYS SG : rot -139:sc= 0.674 USER MOD Set 2.1: A 14 CYS SG : rot -93:sc= 1.14 USER MOD Set 2.2: A 43 CYS SG : rot 119:sc= 0.293 USER MOD Set 3.1: A 18 ASN : amide:sc= -1.25 K(o=-1.5,f=0.07) USER MOD Set 3.2: A 24 THR OG1 : rot -130:sc= -0.2 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 15 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.332) USER MOD Set 5.1: A 1 ALA N :NH3+ 160:sc= 1.21 (180deg=0) USER MOD Set 5.2: A 47 THR OG1 : rot 110:sc= 1.03 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 8 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0798 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.295) USER MOD Single : A 33 ASN : amide:sc= 0.138 X(o=0.14,f=0) 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 36 CYS SG : rot 159:sc= 0.85 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0317) USER MOD Single : A 40 ASN : amide:sc= -1.04 K(o=-1,f=-7!) USER MOD Single : A 41 ASN : amide:sc= -1.03 K(o=-1,f=-6.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -2.31 K(o=-2.3,f=-8.8!) USER MOD Single : A 50 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.135 2.586 1.073 1.00 0.00 N ATOM 2 CA ALA A 1 -15.284 2.969 -0.047 1.00 0.00 C ATOM 3 C ALA A 1 -14.080 2.040 -0.165 1.00 0.00 C ATOM 4 O ALA A 1 -14.008 1.014 0.511 1.00 0.00 O ATOM 5 CB ALA A 1 -14.826 4.412 0.107 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.734 3.391 1.345 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.737 1.785 0.794 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.542 2.307 1.880 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.869 2.881 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.191 4.684 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.695 5.069 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.263 4.518 1.034 1.00 0.00 H new ATOM 11 N LYS A 2 -13.138 2.405 -1.027 1.00 0.00 N ATOM 12 CA LYS A 2 -11.937 1.605 -1.234 1.00 0.00 C ATOM 13 C LYS A 2 -10.853 2.422 -1.930 1.00 0.00 C ATOM 14 O LYS A 2 -11.109 3.521 -2.420 1.00 0.00 O ATOM 15 CB LYS A 2 -12.265 0.361 -2.061 1.00 0.00 C ATOM 16 CG LYS A 2 -12.284 -0.923 -1.249 1.00 0.00 C ATOM 17 CD LYS A 2 -12.652 -2.120 -2.108 1.00 0.00 C ATOM 18 CE LYS A 2 -14.141 -2.422 -2.038 1.00 0.00 C ATOM 19 NZ LYS A 2 -14.422 -3.874 -2.203 1.00 0.00 N ATOM 0 H LYS A 2 -13.183 3.251 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.563 1.296 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.238 0.496 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.532 0.264 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.305 -1.084 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.999 -0.827 -0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.367 -1.928 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.087 -2.992 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.535 -2.083 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.662 -1.861 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.448 -4.037 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.069 -4.193 -3.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.946 -4.408 -1.448 1.00 0.00 H new ATOM 33 N TYR A 3 -9.642 1.875 -1.971 1.00 0.00 N ATOM 34 CA TYR A 3 -8.520 2.554 -2.607 1.00 0.00 C ATOM 35 C TYR A 3 -7.584 1.549 -3.275 1.00 0.00 C ATOM 36 O TYR A 3 -7.593 0.362 -2.949 1.00 0.00 O ATOM 37 CB TYR A 3 -7.747 3.380 -1.578 1.00 0.00 C ATOM 38 CG TYR A 3 -8.637 4.164 -0.639 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.159 5.396 -1.012 1.00 0.00 C ATOM 40 CD2 TYR A 3 -8.955 3.671 0.621 1.00 0.00 C ATOM 41 CE1 TYR A 3 -9.972 6.115 -0.158 1.00 0.00 C ATOM 42 CE2 TYR A 3 -9.769 4.384 1.481 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.274 5.605 1.087 1.00 0.00 C ATOM 44 OH TYR A 3 -11.084 6.318 1.942 1.00 0.00 O ATOM 0 H TYR A 3 -9.413 0.965 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.917 3.220 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.112 2.714 -0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.087 4.071 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -8.925 5.798 -1.987 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.560 2.716 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.369 7.072 -0.464 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.008 3.987 2.456 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.199 5.818 2.777 1.00 0.00 H new ATOM 54 N THR A 4 -6.776 2.036 -4.212 1.00 0.00 N ATOM 55 CA THR A 4 -5.835 1.184 -4.926 1.00 0.00 C ATOM 56 C THR A 4 -4.578 1.956 -5.313 1.00 0.00 C ATOM 57 O THR A 4 -4.613 3.174 -5.477 1.00 0.00 O ATOM 58 CB THR A 4 -6.469 0.590 -6.198 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.825 0.209 -5.938 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.682 -0.620 -6.681 1.00 0.00 C ATOM 0 H THR A 4 -6.755 3.016 -4.493 1.00 0.00 H new ATOM 0 HA THR A 4 -5.567 0.373 -4.249 1.00 0.00 H new ATOM 0 HB THR A 4 -6.449 1.352 -6.977 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.221 -0.166 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.149 -1.022 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.658 -0.322 -6.906 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.675 -1.384 -5.903 1.00 0.00 H new ATOM 68 N GLY A 5 -3.468 1.237 -5.457 1.00 0.00 N ATOM 69 CA GLY A 5 -2.216 1.872 -5.823 1.00 0.00 C ATOM 70 C GLY A 5 -1.071 0.883 -5.917 1.00 0.00 C ATOM 71 O GLY A 5 -1.262 -0.264 -6.321 1.00 0.00 O ATOM 0 H GLY A 5 -3.414 0.227 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.335 2.378 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.971 2.638 -5.087 1.00 0.00 H new ATOM 75 N LYS A 6 0.125 1.328 -5.544 1.00 0.00 N ATOM 76 CA LYS A 6 1.306 0.476 -5.588 1.00 0.00 C ATOM 77 C LYS A 6 2.250 0.793 -4.432 1.00 0.00 C ATOM 78 O LYS A 6 2.010 1.723 -3.661 1.00 0.00 O ATOM 79 CB LYS A 6 2.038 0.651 -6.920 1.00 0.00 C ATOM 80 CG LYS A 6 1.154 0.423 -8.135 1.00 0.00 C ATOM 81 CD LYS A 6 0.443 1.698 -8.554 1.00 0.00 C ATOM 82 CE LYS A 6 0.723 2.041 -10.009 1.00 0.00 C ATOM 83 NZ LYS A 6 0.508 3.487 -10.291 1.00 0.00 N ATOM 0 H LYS A 6 0.301 2.275 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 6 0.979 -0.559 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.453 1.658 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.878 -0.043 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.760 0.054 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.417 -0.349 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.631 1.582 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.765 2.522 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.751 1.773 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.076 1.446 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.709 3.679 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.479 3.738 -10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.143 4.055 -9.695 1.00 0.00 H new ATOM 97 N CYS A 7 3.323 0.018 -4.319 1.00 0.00 N ATOM 98 CA CYS A 7 4.303 0.217 -3.258 1.00 0.00 C ATOM 99 C CYS A 7 5.589 0.823 -3.813 1.00 0.00 C ATOM 100 O CYS A 7 5.655 1.205 -4.981 1.00 0.00 O ATOM 101 CB CYS A 7 4.608 -1.109 -2.561 1.00 0.00 C ATOM 102 SG CYS A 7 4.193 -1.131 -0.802 1.00 0.00 S ATOM 0 H CYS A 7 3.536 -0.755 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 7 3.880 0.911 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.059 -1.906 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.669 -1.332 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 7 3.692 -2.289 -0.489 1.00 0.00 H new ATOM 108 N THR A 8 6.610 0.907 -2.965 1.00 0.00 N ATOM 109 CA THR A 8 7.893 1.469 -3.369 1.00 0.00 C ATOM 110 C THR A 8 9.049 0.605 -2.877 1.00 0.00 C ATOM 111 O THR A 8 9.102 0.228 -1.706 1.00 0.00 O ATOM 112 CB THR A 8 8.072 2.902 -2.834 1.00 0.00 C ATOM 113 OG1 THR A 8 6.981 3.243 -1.973 1.00 0.00 O ATOM 114 CG2 THR A 8 8.155 3.901 -3.978 1.00 0.00 C ATOM 0 H THR A 8 6.573 0.593 -1.995 1.00 0.00 H new ATOM 0 HA THR A 8 7.900 1.494 -4.459 1.00 0.00 H new ATOM 0 HB THR A 8 9.004 2.942 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.006 2.677 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.281 4.906 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.005 3.656 -4.614 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.238 3.858 -4.566 1.00 0.00 H new ATOM 122 N LYS A 9 9.975 0.297 -3.778 1.00 0.00 N ATOM 123 CA LYS A 9 11.134 -0.521 -3.436 1.00 0.00 C ATOM 124 C LYS A 9 11.910 0.094 -2.276 1.00 0.00 C ATOM 125 O LYS A 9 12.577 -0.613 -1.520 1.00 0.00 O ATOM 126 CB LYS A 9 12.051 -0.676 -4.651 1.00 0.00 C ATOM 127 CG LYS A 9 12.343 0.633 -5.365 1.00 0.00 C ATOM 128 CD LYS A 9 13.797 0.721 -5.794 1.00 0.00 C ATOM 129 CE LYS A 9 14.039 -0.026 -7.097 1.00 0.00 C ATOM 130 NZ LYS A 9 14.341 0.903 -8.221 1.00 0.00 N ATOM 0 H LYS A 9 9.946 0.601 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 9 10.776 -1.504 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.992 -1.123 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.592 -1.370 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.699 0.723 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.106 1.469 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.079 1.767 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.434 0.307 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.868 -0.722 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.159 -0.621 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.500 0.355 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.539 1.551 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.195 1.453 -7.997 1.00 0.00 H new ATOM 144 N SER A 10 11.817 1.413 -2.141 1.00 0.00 N ATOM 145 CA SER A 10 12.513 2.123 -1.073 1.00 0.00 C ATOM 146 C SER A 10 11.676 2.140 0.202 1.00 0.00 C ATOM 147 O SER A 10 12.196 2.361 1.297 1.00 0.00 O ATOM 148 CB SER A 10 12.830 3.555 -1.507 1.00 0.00 C ATOM 149 OG SER A 10 11.899 4.014 -2.471 1.00 0.00 O ATOM 0 H SER A 10 11.267 2.012 -2.757 1.00 0.00 H new ATOM 0 HA SER A 10 13.446 1.598 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.813 4.214 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.838 3.598 -1.921 1.00 0.00 H new ATOM 0 HG SER A 10 12.123 4.932 -2.731 1.00 0.00 H new ATOM 155 N LYS A 11 10.377 1.905 0.054 1.00 0.00 N ATOM 156 CA LYS A 11 9.467 1.891 1.193 1.00 0.00 C ATOM 157 C LYS A 11 8.223 1.063 0.886 1.00 0.00 C ATOM 158 O LYS A 11 7.472 1.374 -0.037 1.00 0.00 O ATOM 159 CB LYS A 11 9.061 3.320 1.565 1.00 0.00 C ATOM 160 CG LYS A 11 8.938 3.546 3.062 1.00 0.00 C ATOM 161 CD LYS A 11 9.269 4.980 3.439 1.00 0.00 C ATOM 162 CE LYS A 11 10.664 5.093 4.033 1.00 0.00 C ATOM 163 NZ LYS A 11 10.838 6.354 4.805 1.00 0.00 N ATOM 0 H LYS A 11 9.930 1.721 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 11 9.987 1.435 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.797 4.015 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.108 3.553 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.924 3.309 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.607 2.866 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.196 5.615 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.536 5.347 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.851 4.240 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.404 5.052 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.802 6.393 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.684 7.169 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.149 6.382 5.584 1.00 0.00 H new ATOM 177 N ASN A 12 8.012 0.008 1.666 1.00 0.00 N ATOM 178 CA ASN A 12 6.859 -0.864 1.477 1.00 0.00 C ATOM 179 C ASN A 12 5.604 -0.246 2.087 1.00 0.00 C ATOM 180 O ASN A 12 5.006 -0.810 3.003 1.00 0.00 O ATOM 181 CB ASN A 12 7.122 -2.236 2.102 1.00 0.00 C ATOM 182 CG ASN A 12 5.967 -3.197 1.897 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.627 -3.543 0.765 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.357 -3.630 2.993 1.00 0.00 N ATOM 0 H ASN A 12 8.625 -0.264 2.435 1.00 0.00 H new ATOM 0 HA ASN A 12 6.699 -0.986 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.027 -2.662 1.668 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.306 -2.116 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.572 -4.277 2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.673 -3.316 3.911 1.00 0.00 H new ATOM 191 N GLU A 13 5.211 0.914 1.571 1.00 0.00 N ATOM 192 CA GLU A 13 4.027 1.608 2.066 1.00 0.00 C ATOM 193 C GLU A 13 3.022 1.837 0.941 1.00 0.00 C ATOM 194 O GLU A 13 3.400 2.021 -0.216 1.00 0.00 O ATOM 195 CB GLU A 13 4.419 2.946 2.695 1.00 0.00 C ATOM 196 CG GLU A 13 4.994 3.941 1.701 1.00 0.00 C ATOM 197 CD GLU A 13 5.608 5.152 2.376 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.443 5.293 3.606 1.00 0.00 O ATOM 199 OE2 GLU A 13 6.252 5.958 1.674 1.00 0.00 O ATOM 0 H GLU A 13 5.694 1.393 0.811 1.00 0.00 H new ATOM 0 HA GLU A 13 3.560 0.981 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.542 3.385 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.152 2.767 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.751 3.445 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.206 4.268 1.023 1.00 0.00 H new ATOM 206 N CYS A 14 1.740 1.823 1.291 1.00 0.00 N ATOM 207 CA CYS A 14 0.678 2.027 0.311 1.00 0.00 C ATOM 208 C CYS A 14 0.516 3.509 -0.013 1.00 0.00 C ATOM 209 O CYS A 14 0.003 4.281 0.797 1.00 0.00 O ATOM 210 CB CYS A 14 -0.642 1.460 0.834 1.00 0.00 C ATOM 211 SG CYS A 14 -2.064 1.801 -0.229 1.00 0.00 S ATOM 0 H CYS A 14 1.411 1.673 2.245 1.00 0.00 H new ATOM 0 HA CYS A 14 0.954 1.501 -0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.540 0.381 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.835 1.872 1.824 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.644 2.897 0.161 1.00 0.00 H new ATOM 217 N LYS A 15 0.961 3.900 -1.203 1.00 0.00 N ATOM 218 CA LYS A 15 0.866 5.289 -1.636 1.00 0.00 C ATOM 219 C LYS A 15 -0.387 5.512 -2.477 1.00 0.00 C ATOM 220 O LYS A 15 -0.321 5.560 -3.706 1.00 0.00 O ATOM 221 CB LYS A 15 2.108 5.679 -2.439 1.00 0.00 C ATOM 222 CG LYS A 15 2.437 4.710 -3.561 1.00 0.00 C ATOM 223 CD LYS A 15 2.688 5.437 -4.872 1.00 0.00 C ATOM 224 CE LYS A 15 2.264 4.598 -6.067 1.00 0.00 C ATOM 225 NZ LYS A 15 0.922 4.994 -6.575 1.00 0.00 N ATOM 0 H LYS A 15 1.391 3.274 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 15 0.802 5.918 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.960 6.673 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.961 5.743 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.318 4.127 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.615 4.005 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.141 6.380 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.747 5.682 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.000 4.704 -6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.249 3.545 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.803 4.647 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.185 4.581 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.839 6.031 -6.565 1.00 0.00 H new ATOM 239 N TYR A 16 -1.526 5.650 -1.808 1.00 0.00 N ATOM 240 CA TYR A 16 -2.795 5.868 -2.494 1.00 0.00 C ATOM 241 C TYR A 16 -3.320 7.276 -2.232 1.00 0.00 C ATOM 242 O TYR A 16 -2.620 8.120 -1.672 1.00 0.00 O ATOM 243 CB TYR A 16 -3.827 4.834 -2.043 1.00 0.00 C ATOM 244 CG TYR A 16 -4.375 5.091 -0.657 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.601 4.858 0.473 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.668 5.569 -0.477 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.098 5.091 1.740 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.172 5.806 0.786 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.384 5.565 1.892 1.00 0.00 C ATOM 250 OH TYR A 16 -5.882 5.800 3.154 1.00 0.00 O ATOM 0 H TYR A 16 -1.597 5.615 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.624 5.757 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.652 4.822 -2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.372 3.844 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.593 4.488 0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.289 5.758 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.483 4.903 2.607 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.178 6.178 0.908 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.801 6.133 3.086 1.00 0.00 H new ATOM 260 N LYS A 17 -4.559 7.523 -2.643 1.00 0.00 N ATOM 261 CA LYS A 17 -5.183 8.828 -2.453 1.00 0.00 C ATOM 262 C LYS A 17 -6.556 8.685 -1.804 1.00 0.00 C ATOM 263 O LYS A 17 -7.405 7.937 -2.285 1.00 0.00 O ATOM 264 CB LYS A 17 -5.314 9.554 -3.794 1.00 0.00 C ATOM 265 CG LYS A 17 -6.091 8.768 -4.837 1.00 0.00 C ATOM 266 CD LYS A 17 -5.370 8.753 -6.174 1.00 0.00 C ATOM 267 CE LYS A 17 -6.280 8.267 -7.292 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.018 8.984 -8.571 1.00 0.00 N ATOM 0 H LYS A 17 -5.152 6.837 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.546 9.414 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.807 10.513 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.318 9.769 -4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.237 7.745 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.081 9.206 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.010 9.755 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.494 8.107 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.135 7.197 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.321 8.411 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.658 8.625 -9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.181 10.002 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.032 8.826 -8.862 1.00 0.00 H new ATOM 282 N ASN A 18 -6.766 9.410 -0.710 1.00 0.00 N ATOM 283 CA ASN A 18 -8.037 9.364 0.004 1.00 0.00 C ATOM 284 C ASN A 18 -8.741 10.717 -0.051 1.00 0.00 C ATOM 285 O ASN A 18 -8.150 11.719 -0.450 1.00 0.00 O ATOM 286 CB ASN A 18 -7.813 8.952 1.461 1.00 0.00 C ATOM 287 CG ASN A 18 -7.492 10.136 2.354 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.292 10.517 3.208 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.318 10.723 2.158 1.00 0.00 N ATOM 0 H ASN A 18 -6.073 10.036 -0.299 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.672 8.624 -0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.705 8.450 1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.997 8.231 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.047 11.525 2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.686 10.372 1.438 1.00 0.00 H new ATOM 296 N ASP A 19 -10.006 10.735 0.353 1.00 0.00 N ATOM 297 CA ASP A 19 -10.792 11.964 0.351 1.00 0.00 C ATOM 298 C ASP A 19 -11.148 12.379 -1.073 1.00 0.00 C ATOM 299 O ASP A 19 -12.309 12.316 -1.476 1.00 0.00 O ATOM 300 CB ASP A 19 -10.021 13.087 1.045 1.00 0.00 C ATOM 301 CG ASP A 19 -10.932 14.186 1.556 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.880 14.556 0.832 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.699 14.675 2.680 1.00 0.00 O ATOM 0 H ASP A 19 -10.510 9.913 0.686 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.717 11.777 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.454 12.673 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.299 13.513 0.348 1.00 0.00 H new ATOM 308 N ALA A 20 -10.141 12.805 -1.829 1.00 0.00 N ATOM 309 CA ALA A 20 -10.349 13.229 -3.208 1.00 0.00 C ATOM 310 C ALA A 20 -9.022 13.559 -3.886 1.00 0.00 C ATOM 311 O ALA A 20 -8.913 14.549 -4.608 1.00 0.00 O ATOM 312 CB ALA A 20 -11.281 14.431 -3.256 1.00 0.00 C ATOM 0 H ALA A 20 -9.174 12.866 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.810 12.404 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.427 14.737 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.242 14.164 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.842 15.255 -2.693 1.00 0.00 H new ATOM 318 N GLY A 21 -8.017 12.723 -3.649 1.00 0.00 N ATOM 319 CA GLY A 21 -6.712 12.943 -4.243 1.00 0.00 C ATOM 320 C GLY A 21 -5.660 13.307 -3.214 1.00 0.00 C ATOM 321 O GLY A 21 -4.576 13.774 -3.561 1.00 0.00 O ATOM 0 H GLY A 21 -8.083 11.896 -3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.401 12.043 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.783 13.740 -4.983 1.00 0.00 H new ATOM 325 N LYS A 22 -5.981 13.095 -1.942 1.00 0.00 N ATOM 326 CA LYS A 22 -5.056 13.403 -0.857 1.00 0.00 C ATOM 327 C LYS A 22 -4.015 12.301 -0.700 1.00 0.00 C ATOM 328 O LYS A 22 -4.341 11.173 -0.329 1.00 0.00 O ATOM 329 CB LYS A 22 -5.821 13.588 0.455 1.00 0.00 C ATOM 330 CG LYS A 22 -5.570 14.929 1.122 1.00 0.00 C ATOM 331 CD LYS A 22 -6.034 14.928 2.570 1.00 0.00 C ATOM 332 CE LYS A 22 -4.899 15.276 3.519 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.012 14.543 4.810 1.00 0.00 N ATOM 0 H LYS A 22 -6.875 12.711 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.541 14.331 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.888 13.482 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.542 12.791 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.506 15.164 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.091 15.713 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.846 15.645 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.434 13.947 2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.945 15.037 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.901 16.349 3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.220 14.807 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.910 14.790 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.985 13.519 4.631 1.00 0.00 H new ATOM 347 N ASP A 23 -2.760 12.634 -0.983 1.00 0.00 N ATOM 348 CA ASP A 23 -1.670 11.672 -0.870 1.00 0.00 C ATOM 349 C ASP A 23 -1.660 11.022 0.509 1.00 0.00 C ATOM 350 O ASP A 23 -1.736 11.705 1.531 1.00 0.00 O ATOM 351 CB ASP A 23 -0.328 12.358 -1.135 1.00 0.00 C ATOM 352 CG ASP A 23 -0.091 13.540 -0.216 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.558 14.649 -0.546 1.00 0.00 O ATOM 354 OD2 ASP A 23 0.563 13.356 0.832 1.00 0.00 O ATOM 0 H ASP A 23 -2.473 13.563 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.825 10.893 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.478 11.635 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.294 12.694 -2.171 1.00 0.00 H new ATOM 359 N THR A 24 -1.565 9.696 0.532 1.00 0.00 N ATOM 360 CA THR A 24 -1.547 8.952 1.785 1.00 0.00 C ATOM 361 C THR A 24 -0.557 7.796 1.725 1.00 0.00 C ATOM 362 O THR A 24 -0.547 7.023 0.766 1.00 0.00 O ATOM 363 CB THR A 24 -2.944 8.400 2.131 1.00 0.00 C ATOM 364 OG1 THR A 24 -3.874 9.477 2.280 1.00 0.00 O ATOM 365 CG2 THR A 24 -2.900 7.580 3.411 1.00 0.00 C ATOM 0 H THR A 24 -1.499 9.115 -0.304 1.00 0.00 H new ATOM 0 HA THR A 24 -1.237 9.651 2.562 1.00 0.00 H new ATOM 0 HB THR A 24 -3.267 7.753 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.364 9.372 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.897 7.201 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.214 6.743 3.283 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.557 8.208 4.234 1.00 0.00 H new ATOM 373 N PHE A 25 0.276 7.681 2.753 1.00 0.00 N ATOM 374 CA PHE A 25 1.272 6.618 2.817 1.00 0.00 C ATOM 375 C PHE A 25 1.185 5.869 4.143 1.00 0.00 C ATOM 376 O PHE A 25 1.156 6.479 5.212 1.00 0.00 O ATOM 377 CB PHE A 25 2.678 7.195 2.636 1.00 0.00 C ATOM 378 CG PHE A 25 2.851 7.966 1.358 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.399 9.272 1.255 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.464 7.384 0.260 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.555 9.982 0.079 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.624 8.090 -0.917 1.00 0.00 C ATOM 383 CZ PHE A 25 3.169 9.391 -1.007 1.00 0.00 C ATOM 0 H PHE A 25 0.281 8.312 3.555 1.00 0.00 H new ATOM 0 HA PHE A 25 1.068 5.915 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.905 7.848 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.402 6.381 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.920 9.740 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.821 6.367 0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.197 10.998 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.104 7.625 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.293 9.945 -1.926 1.00 0.00 H new ATOM 393 N ILE A 26 1.142 4.543 4.064 1.00 0.00 N ATOM 394 CA ILE A 26 1.059 3.711 5.258 1.00 0.00 C ATOM 395 C ILE A 26 1.690 2.343 5.019 1.00 0.00 C ATOM 396 O ILE A 26 1.312 1.624 4.093 1.00 0.00 O ATOM 397 CB ILE A 26 -0.402 3.517 5.708 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.463 2.614 6.941 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.232 2.933 4.575 1.00 0.00 C ATOM 400 CD1 ILE A 26 0.339 3.136 8.112 1.00 0.00 C ATOM 0 H ILE A 26 1.163 4.023 3.187 1.00 0.00 H new ATOM 0 HA ILE A 26 1.608 4.230 6.044 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.818 4.489 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.503 2.499 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.097 1.623 6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.261 2.802 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.210 3.611 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.820 1.967 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.250 2.446 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.387 3.225 7.825 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.041 4.115 8.406 1.00 0.00 H new ATOM 412 N LYS A 27 2.655 1.988 5.861 1.00 0.00 N ATOM 413 CA LYS A 27 3.338 0.705 5.746 1.00 0.00 C ATOM 414 C LYS A 27 2.337 -0.446 5.737 1.00 0.00 C ATOM 415 O LYS A 27 1.397 -0.470 6.532 1.00 0.00 O ATOM 416 CB LYS A 27 4.327 0.526 6.900 1.00 0.00 C ATOM 417 CG LYS A 27 5.248 -0.671 6.731 1.00 0.00 C ATOM 418 CD LYS A 27 6.614 -0.414 7.344 1.00 0.00 C ATOM 419 CE LYS A 27 7.681 -1.301 6.721 1.00 0.00 C ATOM 420 NZ LYS A 27 8.281 -2.230 7.718 1.00 0.00 N ATOM 0 H LYS A 27 2.982 2.572 6.631 1.00 0.00 H new ATOM 0 HA LYS A 27 3.884 0.695 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.931 1.428 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.771 0.417 7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.797 -1.547 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.361 -0.898 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.884 0.633 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.572 -0.594 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.244 -1.877 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.464 -0.678 6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.003 -2.817 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.721 -1.681 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.539 -2.842 8.113 1.00 0.00 H new ATOM 434 N CYS A 28 2.546 -1.398 4.834 1.00 0.00 N ATOM 435 CA CYS A 28 1.662 -2.552 4.722 1.00 0.00 C ATOM 436 C CYS A 28 2.197 -3.727 5.535 1.00 0.00 C ATOM 437 O CYS A 28 3.398 -3.856 5.770 1.00 0.00 O ATOM 438 CB CYS A 28 1.504 -2.960 3.257 1.00 0.00 C ATOM 439 SG CYS A 28 1.162 -1.581 2.139 1.00 0.00 S ATOM 0 H CYS A 28 3.320 -1.393 4.169 1.00 0.00 H new ATOM 0 HA CYS A 28 0.687 -2.272 5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.415 -3.461 2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.695 -3.686 3.179 1.00 0.00 H new ATOM 0 HG CYS A 28 1.047 -2.026 0.923 1.00 0.00 H new ATOM 445 N PRO A 29 1.284 -4.606 5.977 1.00 0.00 N ATOM 446 CA PRO A 29 1.640 -5.786 6.771 1.00 0.00 C ATOM 447 C PRO A 29 2.393 -6.829 5.953 1.00 0.00 C ATOM 448 O PRO A 29 1.812 -7.814 5.497 1.00 0.00 O ATOM 449 CB PRO A 29 0.283 -6.334 7.219 1.00 0.00 C ATOM 450 CG PRO A 29 -0.679 -5.854 6.188 1.00 0.00 C ATOM 451 CD PRO A 29 -0.165 -4.516 5.733 1.00 0.00 C ATOM 0 HA PRO A 29 2.307 -5.537 7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.294 -7.423 7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.016 -5.968 8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.738 -6.553 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.683 -5.766 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.385 -4.338 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.617 -3.699 6.296 1.00 0.00 H new ATOM 459 N LYS A 30 3.691 -6.609 5.772 1.00 0.00 N ATOM 460 CA LYS A 30 4.525 -7.531 5.011 1.00 0.00 C ATOM 461 C LYS A 30 5.952 -7.545 5.548 1.00 0.00 C ATOM 462 O LYS A 30 6.890 -7.146 4.858 1.00 0.00 O ATOM 463 CB LYS A 30 4.530 -7.143 3.530 1.00 0.00 C ATOM 464 CG LYS A 30 3.185 -7.324 2.849 1.00 0.00 C ATOM 465 CD LYS A 30 2.794 -8.789 2.765 1.00 0.00 C ATOM 466 CE LYS A 30 2.111 -9.110 1.445 1.00 0.00 C ATOM 467 NZ LYS A 30 0.706 -8.621 1.413 1.00 0.00 N ATOM 0 H LYS A 30 4.188 -5.799 6.143 1.00 0.00 H new ATOM 0 HA LYS A 30 4.106 -8.532 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.837 -6.101 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.276 -7.743 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.421 -6.774 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.224 -6.899 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.683 -9.410 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.127 -9.036 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.671 -8.657 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.124 -10.188 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.348 -8.658 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.115 -9.222 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.672 -7.640 1.757 1.00 0.00 H new ATOM 481 N PHE A 31 6.110 -8.006 6.784 1.00 0.00 N ATOM 482 CA PHE A 31 7.423 -8.072 7.415 1.00 0.00 C ATOM 483 C PHE A 31 7.935 -9.509 7.456 1.00 0.00 C ATOM 484 O PHE A 31 7.350 -10.367 8.117 1.00 0.00 O ATOM 485 CB PHE A 31 7.361 -7.498 8.831 1.00 0.00 C ATOM 486 CG PHE A 31 6.153 -7.940 9.605 1.00 0.00 C ATOM 487 CD1 PHE A 31 4.968 -7.224 9.534 1.00 0.00 C ATOM 488 CD2 PHE A 31 6.200 -9.072 10.403 1.00 0.00 C ATOM 489 CE1 PHE A 31 3.855 -7.629 10.245 1.00 0.00 C ATOM 490 CE2 PHE A 31 5.089 -9.481 11.118 1.00 0.00 C ATOM 491 CZ PHE A 31 3.915 -8.759 11.037 1.00 0.00 C ATOM 0 H PHE A 31 5.344 -8.340 7.369 1.00 0.00 H new ATOM 0 HA PHE A 31 8.115 -7.476 6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.259 -7.794 9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.368 -6.410 8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.914 -6.340 8.916 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.115 -9.642 10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.938 -7.062 10.182 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.140 -10.363 11.739 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.045 -9.077 11.592 1.00 0.00 H new ATOM 501 N ASP A 32 9.029 -9.762 6.747 1.00 0.00 N ATOM 502 CA ASP A 32 9.621 -11.094 6.704 1.00 0.00 C ATOM 503 C ASP A 32 8.586 -12.135 6.286 1.00 0.00 C ATOM 504 O ASP A 32 8.210 -13.002 7.075 1.00 0.00 O ATOM 505 CB ASP A 32 10.208 -11.460 8.068 1.00 0.00 C ATOM 506 CG ASP A 32 10.952 -10.303 8.707 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.169 -10.171 8.459 1.00 0.00 O ATOM 508 OD2 ASP A 32 10.316 -9.530 9.452 1.00 0.00 O ATOM 0 H ASP A 32 9.524 -9.062 6.194 1.00 0.00 H new ATOM 0 HA ASP A 32 10.421 -11.085 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.405 -11.783 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.886 -12.306 7.954 1.00 0.00 H new ATOM 513 N ASN A 33 8.129 -12.041 5.042 1.00 0.00 N ATOM 514 CA ASN A 33 7.136 -12.973 4.520 1.00 0.00 C ATOM 515 C ASN A 33 6.789 -12.645 3.071 1.00 0.00 C ATOM 516 O ASN A 33 6.528 -13.538 2.265 1.00 0.00 O ATOM 517 CB ASN A 33 5.871 -12.938 5.380 1.00 0.00 C ATOM 518 CG ASN A 33 5.315 -14.323 5.649 1.00 0.00 C ATOM 519 OD1 ASN A 33 4.318 -14.732 5.053 1.00 0.00 O ATOM 520 ND2 ASN A 33 5.960 -15.054 6.551 1.00 0.00 N ATOM 0 H ASN A 33 8.430 -11.329 4.377 1.00 0.00 H new ATOM 0 HA ASN A 33 7.563 -13.975 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.093 -12.448 6.328 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.112 -12.336 4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.633 -15.994 6.774 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.782 -14.675 7.021 1.00 0.00 H new ATOM 527 N LYS A 34 6.788 -11.356 2.748 1.00 0.00 N ATOM 528 CA LYS A 34 6.475 -10.907 1.396 1.00 0.00 C ATOM 529 C LYS A 34 6.651 -9.397 1.271 1.00 0.00 C ATOM 530 O LYS A 34 5.705 -8.675 0.957 1.00 0.00 O ATOM 531 CB LYS A 34 5.042 -11.296 1.027 1.00 0.00 C ATOM 532 CG LYS A 34 4.835 -11.509 -0.463 1.00 0.00 C ATOM 533 CD LYS A 34 4.640 -12.978 -0.795 1.00 0.00 C ATOM 534 CE LYS A 34 4.967 -13.269 -2.253 1.00 0.00 C ATOM 535 NZ LYS A 34 5.803 -14.492 -2.400 1.00 0.00 N ATOM 0 H LYS A 34 7.000 -10.604 3.404 1.00 0.00 H new ATOM 0 HA LYS A 34 7.166 -11.394 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.774 -12.210 1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.362 -10.517 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.966 -10.942 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.695 -11.123 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.276 -13.585 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.609 -13.265 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.041 -13.392 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.491 -12.417 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.004 -14.656 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.697 -14.365 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.292 -15.310 -2.011 1.00 0.00 H new ATOM 549 N LYS A 35 7.869 -8.925 1.516 1.00 0.00 N ATOM 550 CA LYS A 35 8.170 -7.502 1.427 1.00 0.00 C ATOM 551 C LYS A 35 8.354 -7.073 -0.025 1.00 0.00 C ATOM 552 O LYS A 35 8.802 -7.859 -0.862 1.00 0.00 O ATOM 553 CB LYS A 35 9.433 -7.176 2.230 1.00 0.00 C ATOM 554 CG LYS A 35 9.192 -6.213 3.378 1.00 0.00 C ATOM 555 CD LYS A 35 10.321 -5.204 3.507 1.00 0.00 C ATOM 556 CE LYS A 35 10.521 -4.771 4.951 1.00 0.00 C ATOM 557 NZ LYS A 35 11.369 -3.552 5.053 1.00 0.00 N ATOM 0 H LYS A 35 8.664 -9.508 1.778 1.00 0.00 H new ATOM 0 HA LYS A 35 7.327 -6.952 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.851 -8.102 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.179 -6.750 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.250 -5.688 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.095 -6.772 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.245 -5.640 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.102 -4.331 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.551 -4.578 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.983 -5.583 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.481 -3.290 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.303 -3.743 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.916 -2.770 4.539 1.00 0.00 H new ATOM 571 N CYS A 36 8.008 -5.824 -0.317 1.00 0.00 N ATOM 572 CA CYS A 36 8.135 -5.292 -1.669 1.00 0.00 C ATOM 573 C CYS A 36 9.538 -5.529 -2.217 1.00 0.00 C ATOM 574 O CYS A 36 10.502 -5.644 -1.459 1.00 0.00 O ATOM 575 CB CYS A 36 7.814 -3.797 -1.683 1.00 0.00 C ATOM 576 SG CYS A 36 9.086 -2.762 -0.921 1.00 0.00 S ATOM 0 H CYS A 36 7.638 -5.161 0.364 1.00 0.00 H new ATOM 0 HA CYS A 36 7.423 -5.815 -2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.670 -3.477 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.869 -3.634 -1.164 1.00 0.00 H new ATOM 0 HG CYS A 36 8.965 -1.540 -1.349 1.00 0.00 H new ATOM 582 N THR A 37 9.647 -5.604 -3.540 1.00 0.00 N ATOM 583 CA THR A 37 10.932 -5.830 -4.190 1.00 0.00 C ATOM 584 C THR A 37 10.939 -5.265 -5.605 1.00 0.00 C ATOM 585 O THR A 37 11.486 -5.873 -6.526 1.00 0.00 O ATOM 586 CB THR A 37 11.276 -7.331 -4.247 1.00 0.00 C ATOM 587 OG1 THR A 37 10.122 -8.084 -4.637 1.00 0.00 O ATOM 588 CG2 THR A 37 11.776 -7.822 -2.897 1.00 0.00 C ATOM 0 H THR A 37 8.860 -5.511 -4.182 1.00 0.00 H new ATOM 0 HA THR A 37 11.684 -5.315 -3.592 1.00 0.00 H new ATOM 0 HB THR A 37 12.067 -7.473 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.350 -9.037 -4.672 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.013 -8.884 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.671 -7.267 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.003 -7.667 -2.144 1.00 0.00 H new ATOM 596 N LYS A 38 10.330 -4.096 -5.773 1.00 0.00 N ATOM 597 CA LYS A 38 10.267 -3.446 -7.077 1.00 0.00 C ATOM 598 C LYS A 38 9.507 -2.127 -6.992 1.00 0.00 C ATOM 599 O LYS A 38 8.673 -1.936 -6.106 1.00 0.00 O ATOM 600 CB LYS A 38 9.596 -4.368 -8.098 1.00 0.00 C ATOM 601 CG LYS A 38 10.556 -4.929 -9.134 1.00 0.00 C ATOM 602 CD LYS A 38 10.379 -4.251 -10.482 1.00 0.00 C ATOM 603 CE LYS A 38 9.341 -4.966 -11.334 1.00 0.00 C ATOM 604 NZ LYS A 38 8.028 -4.263 -11.315 1.00 0.00 N ATOM 0 H LYS A 38 9.873 -3.579 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 38 11.287 -3.237 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.120 -5.195 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.805 -3.817 -8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.582 -4.796 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.392 -6.001 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.077 -3.215 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.333 -4.232 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.700 -5.037 -12.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.212 -5.985 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.373 -4.732 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.633 -4.292 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.160 -3.273 -11.606 1.00 0.00 H new ATOM 618 N ASP A 39 9.800 -1.219 -7.917 1.00 0.00 N ATOM 619 CA ASP A 39 9.142 0.082 -7.946 1.00 0.00 C ATOM 620 C ASP A 39 7.696 -0.051 -8.416 1.00 0.00 C ATOM 621 O ASP A 39 7.437 -0.424 -9.559 1.00 0.00 O ATOM 622 CB ASP A 39 9.903 1.041 -8.863 1.00 0.00 C ATOM 623 CG ASP A 39 10.282 0.400 -10.185 1.00 0.00 C ATOM 624 OD1 ASP A 39 11.172 -0.477 -10.184 1.00 0.00 O ATOM 625 OD2 ASP A 39 9.691 0.776 -11.219 1.00 0.00 O ATOM 0 H ASP A 39 10.489 -1.360 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 39 9.140 0.484 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.289 1.922 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.805 1.384 -8.357 1.00 0.00 H new ATOM 630 N ASN A 40 6.760 0.256 -7.525 1.00 0.00 N ATOM 631 CA ASN A 40 5.340 0.169 -7.847 1.00 0.00 C ATOM 632 C ASN A 40 4.948 -1.264 -8.193 1.00 0.00 C ATOM 633 O ASN A 40 4.726 -1.593 -9.357 1.00 0.00 O ATOM 634 CB ASN A 40 5.003 1.099 -9.015 1.00 0.00 C ATOM 635 CG ASN A 40 4.475 2.442 -8.551 1.00 0.00 C ATOM 636 OD1 ASN A 40 3.346 2.820 -8.866 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.291 3.171 -7.798 1.00 0.00 N ATOM 0 H ASN A 40 6.959 0.567 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 40 4.774 0.480 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.895 1.253 -9.622 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.261 0.621 -9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.990 4.084 -7.456 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.218 2.818 -7.562 1.00 0.00 H new ATOM 644 N ASN A 41 4.863 -2.111 -7.172 1.00 0.00 N ATOM 645 CA ASN A 41 4.497 -3.509 -7.369 1.00 0.00 C ATOM 646 C ASN A 41 2.981 -3.674 -7.413 1.00 0.00 C ATOM 647 O ASN A 41 2.390 -3.798 -8.487 1.00 0.00 O ATOM 648 CB ASN A 41 5.082 -4.372 -6.249 1.00 0.00 C ATOM 649 CG ASN A 41 6.306 -5.148 -6.696 1.00 0.00 C ATOM 650 OD1 ASN A 41 6.782 -4.985 -7.821 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.821 -5.999 -5.817 1.00 0.00 N ATOM 0 H ASN A 41 5.042 -1.854 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 41 4.908 -3.835 -8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.347 -3.736 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.322 -5.069 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.644 -6.550 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.394 -6.102 -4.896 1.00 0.00 H new ATOM 658 N LYS A 42 2.356 -3.672 -6.240 1.00 0.00 N ATOM 659 CA LYS A 42 0.909 -3.818 -6.144 1.00 0.00 C ATOM 660 C LYS A 42 0.451 -3.750 -4.691 1.00 0.00 C ATOM 661 O LYS A 42 1.132 -4.244 -3.791 1.00 0.00 O ATOM 662 CB LYS A 42 0.467 -5.144 -6.767 1.00 0.00 C ATOM 663 CG LYS A 42 -0.987 -5.490 -6.496 1.00 0.00 C ATOM 664 CD LYS A 42 -1.530 -6.467 -7.526 1.00 0.00 C ATOM 665 CE LYS A 42 -3.010 -6.740 -7.308 1.00 0.00 C ATOM 666 NZ LYS A 42 -3.821 -6.387 -8.506 1.00 0.00 N ATOM 0 H LYS A 42 2.830 -3.571 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 42 0.449 -2.995 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.626 -5.100 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.100 -5.944 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.079 -5.922 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.586 -4.580 -6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.377 -6.064 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.974 -7.403 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.154 -7.794 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.362 -6.168 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.824 -6.588 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.704 -5.376 -8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.502 -6.951 -9.320 1.00 0.00 H new ATOM 680 N CYS A 43 -0.706 -3.136 -4.468 1.00 0.00 N ATOM 681 CA CYS A 43 -1.255 -3.005 -3.122 1.00 0.00 C ATOM 682 C CYS A 43 -2.724 -2.596 -3.173 1.00 0.00 C ATOM 683 O CYS A 43 -3.195 -2.050 -4.172 1.00 0.00 O ATOM 684 CB CYS A 43 -0.455 -1.977 -2.322 1.00 0.00 C ATOM 685 SG CYS A 43 -0.715 -0.266 -2.845 1.00 0.00 S ATOM 0 H CYS A 43 -1.282 -2.721 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.183 -3.975 -2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.720 -2.067 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.606 -2.214 -2.406 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.204 0.421 -1.855 1.00 0.00 H new ATOM 691 N THR A 44 -3.445 -2.866 -2.089 1.00 0.00 N ATOM 692 CA THR A 44 -4.861 -2.530 -2.010 1.00 0.00 C ATOM 693 C THR A 44 -5.252 -2.124 -0.593 1.00 0.00 C ATOM 694 O THR A 44 -4.562 -2.457 0.371 1.00 0.00 O ATOM 695 CB THR A 44 -5.744 -3.710 -2.455 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.975 -4.919 -2.473 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.331 -3.456 -3.836 1.00 0.00 C ATOM 0 H THR A 44 -3.071 -3.316 -1.254 1.00 0.00 H new ATOM 0 HA THR A 44 -5.024 -1.689 -2.684 1.00 0.00 H new ATOM 0 HB THR A 44 -6.562 -3.811 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.545 -5.665 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.951 -4.303 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.939 -2.552 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.523 -3.331 -4.557 1.00 0.00 H new ATOM 705 N VAL A 45 -6.362 -1.403 -0.473 1.00 0.00 N ATOM 706 CA VAL A 45 -6.845 -0.954 0.826 1.00 0.00 C ATOM 707 C VAL A 45 -8.364 -0.823 0.832 1.00 0.00 C ATOM 708 O VAL A 45 -8.966 -0.416 -0.161 1.00 0.00 O ATOM 709 CB VAL A 45 -6.223 0.399 1.219 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.786 0.881 2.547 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.707 0.290 1.282 1.00 0.00 C ATOM 0 H VAL A 45 -6.944 -1.117 -1.261 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.545 -1.708 1.553 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.481 1.133 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.334 1.838 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.866 1.000 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.561 0.150 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.284 1.255 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.426 -0.457 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.323 -0.006 0.306 1.00 0.00 H new ATOM 721 N ASP A 46 -8.977 -1.169 1.959 1.00 0.00 N ATOM 722 CA ASP A 46 -10.427 -1.088 2.095 1.00 0.00 C ATOM 723 C ASP A 46 -10.812 -0.270 3.323 1.00 0.00 C ATOM 724 O ASP A 46 -10.144 -0.327 4.356 1.00 0.00 O ATOM 725 CB ASP A 46 -11.030 -2.491 2.194 1.00 0.00 C ATOM 726 CG ASP A 46 -11.412 -3.052 0.838 1.00 0.00 C ATOM 727 OD1 ASP A 46 -10.513 -3.212 -0.014 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.611 -3.332 0.629 1.00 0.00 O ATOM 0 H ASP A 46 -8.493 -1.508 2.791 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.823 -0.591 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.313 -3.159 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.912 -2.460 2.833 1.00 0.00 H new ATOM 733 N THR A 47 -11.893 0.495 3.204 1.00 0.00 N ATOM 734 CA THR A 47 -12.367 1.327 4.302 1.00 0.00 C ATOM 735 C THR A 47 -13.091 0.492 5.353 1.00 0.00 C ATOM 736 O THR A 47 -13.396 0.978 6.442 1.00 0.00 O ATOM 737 CB THR A 47 -13.314 2.434 3.800 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.507 1.851 3.262 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.636 3.285 2.738 1.00 0.00 C ATOM 0 H THR A 47 -12.457 0.555 2.356 1.00 0.00 H new ATOM 0 HA THR A 47 -11.487 1.788 4.751 1.00 0.00 H new ATOM 0 HB THR A 47 -13.571 3.073 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.262 2.042 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.324 4.060 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.745 3.750 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.353 2.656 1.894 1.00 0.00 H new ATOM 747 N TYR A 48 -13.360 -0.764 5.020 1.00 0.00 N ATOM 748 CA TYR A 48 -14.050 -1.666 5.935 1.00 0.00 C ATOM 749 C TYR A 48 -13.372 -1.679 7.301 1.00 0.00 C ATOM 750 O TYR A 48 -13.994 -1.374 8.318 1.00 0.00 O ATOM 751 CB TYR A 48 -14.086 -3.082 5.358 1.00 0.00 C ATOM 752 CG TYR A 48 -14.637 -4.113 6.317 1.00 0.00 C ATOM 753 CD1 TYR A 48 -15.991 -4.151 6.627 1.00 0.00 C ATOM 754 CD2 TYR A 48 -13.803 -5.050 6.914 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.497 -5.091 7.503 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.301 -5.995 7.790 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.649 -6.010 8.082 1.00 0.00 C ATOM 758 OH TYR A 48 -16.149 -6.949 8.955 1.00 0.00 O ATOM 0 H TYR A 48 -13.111 -1.182 4.123 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.071 -1.305 6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.692 -3.081 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.077 -3.372 5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.659 -3.433 6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.747 -5.039 6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.552 -5.106 7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.639 -6.718 8.243 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.420 -7.521 9.273 1.00 0.00 H new ATOM 768 N ASN A 49 -12.092 -2.034 7.314 1.00 0.00 N ATOM 769 CA ASN A 49 -11.326 -2.087 8.555 1.00 0.00 C ATOM 770 C ASN A 49 -9.851 -1.798 8.298 1.00 0.00 C ATOM 771 O ASN A 49 -8.972 -2.421 8.893 1.00 0.00 O ATOM 772 CB ASN A 49 -11.482 -3.458 9.216 1.00 0.00 C ATOM 773 CG ASN A 49 -10.883 -4.573 8.382 1.00 0.00 C ATOM 774 OD1 ASN A 49 -10.451 -4.353 7.250 1.00 0.00 O ATOM 775 ND2 ASN A 49 -10.853 -5.778 8.938 1.00 0.00 N ATOM 0 H ASN A 49 -11.563 -2.289 6.480 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.715 -1.321 9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.003 -3.443 10.195 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.540 -3.660 9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.461 -6.567 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.222 -5.915 9.879 1.00 0.00 H new ATOM 782 N ASN A 50 -9.586 -0.849 7.405 1.00 0.00 N ATOM 783 CA ASN A 50 -8.217 -0.477 7.068 1.00 0.00 C ATOM 784 C ASN A 50 -7.389 -1.710 6.716 1.00 0.00 C ATOM 785 O ASN A 50 -6.262 -1.870 7.184 1.00 0.00 O ATOM 786 CB ASN A 50 -7.567 0.269 8.236 1.00 0.00 C ATOM 787 CG ASN A 50 -6.656 1.389 7.770 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.699 2.499 8.299 1.00 0.00 O ATOM 789 ND2 ASN A 50 -5.826 1.101 6.774 1.00 0.00 N ATOM 0 H ASN A 50 -10.302 -0.324 6.902 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.249 0.179 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.345 0.681 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.994 -0.435 8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.190 1.814 6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.825 0.166 6.365 1.00 0.00 H new ATOM 796 N ALA A 51 -7.958 -2.579 5.885 1.00 0.00 N ATOM 797 CA ALA A 51 -7.273 -3.796 5.468 1.00 0.00 C ATOM 798 C ALA A 51 -6.280 -3.509 4.346 1.00 0.00 C ATOM 799 O ALA A 51 -6.596 -3.671 3.167 1.00 0.00 O ATOM 800 CB ALA A 51 -8.283 -4.845 5.025 1.00 0.00 C ATOM 0 H ALA A 51 -8.890 -2.462 5.488 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.716 -4.181 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.757 -5.749 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.951 -5.079 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.864 -4.459 4.188 1.00 0.00 H new ATOM 806 N VAL A 52 -5.078 -3.083 4.721 1.00 0.00 N ATOM 807 CA VAL A 52 -4.038 -2.774 3.746 1.00 0.00 C ATOM 808 C VAL A 52 -3.291 -4.033 3.322 1.00 0.00 C ATOM 809 O VAL A 52 -2.729 -4.743 4.155 1.00 0.00 O ATOM 810 CB VAL A 52 -3.029 -1.754 4.306 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.042 -1.332 3.228 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.754 -0.546 4.879 1.00 0.00 C ATOM 0 H VAL A 52 -4.800 -2.944 5.693 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.536 -2.342 2.878 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.469 -2.228 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.337 -0.611 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.499 -2.206 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.582 -0.876 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.025 0.164 5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.341 -0.068 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.416 -0.867 5.683 1.00 0.00 H new ATOM 822 N ASP A 53 -3.288 -4.303 2.022 1.00 0.00 N ATOM 823 CA ASP A 53 -2.608 -5.476 1.485 1.00 0.00 C ATOM 824 C ASP A 53 -1.375 -5.071 0.683 1.00 0.00 C ATOM 825 O ASP A 53 -0.999 -3.898 0.655 1.00 0.00 O ATOM 826 CB ASP A 53 -3.560 -6.287 0.606 1.00 0.00 C ATOM 827 CG ASP A 53 -4.788 -6.757 1.361 1.00 0.00 C ATOM 828 OD1 ASP A 53 -4.627 -7.498 2.352 1.00 0.00 O ATOM 829 OD2 ASP A 53 -5.910 -6.382 0.960 1.00 0.00 O ATOM 0 H ASP A 53 -3.749 -3.725 1.319 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.286 -6.093 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.870 -5.680 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.031 -7.151 0.204 1.00 0.00 H new ATOM 834 N CYS A 54 -0.750 -6.047 0.034 1.00 0.00 N ATOM 835 CA CYS A 54 0.442 -5.792 -0.768 1.00 0.00 C ATOM 836 C CYS A 54 0.611 -6.859 -1.844 1.00 0.00 C ATOM 837 O CYS A 54 -0.187 -7.792 -1.938 1.00 0.00 O ATOM 838 CB CYS A 54 1.682 -5.750 0.125 1.00 0.00 C ATOM 839 SG CYS A 54 2.858 -4.446 -0.306 1.00 0.00 S ATOM 0 H CYS A 54 -1.049 -7.022 0.047 1.00 0.00 H new ATOM 0 HA CYS A 54 0.322 -4.825 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.367 -5.613 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.188 -6.714 0.071 1.00 0.00 H new ATOM 0 HG CYS A 54 4.070 -4.908 -0.216 1.00 0.00 H new ATOM 845 N ASP A 55 1.653 -6.712 -2.655 1.00 0.00 N ATOM 846 CA ASP A 55 1.926 -7.664 -3.727 1.00 0.00 C ATOM 847 C ASP A 55 2.577 -8.929 -3.177 1.00 0.00 C ATOM 848 O ASP A 55 3.377 -8.872 -2.242 1.00 0.00 O ATOM 849 CB ASP A 55 2.831 -7.027 -4.783 1.00 0.00 C ATOM 850 CG ASP A 55 2.789 -7.770 -6.104 1.00 0.00 C ATOM 851 OD1 ASP A 55 2.466 -8.976 -6.097 1.00 0.00 O ATOM 852 OD2 ASP A 55 3.081 -7.144 -7.144 1.00 0.00 O ATOM 0 H ASP A 55 2.322 -5.944 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 55 0.977 -7.937 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.527 -5.992 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.856 -7.005 -4.414 1.00 0.00 H new TER 857 ASP A 55