USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 378 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 35 TYR OH : rot 180:sc= 1.46 USER MOD Set 1.2: A 46 TYR OH : rot -42:sc= 0.678 USER MOD Single : A 1 LYS N :NH3+ -178:sc= -1.47 (180deg=-1.48) USER MOD Single : A 1 LYS NZ :NH3+ -163:sc= -0.0364 (180deg=-0.419) USER MOD Single : A 2 LYS NZ :NH3+ -142:sc= -0.42 (180deg=-0.855) USER MOD Single : A 5 TYR OH : rot -89:sc= -0.244 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.12! C(o=-2.1!,f=-6.4!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= -0.402 (180deg=-1.74) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -1.1! USER MOD Single : A 23 ASN : amide:sc= -0.0557 K(o=-0.056,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= -2.55! (180deg=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -93:sc= -0.0595 (180deg=-1.12) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 15:sc= 0.0418 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 51 ASN : amide:sc= -2.07! C(o=-2.1!,f=-7.8!) USER MOD Single : A 52 SER OG : rot -170:sc= -0.0991 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 0.114 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.158 14.063 2.230 1.00 0.00 N ATOM 2 CA LYS A 1 3.617 12.677 1.940 1.00 0.00 C ATOM 3 C LYS A 1 3.623 11.869 3.239 1.00 0.00 C ATOM 4 O LYS A 1 3.800 12.411 4.311 1.00 0.00 O ATOM 5 CB LYS A 1 5.033 12.721 1.363 1.00 0.00 C ATOM 6 CG LYS A 1 5.892 13.683 2.186 1.00 0.00 C ATOM 7 CD LYS A 1 7.368 13.333 1.993 1.00 0.00 C ATOM 8 CE LYS A 1 8.233 14.253 2.857 1.00 0.00 C ATOM 9 NZ LYS A 1 8.072 15.663 2.399 1.00 0.00 N ATOM 0 H1 LYS A 1 3.119 14.608 1.345 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.211 14.032 2.660 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.822 14.518 2.888 1.00 0.00 H new ATOM 0 HA LYS A 1 2.945 12.210 1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.473 11.724 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.003 13.044 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.706 14.711 1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.625 13.616 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.543 12.292 2.265 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.643 13.439 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.943 14.164 3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.279 13.955 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.851 16.241 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.087 15.694 1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.166 16.039 2.744 1.00 0.00 H new ATOM 25 N LYS A 2 3.430 10.579 3.159 1.00 0.00 N ATOM 26 CA LYS A 2 3.427 9.759 4.404 1.00 0.00 C ATOM 27 C LYS A 2 3.419 8.266 4.055 1.00 0.00 C ATOM 28 O LYS A 2 2.993 7.869 2.989 1.00 0.00 O ATOM 29 CB LYS A 2 2.186 10.110 5.241 1.00 0.00 C ATOM 30 CG LYS A 2 0.965 9.310 4.764 1.00 0.00 C ATOM 31 CD LYS A 2 0.593 9.729 3.339 1.00 0.00 C ATOM 32 CE LYS A 2 -0.866 10.190 3.308 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.654 9.291 2.418 1.00 0.00 N ATOM 0 H LYS A 2 3.276 10.062 2.293 1.00 0.00 H new ATOM 0 HA LYS A 2 4.327 9.976 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.378 9.897 6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.980 11.178 5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.184 8.243 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.123 9.481 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.247 10.533 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.736 8.894 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.283 10.179 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.926 11.218 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.351 9.852 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.014 8.814 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.148 8.579 2.993 1.00 0.00 H new ATOM 47 N ASP A 3 3.867 7.436 4.959 1.00 0.00 N ATOM 48 CA ASP A 3 3.865 5.975 4.700 1.00 0.00 C ATOM 49 C ASP A 3 2.479 5.437 5.058 1.00 0.00 C ATOM 50 O ASP A 3 1.670 6.140 5.630 1.00 0.00 O ATOM 51 CB ASP A 3 4.912 5.307 5.591 1.00 0.00 C ATOM 52 CG ASP A 3 6.079 6.268 5.833 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.566 6.833 4.867 1.00 0.00 O ATOM 54 OD2 ASP A 3 6.465 6.424 6.980 1.00 0.00 O ATOM 0 H ASP A 3 4.235 7.713 5.869 1.00 0.00 H new ATOM 0 HA ASP A 3 4.097 5.769 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.463 5.019 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.274 4.393 5.120 1.00 0.00 H new ATOM 59 N GLY A 4 2.186 4.207 4.745 1.00 0.00 N ATOM 60 CA GLY A 4 0.837 3.678 5.103 1.00 0.00 C ATOM 61 C GLY A 4 0.423 2.559 4.152 1.00 0.00 C ATOM 62 O GLY A 4 1.235 1.967 3.471 1.00 0.00 O ATOM 0 H GLY A 4 2.806 3.554 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.848 3.305 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.104 4.484 5.065 1.00 0.00 H new ATOM 66 N TYR A 5 -0.849 2.269 4.119 1.00 0.00 N ATOM 67 CA TYR A 5 -1.361 1.189 3.229 1.00 0.00 C ATOM 68 C TYR A 5 -2.086 1.819 2.032 1.00 0.00 C ATOM 69 O TYR A 5 -3.281 2.045 2.086 1.00 0.00 O ATOM 70 CB TYR A 5 -2.359 0.318 4.004 1.00 0.00 C ATOM 71 CG TYR A 5 -1.656 -0.828 4.703 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.528 -1.437 4.132 1.00 0.00 C ATOM 73 CD2 TYR A 5 -2.145 -1.286 5.934 1.00 0.00 C ATOM 74 CE1 TYR A 5 0.102 -2.499 4.791 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.513 -2.348 6.591 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.389 -2.954 6.018 1.00 0.00 C ATOM 77 OH TYR A 5 0.234 -4.002 6.664 1.00 0.00 O ATOM 0 H TYR A 5 -1.562 2.739 4.676 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.526 0.580 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.885 0.928 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.111 -0.076 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.146 -1.086 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.012 -0.818 6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.969 -2.968 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.892 -2.700 7.539 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.157 -4.849 6.365 1.00 0.00 H new ATOM 87 N PRO A 6 -1.345 2.085 0.985 1.00 0.00 N ATOM 88 CA PRO A 6 -1.902 2.690 -0.239 1.00 0.00 C ATOM 89 C PRO A 6 -3.099 1.887 -0.761 1.00 0.00 C ATOM 90 O PRO A 6 -2.966 0.767 -1.231 1.00 0.00 O ATOM 91 CB PRO A 6 -0.749 2.656 -1.251 1.00 0.00 C ATOM 92 CG PRO A 6 0.489 2.060 -0.534 1.00 0.00 C ATOM 93 CD PRO A 6 0.102 1.811 0.932 1.00 0.00 C ATOM 0 HA PRO A 6 -2.270 3.700 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.018 2.051 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.532 3.659 -1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.797 1.130 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.334 2.746 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.323 0.787 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.655 2.467 1.605 1.00 0.00 H new ATOM 101 N VAL A 7 -4.269 2.463 -0.697 1.00 0.00 N ATOM 102 CA VAL A 7 -5.477 1.753 -1.207 1.00 0.00 C ATOM 103 C VAL A 7 -5.986 2.462 -2.461 1.00 0.00 C ATOM 104 O VAL A 7 -5.975 3.674 -2.543 1.00 0.00 O ATOM 105 CB VAL A 7 -6.582 1.763 -0.154 1.00 0.00 C ATOM 106 CG1 VAL A 7 -6.122 0.992 1.081 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.917 3.210 0.229 1.00 0.00 C ATOM 0 H VAL A 7 -4.440 3.393 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.208 0.722 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.473 1.286 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.913 1.001 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.896 -0.038 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.228 1.462 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.706 3.214 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.028 3.694 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.255 3.751 -0.655 1.00 0.00 H new ATOM 117 N ASP A 8 -6.446 1.727 -3.436 1.00 0.00 N ATOM 118 CA ASP A 8 -6.965 2.385 -4.670 1.00 0.00 C ATOM 119 C ASP A 8 -8.261 3.127 -4.325 1.00 0.00 C ATOM 120 O ASP A 8 -8.526 3.422 -3.176 1.00 0.00 O ATOM 121 CB ASP A 8 -7.241 1.327 -5.744 1.00 0.00 C ATOM 122 CG ASP A 8 -8.192 0.267 -5.186 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.600 0.410 -4.046 1.00 0.00 O ATOM 124 OD2 ASP A 8 -8.496 -0.667 -5.909 1.00 0.00 O ATOM 0 H ASP A 8 -6.485 0.708 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.227 3.090 -5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.679 1.795 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.307 0.862 -6.060 1.00 0.00 H new ATOM 129 N SER A 9 -9.071 3.435 -5.301 1.00 0.00 N ATOM 130 CA SER A 9 -10.342 4.159 -5.010 1.00 0.00 C ATOM 131 C SER A 9 -11.305 3.224 -4.276 1.00 0.00 C ATOM 132 O SER A 9 -12.315 3.647 -3.750 1.00 0.00 O ATOM 133 CB SER A 9 -10.985 4.618 -6.319 1.00 0.00 C ATOM 134 OG SER A 9 -11.515 3.490 -7.004 1.00 0.00 O ATOM 0 H SER A 9 -8.909 3.218 -6.284 1.00 0.00 H new ATOM 0 HA SER A 9 -10.126 5.027 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.777 5.339 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.247 5.123 -6.943 1.00 0.00 H new ATOM 0 HG SER A 9 -11.929 3.782 -7.843 1.00 0.00 H new ATOM 140 N GLY A 10 -11.005 1.957 -4.239 1.00 0.00 N ATOM 141 CA GLY A 10 -11.909 1.003 -3.539 1.00 0.00 C ATOM 142 C GLY A 10 -11.449 0.830 -2.091 1.00 0.00 C ATOM 143 O GLY A 10 -12.005 0.051 -1.343 1.00 0.00 O ATOM 0 H GLY A 10 -10.175 1.541 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.934 1.373 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.905 0.040 -4.050 1.00 0.00 H new ATOM 147 N ASN A 11 -10.431 1.543 -1.689 1.00 0.00 N ATOM 148 CA ASN A 11 -9.937 1.407 -0.293 1.00 0.00 C ATOM 149 C ASN A 11 -9.363 0.009 -0.121 1.00 0.00 C ATOM 150 O ASN A 11 -9.458 -0.603 0.924 1.00 0.00 O ATOM 151 CB ASN A 11 -11.088 1.627 0.690 1.00 0.00 C ATOM 152 CG ASN A 11 -10.659 2.636 1.758 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.757 3.422 1.540 1.00 0.00 O ATOM 154 ND2 ASN A 11 -11.268 2.647 2.912 1.00 0.00 N ATOM 0 H ASN A 11 -9.923 2.212 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.167 2.152 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.968 1.993 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.367 0.683 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.987 3.315 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.025 1.988 3.096 1.00 0.00 H new ATOM 161 N CYS A 12 -8.765 -0.491 -1.157 1.00 0.00 N ATOM 162 CA CYS A 12 -8.167 -1.840 -1.110 1.00 0.00 C ATOM 163 C CYS A 12 -6.645 -1.708 -1.097 1.00 0.00 C ATOM 164 O CYS A 12 -6.054 -1.129 -1.989 1.00 0.00 O ATOM 165 CB CYS A 12 -8.611 -2.604 -2.351 1.00 0.00 C ATOM 166 SG CYS A 12 -10.419 -2.705 -2.376 1.00 0.00 S ATOM 0 H CYS A 12 -8.665 -0.010 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.487 -2.373 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.251 -2.102 -3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.179 -3.605 -2.350 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.803 -3.354 -3.435 1.00 0.00 H new ATOM 171 N LYS A 13 -6.010 -2.233 -0.088 1.00 0.00 N ATOM 172 CA LYS A 13 -4.529 -2.137 -0.007 1.00 0.00 C ATOM 173 C LYS A 13 -3.899 -3.058 -1.048 1.00 0.00 C ATOM 174 O LYS A 13 -4.075 -4.260 -1.009 1.00 0.00 O ATOM 175 CB LYS A 13 -4.070 -2.574 1.385 1.00 0.00 C ATOM 176 CG LYS A 13 -2.786 -1.835 1.754 1.00 0.00 C ATOM 177 CD LYS A 13 -1.638 -2.312 0.862 1.00 0.00 C ATOM 178 CE LYS A 13 -1.145 -1.145 0.008 1.00 0.00 C ATOM 179 NZ LYS A 13 0.154 -1.500 -0.632 1.00 0.00 N ATOM 0 H LYS A 13 -6.455 -2.726 0.686 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.223 -1.108 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.848 -2.362 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.900 -3.651 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.928 -0.761 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.542 -2.012 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.823 -2.700 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.974 -3.129 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.884 -0.905 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.025 -0.255 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.327 -0.869 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.923 -1.394 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.120 -2.485 -0.963 1.00 0.00 H new ATOM 193 N TYR A 14 -3.159 -2.511 -1.975 1.00 0.00 N ATOM 194 CA TYR A 14 -2.515 -3.378 -3.006 1.00 0.00 C ATOM 195 C TYR A 14 -1.906 -4.603 -2.319 1.00 0.00 C ATOM 196 O TYR A 14 -1.351 -4.512 -1.241 1.00 0.00 O ATOM 197 CB TYR A 14 -1.420 -2.597 -3.735 1.00 0.00 C ATOM 198 CG TYR A 14 -2.008 -1.330 -4.306 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.549 -1.330 -5.598 1.00 0.00 C ATOM 200 CD2 TYR A 14 -2.013 -0.154 -3.545 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.092 -0.154 -6.128 1.00 0.00 C ATOM 202 CE2 TYR A 14 -2.555 1.020 -4.077 1.00 0.00 C ATOM 203 CZ TYR A 14 -3.097 1.020 -5.368 1.00 0.00 C ATOM 204 OH TYR A 14 -3.632 2.178 -5.892 1.00 0.00 O ATOM 0 H TYR A 14 -2.973 -1.512 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.263 -3.697 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.609 -2.358 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.993 -3.205 -4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.547 -2.237 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.598 -0.154 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.508 -0.153 -7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.556 1.928 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.557 2.900 -5.234 1.00 0.00 H new ATOM 214 N GLU A 15 -2.022 -5.752 -2.926 1.00 0.00 N ATOM 215 CA GLU A 15 -1.471 -6.988 -2.300 1.00 0.00 C ATOM 216 C GLU A 15 -0.019 -7.207 -2.726 1.00 0.00 C ATOM 217 O GLU A 15 0.474 -6.574 -3.639 1.00 0.00 O ATOM 218 CB GLU A 15 -2.308 -8.183 -2.739 1.00 0.00 C ATOM 219 CG GLU A 15 -2.169 -8.389 -4.248 1.00 0.00 C ATOM 220 CD GLU A 15 -3.549 -8.644 -4.858 1.00 0.00 C ATOM 221 OE1 GLU A 15 -4.263 -9.480 -4.330 1.00 0.00 O ATOM 222 OE2 GLU A 15 -3.868 -7.999 -5.844 1.00 0.00 O ATOM 0 H GLU A 15 -2.475 -5.889 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.505 -6.880 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.984 -9.079 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.354 -8.020 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.714 -7.510 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.508 -9.232 -4.451 1.00 0.00 H new ATOM 229 N CYS A 16 0.671 -8.102 -2.065 1.00 0.00 N ATOM 230 CA CYS A 16 2.091 -8.357 -2.428 1.00 0.00 C ATOM 231 C CYS A 16 2.550 -9.713 -1.887 1.00 0.00 C ATOM 232 O CYS A 16 1.885 -10.341 -1.087 1.00 0.00 O ATOM 233 CB CYS A 16 2.958 -7.253 -1.836 1.00 0.00 C ATOM 234 SG CYS A 16 2.741 -7.202 -0.036 1.00 0.00 S ATOM 0 H CYS A 16 0.311 -8.663 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 16 2.185 -8.368 -3.514 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.005 -7.430 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.687 -6.291 -2.272 1.00 0.00 H new ATOM 239 N LEU A 17 3.693 -10.163 -2.327 1.00 0.00 N ATOM 240 CA LEU A 17 4.226 -11.476 -1.857 1.00 0.00 C ATOM 241 C LEU A 17 5.719 -11.345 -1.533 1.00 0.00 C ATOM 242 O LEU A 17 6.251 -12.075 -0.722 1.00 0.00 O ATOM 243 CB LEU A 17 4.033 -12.522 -2.957 1.00 0.00 C ATOM 244 CG LEU A 17 2.543 -12.654 -3.268 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.350 -12.872 -4.770 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.959 -13.842 -2.498 1.00 0.00 C ATOM 0 H LEU A 17 4.286 -9.674 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 17 3.690 -11.783 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.579 -12.229 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.437 -13.483 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 17 2.030 -11.741 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.287 -12.966 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.760 -12.023 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.866 -13.783 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.896 -13.934 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.473 -14.756 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.092 -13.683 -1.428 1.00 0.00 H new ATOM 258 N LYS A 18 6.402 -10.428 -2.164 1.00 0.00 N ATOM 259 CA LYS A 18 7.857 -10.262 -1.891 1.00 0.00 C ATOM 260 C LYS A 18 8.145 -8.827 -1.444 1.00 0.00 C ATOM 261 O LYS A 18 7.298 -7.959 -1.518 1.00 0.00 O ATOM 262 CB LYS A 18 8.649 -10.562 -3.164 1.00 0.00 C ATOM 263 CG LYS A 18 9.016 -12.045 -3.195 1.00 0.00 C ATOM 264 CD LYS A 18 10.377 -12.246 -2.529 1.00 0.00 C ATOM 265 CE LYS A 18 11.248 -13.136 -3.416 1.00 0.00 C ATOM 266 NZ LYS A 18 10.935 -14.569 -3.148 1.00 0.00 N ATOM 0 H LYS A 18 6.014 -9.787 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 18 8.153 -10.951 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.058 -10.304 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.552 -9.952 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.256 -12.630 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.046 -12.402 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.863 -11.283 -2.371 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.250 -12.704 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.070 -12.905 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.302 -12.941 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.528 -15.173 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.126 -14.785 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.932 -14.750 -3.356 1.00 0.00 H new ATOM 280 N ASP A 19 9.340 -8.573 -0.982 1.00 0.00 N ATOM 281 CA ASP A 19 9.688 -7.196 -0.533 1.00 0.00 C ATOM 282 C ASP A 19 9.967 -6.321 -1.757 1.00 0.00 C ATOM 283 O ASP A 19 9.781 -5.121 -1.728 1.00 0.00 O ATOM 284 CB ASP A 19 10.930 -7.246 0.359 1.00 0.00 C ATOM 285 CG ASP A 19 10.849 -6.141 1.413 1.00 0.00 C ATOM 286 OD1 ASP A 19 9.860 -6.103 2.129 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.775 -5.351 1.488 1.00 0.00 O ATOM 0 H ASP A 19 10.089 -9.260 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 19 8.857 -6.775 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.003 -8.220 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.829 -7.122 -0.245 1.00 0.00 H new ATOM 292 N ASP A 20 10.406 -6.912 -2.836 1.00 0.00 N ATOM 293 CA ASP A 20 10.682 -6.103 -4.059 1.00 0.00 C ATOM 294 C ASP A 20 9.360 -5.574 -4.598 1.00 0.00 C ATOM 295 O ASP A 20 9.186 -4.388 -4.767 1.00 0.00 O ATOM 296 CB ASP A 20 11.371 -6.939 -5.151 1.00 0.00 C ATOM 297 CG ASP A 20 11.579 -8.387 -4.701 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.507 -8.625 -3.946 1.00 0.00 O ATOM 299 OD2 ASP A 20 10.806 -9.233 -5.120 1.00 0.00 O ATOM 0 H ASP A 20 10.584 -7.912 -2.924 1.00 0.00 H new ATOM 0 HA ASP A 20 11.352 -5.286 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.768 -6.922 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.334 -6.492 -5.400 1.00 0.00 H new ATOM 304 N TYR A 21 8.418 -6.437 -4.862 1.00 0.00 N ATOM 305 CA TYR A 21 7.111 -5.949 -5.376 1.00 0.00 C ATOM 306 C TYR A 21 6.672 -4.763 -4.519 1.00 0.00 C ATOM 307 O TYR A 21 6.011 -3.859 -4.983 1.00 0.00 O ATOM 308 CB TYR A 21 6.065 -7.060 -5.293 1.00 0.00 C ATOM 309 CG TYR A 21 4.697 -6.478 -5.555 1.00 0.00 C ATOM 310 CD1 TYR A 21 4.214 -6.383 -6.867 1.00 0.00 C ATOM 311 CD2 TYR A 21 3.911 -6.033 -4.487 1.00 0.00 C ATOM 312 CE1 TYR A 21 2.945 -5.844 -7.107 1.00 0.00 C ATOM 313 CE2 TYR A 21 2.643 -5.495 -4.728 1.00 0.00 C ATOM 314 CZ TYR A 21 2.160 -5.401 -6.038 1.00 0.00 C ATOM 315 OH TYR A 21 0.909 -4.872 -6.275 1.00 0.00 O ATOM 0 H TYR A 21 8.496 -7.447 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 21 7.212 -5.647 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.287 -7.839 -6.022 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.092 -7.527 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.821 -6.725 -7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.284 -6.105 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.572 -5.770 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.036 -5.152 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 21 0.496 -4.614 -5.424 1.00 0.00 H new ATOM 325 N CYS A 22 7.060 -4.754 -3.270 1.00 0.00 N ATOM 326 CA CYS A 22 6.691 -3.619 -2.381 1.00 0.00 C ATOM 327 C CYS A 22 7.550 -2.401 -2.691 1.00 0.00 C ATOM 328 O CYS A 22 7.065 -1.301 -2.713 1.00 0.00 O ATOM 329 CB CYS A 22 6.891 -4.001 -0.921 1.00 0.00 C ATOM 330 SG CYS A 22 5.348 -3.759 -0.008 1.00 0.00 S ATOM 0 H CYS A 22 7.617 -5.486 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 22 5.642 -3.382 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.208 -5.041 -0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.683 -3.394 -0.482 1.00 0.00 H new ATOM 335 N ASN A 23 8.816 -2.576 -2.923 1.00 0.00 N ATOM 336 CA ASN A 23 9.678 -1.398 -3.220 1.00 0.00 C ATOM 337 C ASN A 23 9.306 -0.838 -4.585 1.00 0.00 C ATOM 338 O ASN A 23 8.910 0.299 -4.714 1.00 0.00 O ATOM 339 CB ASN A 23 11.140 -1.847 -3.241 1.00 0.00 C ATOM 340 CG ASN A 23 12.051 -0.619 -3.276 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.706 0.421 -2.751 1.00 0.00 O ATOM 342 ND2 ASN A 23 13.206 -0.693 -3.878 1.00 0.00 N ATOM 0 H ASN A 23 9.293 -3.478 -2.921 1.00 0.00 H new ATOM 0 HA ASN A 23 9.536 -0.631 -2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.359 -2.450 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.326 -2.476 -4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.819 0.122 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.496 -1.566 -4.319 1.00 0.00 H new ATOM 349 N ASP A 24 9.434 -1.635 -5.599 1.00 0.00 N ATOM 350 CA ASP A 24 9.088 -1.171 -6.970 1.00 0.00 C ATOM 351 C ASP A 24 7.683 -0.565 -6.959 1.00 0.00 C ATOM 352 O ASP A 24 7.491 0.602 -7.231 1.00 0.00 O ATOM 353 CB ASP A 24 9.119 -2.372 -7.910 1.00 0.00 C ATOM 354 CG ASP A 24 9.252 -1.891 -9.356 1.00 0.00 C ATOM 355 OD1 ASP A 24 10.259 -1.273 -9.662 1.00 0.00 O ATOM 356 OD2 ASP A 24 8.348 -2.149 -10.134 1.00 0.00 O ATOM 0 H ASP A 24 9.766 -2.598 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 24 9.801 -0.418 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.954 -3.024 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.209 -2.960 -7.794 1.00 0.00 H new ATOM 361 N LEU A 25 6.701 -1.359 -6.641 1.00 0.00 N ATOM 362 CA LEU A 25 5.299 -0.854 -6.592 1.00 0.00 C ATOM 363 C LEU A 25 5.258 0.442 -5.777 1.00 0.00 C ATOM 364 O LEU A 25 4.597 1.408 -6.130 1.00 0.00 O ATOM 365 CB LEU A 25 4.420 -1.907 -5.905 1.00 0.00 C ATOM 366 CG LEU A 25 3.004 -1.366 -5.699 1.00 0.00 C ATOM 367 CD1 LEU A 25 2.036 -2.101 -6.623 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.575 -1.599 -4.246 1.00 0.00 C ATOM 0 H LEU A 25 6.809 -2.347 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 25 4.936 -0.663 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.386 -2.813 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.855 -2.182 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 25 2.991 -0.300 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.028 -1.715 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.335 -1.947 -7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.053 -3.167 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.566 -1.214 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.591 -2.667 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.262 -1.082 -3.576 1.00 0.00 H new ATOM 380 N CYS A 26 5.956 0.457 -4.677 1.00 0.00 N ATOM 381 CA CYS A 26 5.973 1.644 -3.807 1.00 0.00 C ATOM 382 C CYS A 26 6.493 2.858 -4.577 1.00 0.00 C ATOM 383 O CYS A 26 6.031 3.963 -4.394 1.00 0.00 O ATOM 384 CB CYS A 26 6.893 1.338 -2.623 1.00 0.00 C ATOM 385 SG CYS A 26 5.946 0.637 -1.238 1.00 0.00 S ATOM 0 H CYS A 26 6.523 -0.323 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 26 4.966 1.874 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.669 0.637 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.396 2.250 -2.302 1.00 0.00 H new ATOM 390 N LEU A 27 7.455 2.664 -5.431 1.00 0.00 N ATOM 391 CA LEU A 27 8.009 3.803 -6.202 1.00 0.00 C ATOM 392 C LEU A 27 6.975 4.296 -7.214 1.00 0.00 C ATOM 393 O LEU A 27 6.842 5.480 -7.452 1.00 0.00 O ATOM 394 CB LEU A 27 9.267 3.355 -6.951 1.00 0.00 C ATOM 395 CG LEU A 27 10.488 3.474 -6.036 1.00 0.00 C ATOM 396 CD1 LEU A 27 11.511 2.397 -6.407 1.00 0.00 C ATOM 397 CD2 LEU A 27 11.121 4.858 -6.207 1.00 0.00 C ATOM 0 H LEU A 27 7.883 1.759 -5.628 1.00 0.00 H new ATOM 0 HA LEU A 27 8.259 4.609 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.153 2.325 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.408 3.967 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 27 10.179 3.341 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.381 2.482 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.062 1.411 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.820 2.530 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.991 4.943 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.430 4.991 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.394 5.626 -5.944 1.00 0.00 H new ATOM 409 N GLU A 28 6.246 3.399 -7.818 1.00 0.00 N ATOM 410 CA GLU A 28 5.231 3.821 -8.815 1.00 0.00 C ATOM 411 C GLU A 28 4.290 4.827 -8.171 1.00 0.00 C ATOM 412 O GLU A 28 3.896 5.808 -8.770 1.00 0.00 O ATOM 413 CB GLU A 28 4.440 2.602 -9.296 1.00 0.00 C ATOM 414 CG GLU A 28 5.304 1.779 -10.253 1.00 0.00 C ATOM 415 CD GLU A 28 4.544 1.549 -11.559 1.00 0.00 C ATOM 416 OE1 GLU A 28 4.610 2.411 -12.420 1.00 0.00 O ATOM 417 OE2 GLU A 28 3.906 0.516 -11.676 1.00 0.00 O ATOM 0 H GLU A 28 6.311 2.393 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 28 5.726 4.280 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.139 1.992 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.527 2.922 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.241 2.299 -10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.561 0.823 -9.797 1.00 0.00 H new ATOM 424 N ARG A 29 3.929 4.588 -6.952 1.00 0.00 N ATOM 425 CA ARG A 29 3.011 5.525 -6.253 1.00 0.00 C ATOM 426 C ARG A 29 3.753 6.814 -5.903 1.00 0.00 C ATOM 427 O ARG A 29 3.150 7.853 -5.734 1.00 0.00 O ATOM 428 CB ARG A 29 2.494 4.882 -4.969 1.00 0.00 C ATOM 429 CG ARG A 29 1.239 4.060 -5.275 1.00 0.00 C ATOM 430 CD ARG A 29 1.589 2.928 -6.242 1.00 0.00 C ATOM 431 NE ARG A 29 1.034 1.636 -5.731 1.00 0.00 N ATOM 432 CZ ARG A 29 1.211 1.261 -4.489 1.00 0.00 C ATOM 433 NH1 ARG A 29 2.026 1.907 -3.700 1.00 0.00 N ATOM 434 NH2 ARG A 29 0.618 0.186 -4.055 1.00 0.00 N ATOM 0 H ARG A 29 4.229 3.782 -6.403 1.00 0.00 H new ATOM 0 HA ARG A 29 2.173 5.753 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.263 4.243 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.266 5.651 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.827 3.650 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.471 4.699 -5.710 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.183 3.143 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.671 2.852 -6.351 1.00 0.00 H new ATOM 0 HE ARG A 29 0.506 1.034 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.537 2.718 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.152 1.601 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.022 -0.356 -4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.750 -0.114 -3.089 1.00 0.00 H new ATOM 448 N LYS A 30 5.054 6.718 -5.788 1.00 0.00 N ATOM 449 CA LYS A 30 5.933 7.888 -5.433 1.00 0.00 C ATOM 450 C LYS A 30 6.617 7.605 -4.098 1.00 0.00 C ATOM 451 O LYS A 30 7.429 8.378 -3.628 1.00 0.00 O ATOM 452 CB LYS A 30 5.137 9.188 -5.291 1.00 0.00 C ATOM 453 CG LYS A 30 6.080 10.311 -4.846 1.00 0.00 C ATOM 454 CD LYS A 30 5.884 10.590 -3.352 1.00 0.00 C ATOM 455 CE LYS A 30 5.412 12.034 -3.163 1.00 0.00 C ATOM 456 NZ LYS A 30 5.250 12.323 -1.710 1.00 0.00 N ATOM 0 H LYS A 30 5.566 5.847 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 30 6.656 8.013 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.667 9.446 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.336 9.060 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.115 10.028 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.883 11.214 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.152 9.899 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.818 10.428 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.133 12.723 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.466 12.189 -3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.396 12.898 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.159 11.429 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.081 12.844 -1.365 1.00 0.00 H new ATOM 470 N ALA A 31 6.287 6.508 -3.475 1.00 0.00 N ATOM 471 CA ALA A 31 6.906 6.182 -2.163 1.00 0.00 C ATOM 472 C ALA A 31 8.379 5.843 -2.359 1.00 0.00 C ATOM 473 O ALA A 31 8.776 5.286 -3.362 1.00 0.00 O ATOM 474 CB ALA A 31 6.197 4.981 -1.539 1.00 0.00 C ATOM 0 H ALA A 31 5.614 5.823 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 31 6.812 7.045 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.655 4.747 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.143 5.217 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.286 4.121 -2.202 1.00 0.00 H new ATOM 480 N ASP A 32 9.186 6.176 -1.399 1.00 0.00 N ATOM 481 CA ASP A 32 10.627 5.887 -1.495 1.00 0.00 C ATOM 482 C ASP A 32 10.850 4.393 -1.307 1.00 0.00 C ATOM 483 O ASP A 32 11.598 3.768 -2.033 1.00 0.00 O ATOM 484 CB ASP A 32 11.347 6.644 -0.389 1.00 0.00 C ATOM 485 CG ASP A 32 12.756 7.014 -0.854 1.00 0.00 C ATOM 486 OD1 ASP A 32 13.381 6.188 -1.499 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.186 8.117 -0.561 1.00 0.00 O ATOM 0 H ASP A 32 8.898 6.644 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 32 11.009 6.193 -2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.791 7.545 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.399 6.031 0.511 1.00 0.00 H new ATOM 492 N LYS A 33 10.209 3.812 -0.331 1.00 0.00 N ATOM 493 CA LYS A 33 10.401 2.347 -0.104 1.00 0.00 C ATOM 494 C LYS A 33 9.213 1.761 0.657 1.00 0.00 C ATOM 495 O LYS A 33 8.402 2.473 1.215 1.00 0.00 O ATOM 496 CB LYS A 33 11.675 2.120 0.711 1.00 0.00 C ATOM 497 CG LYS A 33 11.504 2.738 2.099 1.00 0.00 C ATOM 498 CD LYS A 33 11.691 4.252 2.006 1.00 0.00 C ATOM 499 CE LYS A 33 12.013 4.815 3.389 1.00 0.00 C ATOM 500 NZ LYS A 33 11.292 6.106 3.573 1.00 0.00 N ATOM 0 H LYS A 33 9.569 4.278 0.312 1.00 0.00 H new ATOM 0 HA LYS A 33 10.481 1.853 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.879 1.053 0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.530 2.568 0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.515 2.506 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.231 2.312 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.496 4.487 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.786 4.717 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.716 4.106 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.087 4.967 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.910 6.892 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.433 6.111 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.029 6.217 4.573 1.00 0.00 H new ATOM 514 N GLY A 34 9.112 0.458 0.685 1.00 0.00 N ATOM 515 CA GLY A 34 7.986 -0.191 1.412 1.00 0.00 C ATOM 516 C GLY A 34 8.253 -1.689 1.537 1.00 0.00 C ATOM 517 O GLY A 34 8.930 -2.273 0.716 1.00 0.00 O ATOM 0 H GLY A 34 9.763 -0.185 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.875 0.253 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.050 -0.021 0.880 1.00 0.00 H new ATOM 521 N TYR A 35 7.714 -2.329 2.544 1.00 0.00 N ATOM 522 CA TYR A 35 7.934 -3.794 2.674 1.00 0.00 C ATOM 523 C TYR A 35 6.612 -4.500 2.518 1.00 0.00 C ATOM 524 O TYR A 35 5.565 -3.959 2.796 1.00 0.00 O ATOM 525 CB TYR A 35 8.520 -4.169 4.026 1.00 0.00 C ATOM 526 CG TYR A 35 7.852 -3.382 5.128 1.00 0.00 C ATOM 527 CD1 TYR A 35 6.495 -3.590 5.405 1.00 0.00 C ATOM 528 CD2 TYR A 35 8.587 -2.462 5.885 1.00 0.00 C ATOM 529 CE1 TYR A 35 5.872 -2.880 6.437 1.00 0.00 C ATOM 530 CE2 TYR A 35 7.963 -1.747 6.917 1.00 0.00 C ATOM 531 CZ TYR A 35 6.605 -1.959 7.194 1.00 0.00 C ATOM 532 OH TYR A 35 5.990 -1.264 8.215 1.00 0.00 O ATOM 0 H TYR A 35 7.139 -1.904 3.271 1.00 0.00 H new ATOM 0 HA TYR A 35 8.642 -4.093 1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.389 -5.237 4.202 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.593 -3.975 4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.928 -4.300 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.634 -2.303 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.826 -3.043 6.649 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.528 -1.033 7.498 1.00 0.00 H new ATOM 0 HH TYR A 35 6.639 -0.666 8.641 1.00 0.00 H new ATOM 542 N CYS A 36 6.652 -5.706 2.075 1.00 0.00 N ATOM 543 CA CYS A 36 5.386 -6.461 1.889 1.00 0.00 C ATOM 544 C CYS A 36 4.936 -7.017 3.237 1.00 0.00 C ATOM 545 O CYS A 36 5.437 -8.018 3.710 1.00 0.00 O ATOM 546 CB CYS A 36 5.609 -7.591 0.886 1.00 0.00 C ATOM 547 SG CYS A 36 4.079 -8.539 0.679 1.00 0.00 S ATOM 0 H CYS A 36 7.503 -6.212 1.830 1.00 0.00 H new ATOM 0 HA CYS A 36 4.609 -5.803 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.926 -7.181 -0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.409 -8.245 1.233 1.00 0.00 H new ATOM 552 N TYR A 37 3.999 -6.362 3.864 1.00 0.00 N ATOM 553 CA TYR A 37 3.517 -6.837 5.187 1.00 0.00 C ATOM 554 C TYR A 37 2.741 -8.140 4.999 1.00 0.00 C ATOM 555 O TYR A 37 1.570 -8.143 4.651 1.00 0.00 O ATOM 556 CB TYR A 37 2.623 -5.767 5.815 1.00 0.00 C ATOM 557 CG TYR A 37 2.404 -6.083 7.275 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.412 -5.808 8.206 1.00 0.00 C ATOM 559 CD2 TYR A 37 1.194 -6.646 7.701 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.211 -6.094 9.563 1.00 0.00 C ATOM 561 CE2 TYR A 37 0.993 -6.934 9.057 1.00 0.00 C ATOM 562 CZ TYR A 37 2.000 -6.658 9.988 1.00 0.00 C ATOM 563 OH TYR A 37 1.801 -6.943 11.325 1.00 0.00 O ATOM 0 H TYR A 37 3.547 -5.517 3.515 1.00 0.00 H new ATOM 0 HA TYR A 37 4.362 -7.020 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.085 -4.785 5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.667 -5.726 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.346 -5.375 7.878 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.415 -6.858 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.989 -5.880 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.060 -7.369 9.384 1.00 0.00 H new ATOM 0 HH TYR A 37 0.908 -7.329 11.448 1.00 0.00 H new ATOM 573 N TRP A 38 3.406 -9.245 5.218 1.00 0.00 N ATOM 574 CA TRP A 38 2.766 -10.579 5.055 1.00 0.00 C ATOM 575 C TRP A 38 1.579 -10.709 6.021 1.00 0.00 C ATOM 576 O TRP A 38 0.883 -9.746 6.282 1.00 0.00 O ATOM 577 CB TRP A 38 3.827 -11.654 5.332 1.00 0.00 C ATOM 578 CG TRP A 38 4.207 -12.309 4.044 1.00 0.00 C ATOM 579 CD1 TRP A 38 5.018 -11.760 3.109 1.00 0.00 C ATOM 580 CD2 TRP A 38 3.815 -13.617 3.529 1.00 0.00 C ATOM 581 NE1 TRP A 38 5.143 -12.642 2.053 1.00 0.00 N ATOM 582 CE2 TRP A 38 4.422 -13.801 2.263 1.00 0.00 C ATOM 583 CE3 TRP A 38 3.000 -14.650 4.028 1.00 0.00 C ATOM 584 CZ2 TRP A 38 4.229 -14.966 1.520 1.00 0.00 C ATOM 585 CZ3 TRP A 38 2.803 -15.825 3.282 1.00 0.00 C ATOM 586 CH2 TRP A 38 3.416 -15.981 2.031 1.00 0.00 C ATOM 0 H TRP A 38 4.383 -9.276 5.508 1.00 0.00 H new ATOM 0 HA TRP A 38 2.382 -10.702 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.704 -11.205 5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.438 -12.395 6.030 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.490 -10.791 3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.701 -12.459 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.523 -14.539 4.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 4.704 -15.082 0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.176 -16.612 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.260 -16.886 1.462 1.00 0.00 H new ATOM 642 N SER A 42 -1.070 -6.952 3.281 1.00 0.00 N ATOM 643 CA SER A 42 -0.812 -6.254 1.984 1.00 0.00 C ATOM 644 C SER A 42 0.594 -5.652 1.948 1.00 0.00 C ATOM 645 O SER A 42 1.445 -5.956 2.762 1.00 0.00 O ATOM 646 CB SER A 42 -1.822 -5.120 1.811 1.00 0.00 C ATOM 647 OG SER A 42 -3.029 -5.446 2.483 1.00 0.00 O ATOM 0 HA SER A 42 -0.906 -6.987 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.412 -4.192 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.018 -4.953 0.752 1.00 0.00 H new ATOM 0 HG SER A 42 -2.869 -6.190 3.100 1.00 0.00 H new ATOM 653 N CYS A 43 0.821 -4.775 1.003 1.00 0.00 N ATOM 654 CA CYS A 43 2.146 -4.102 0.879 1.00 0.00 C ATOM 655 C CYS A 43 2.137 -2.825 1.722 1.00 0.00 C ATOM 656 O CYS A 43 1.106 -2.230 1.950 1.00 0.00 O ATOM 657 CB CYS A 43 2.392 -3.727 -0.589 1.00 0.00 C ATOM 658 SG CYS A 43 3.907 -4.516 -1.187 1.00 0.00 S ATOM 0 H CYS A 43 0.134 -4.494 0.304 1.00 0.00 H new ATOM 0 HA CYS A 43 2.932 -4.774 1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.545 -4.040 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.473 -2.644 -0.687 1.00 0.00 H new ATOM 663 N TYR A 44 3.272 -2.384 2.173 1.00 0.00 N ATOM 664 CA TYR A 44 3.307 -1.132 2.982 1.00 0.00 C ATOM 665 C TYR A 44 4.346 -0.186 2.388 1.00 0.00 C ATOM 666 O TYR A 44 5.498 -0.540 2.230 1.00 0.00 O ATOM 667 CB TYR A 44 3.668 -1.450 4.433 1.00 0.00 C ATOM 668 CG TYR A 44 3.414 -0.224 5.281 1.00 0.00 C ATOM 669 CD1 TYR A 44 4.275 0.888 5.215 1.00 0.00 C ATOM 670 CD2 TYR A 44 2.304 -0.195 6.129 1.00 0.00 C ATOM 671 CE1 TYR A 44 4.015 2.017 5.999 1.00 0.00 C ATOM 672 CE2 TYR A 44 2.048 0.932 6.911 1.00 0.00 C ATOM 673 CZ TYR A 44 2.902 2.039 6.847 1.00 0.00 C ATOM 674 OH TYR A 44 2.645 3.155 7.618 1.00 0.00 O ATOM 0 H TYR A 44 4.176 -2.831 2.020 1.00 0.00 H new ATOM 0 HA TYR A 44 2.324 -0.662 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.073 -2.288 4.795 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.714 -1.748 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.134 0.869 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.642 -1.047 6.179 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.673 2.872 5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.190 0.950 7.566 1.00 0.00 H new ATOM 0 HH TYR A 44 1.835 3.006 8.149 1.00 0.00 H new ATOM 684 N CYS A 45 3.951 1.009 2.039 1.00 0.00 N ATOM 685 CA CYS A 45 4.931 1.950 1.435 1.00 0.00 C ATOM 686 C CYS A 45 5.405 2.977 2.450 1.00 0.00 C ATOM 687 O CYS A 45 4.981 3.014 3.588 1.00 0.00 O ATOM 688 CB CYS A 45 4.297 2.700 0.261 1.00 0.00 C ATOM 689 SG CYS A 45 4.177 1.616 -1.184 1.00 0.00 S ATOM 0 H CYS A 45 3.003 1.369 2.145 1.00 0.00 H new ATOM 0 HA CYS A 45 5.779 1.357 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.305 3.056 0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.894 3.579 0.017 1.00 0.00 H new ATOM 694 N TYR A 46 6.286 3.817 2.003 1.00 0.00 N ATOM 695 CA TYR A 46 6.845 4.888 2.857 1.00 0.00 C ATOM 696 C TYR A 46 7.186 6.062 1.943 1.00 0.00 C ATOM 697 O TYR A 46 8.191 6.041 1.252 1.00 0.00 O ATOM 698 CB TYR A 46 8.123 4.388 3.521 1.00 0.00 C ATOM 699 CG TYR A 46 7.798 3.421 4.636 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.558 2.073 4.354 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.765 3.872 5.957 1.00 0.00 C ATOM 702 CE1 TYR A 46 7.287 1.177 5.396 1.00 0.00 C ATOM 703 CE2 TYR A 46 7.489 2.983 6.998 1.00 0.00 C ATOM 704 CZ TYR A 46 7.253 1.635 6.719 1.00 0.00 C ATOM 705 OH TYR A 46 6.991 0.756 7.747 1.00 0.00 O ATOM 0 H TYR A 46 6.652 3.804 1.051 1.00 0.00 H new ATOM 0 HA TYR A 46 6.133 5.182 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.757 3.899 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.688 5.232 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.582 1.722 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.954 4.913 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.105 0.135 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.458 3.337 8.018 1.00 0.00 H new ATOM 0 HH TYR A 46 6.272 0.146 7.481 1.00 0.00 H new ATOM 715 N GLY A 47 6.350 7.067 1.915 1.00 0.00 N ATOM 716 CA GLY A 47 6.610 8.236 1.029 1.00 0.00 C ATOM 717 C GLY A 47 5.462 8.382 0.024 1.00 0.00 C ATOM 718 O GLY A 47 5.642 8.868 -1.076 1.00 0.00 O ATOM 0 H GLY A 47 5.496 7.127 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.703 9.144 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.554 8.103 0.501 1.00 0.00 H new ATOM 722 N LEU A 48 4.281 7.963 0.395 1.00 0.00 N ATOM 723 CA LEU A 48 3.117 8.076 -0.532 1.00 0.00 C ATOM 724 C LEU A 48 2.705 9.544 -0.663 1.00 0.00 C ATOM 725 O LEU A 48 2.987 10.344 0.208 1.00 0.00 O ATOM 726 CB LEU A 48 1.940 7.281 0.033 1.00 0.00 C ATOM 727 CG LEU A 48 2.239 5.786 -0.049 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.258 5.023 0.842 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.084 5.316 -1.498 1.00 0.00 C ATOM 0 H LEU A 48 4.072 7.546 1.302 1.00 0.00 H new ATOM 0 HA LEU A 48 3.397 7.683 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.759 7.569 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.033 7.511 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 48 3.258 5.598 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.470 3.955 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.365 5.360 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.239 5.209 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.297 4.249 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.064 5.502 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.781 5.862 -2.134 1.00 0.00 H new ATOM 741 N PRO A 49 2.047 9.856 -1.752 1.00 0.00 N ATOM 742 CA PRO A 49 1.584 11.227 -2.022 1.00 0.00 C ATOM 743 C PRO A 49 0.517 11.627 -0.997 1.00 0.00 C ATOM 744 O PRO A 49 -0.203 10.797 -0.480 1.00 0.00 O ATOM 745 CB PRO A 49 0.980 11.170 -3.430 1.00 0.00 C ATOM 746 CG PRO A 49 1.087 9.706 -3.929 1.00 0.00 C ATOM 747 CD PRO A 49 1.722 8.875 -2.803 1.00 0.00 C ATOM 0 HA PRO A 49 2.388 11.960 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.061 11.493 -3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.512 11.843 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.102 9.316 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.694 9.653 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.033 8.114 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.615 8.355 -3.150 1.00 0.00 H new ATOM 755 N ASP A 50 0.415 12.891 -0.698 1.00 0.00 N ATOM 756 CA ASP A 50 -0.590 13.350 0.289 1.00 0.00 C ATOM 757 C ASP A 50 -1.995 12.993 -0.182 1.00 0.00 C ATOM 758 O ASP A 50 -2.809 12.485 0.561 1.00 0.00 O ATOM 759 CB ASP A 50 -0.484 14.863 0.434 1.00 0.00 C ATOM 760 CG ASP A 50 0.208 15.210 1.754 1.00 0.00 C ATOM 761 OD1 ASP A 50 -0.284 14.786 2.787 1.00 0.00 O ATOM 762 OD2 ASP A 50 1.217 15.894 1.709 1.00 0.00 O ATOM 0 H ASP A 50 0.992 13.629 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.401 12.862 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.078 15.279 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.477 15.311 0.405 1.00 0.00 H new ATOM 767 N ASN A 51 -2.285 13.288 -1.407 1.00 0.00 N ATOM 768 CA ASN A 51 -3.630 13.013 -1.950 1.00 0.00 C ATOM 769 C ASN A 51 -3.869 11.506 -2.088 1.00 0.00 C ATOM 770 O ASN A 51 -4.947 11.078 -2.443 1.00 0.00 O ATOM 771 CB ASN A 51 -3.757 13.703 -3.311 1.00 0.00 C ATOM 772 CG ASN A 51 -3.217 12.812 -4.433 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.490 11.869 -4.193 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.545 13.088 -5.661 1.00 0.00 N ATOM 0 H ASN A 51 -1.635 13.716 -2.067 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.383 13.402 -1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.802 13.943 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.211 14.646 -3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.192 12.512 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.156 13.880 -5.860 1.00 0.00 H new ATOM 781 N SER A 52 -2.882 10.702 -1.812 1.00 0.00 N ATOM 782 CA SER A 52 -3.068 9.225 -1.929 1.00 0.00 C ATOM 783 C SER A 52 -3.813 8.710 -0.690 1.00 0.00 C ATOM 784 O SER A 52 -3.283 8.751 0.401 1.00 0.00 O ATOM 785 CB SER A 52 -1.699 8.548 -2.013 1.00 0.00 C ATOM 786 OG SER A 52 -1.610 7.819 -3.230 1.00 0.00 O ATOM 0 H SER A 52 -1.954 11.001 -1.511 1.00 0.00 H new ATOM 0 HA SER A 52 -3.645 8.997 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.907 9.295 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.558 7.879 -1.164 1.00 0.00 H new ATOM 0 HG SER A 52 -0.806 7.259 -3.218 1.00 0.00 H new ATOM 792 N PRO A 53 -5.022 8.239 -0.889 1.00 0.00 N ATOM 793 CA PRO A 53 -5.849 7.718 0.216 1.00 0.00 C ATOM 794 C PRO A 53 -5.300 6.375 0.714 1.00 0.00 C ATOM 795 O PRO A 53 -4.681 5.633 -0.021 1.00 0.00 O ATOM 796 CB PRO A 53 -7.238 7.512 -0.402 1.00 0.00 C ATOM 797 CG PRO A 53 -7.115 7.761 -1.927 1.00 0.00 C ATOM 798 CD PRO A 53 -5.668 8.193 -2.214 1.00 0.00 C ATOM 0 HA PRO A 53 -5.863 8.396 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.598 6.502 -0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.960 8.198 0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.362 6.857 -2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.815 8.533 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.167 7.485 -2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.635 9.166 -2.705 1.00 0.00 H new ATOM 806 N THR A 54 -5.535 6.057 1.957 1.00 0.00 N ATOM 807 CA THR A 54 -5.045 4.763 2.505 1.00 0.00 C ATOM 808 C THR A 54 -6.157 4.113 3.330 1.00 0.00 C ATOM 809 O THR A 54 -7.150 4.737 3.647 1.00 0.00 O ATOM 810 CB THR A 54 -3.828 5.015 3.389 1.00 0.00 C ATOM 811 OG1 THR A 54 -4.239 5.669 4.583 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.839 5.894 2.628 1.00 0.00 C ATOM 0 H THR A 54 -6.047 6.640 2.618 1.00 0.00 H new ATOM 0 HA THR A 54 -4.764 4.099 1.688 1.00 0.00 H new ATOM 0 HB THR A 54 -3.351 4.070 3.648 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.458 5.830 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.964 6.081 3.251 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.531 5.388 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.314 6.842 2.376 1.00 0.00 H new ATOM 820 N LYS A 55 -6.007 2.863 3.665 1.00 0.00 N ATOM 821 CA LYS A 55 -7.063 2.166 4.455 1.00 0.00 C ATOM 822 C LYS A 55 -7.600 3.093 5.550 1.00 0.00 C ATOM 823 O LYS A 55 -6.868 3.543 6.411 1.00 0.00 O ATOM 824 CB LYS A 55 -6.477 0.909 5.099 1.00 0.00 C ATOM 825 CG LYS A 55 -6.672 -0.284 4.161 1.00 0.00 C ATOM 826 CD LYS A 55 -8.155 -0.662 4.116 1.00 0.00 C ATOM 827 CE LYS A 55 -8.330 -1.942 3.297 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.763 -2.356 3.317 1.00 0.00 N ATOM 0 H LYS A 55 -5.197 2.291 3.426 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.879 1.890 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.416 1.054 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.964 0.717 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.319 -0.035 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.080 -1.132 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.535 -0.810 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.735 0.148 3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.003 -1.777 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.706 -2.736 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.826 -3.392 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.205 -2.036 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.259 -1.929 2.509 1.00 0.00 H new