USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 44 SER OG : rot -49:sc= 0.994 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.261 USER MOD Set 2.1: A 33 ASN : amide:sc= 0.00358 K(o=0.4,f=-8.2!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.392 K(o=0.4,f=-0.36) USER MOD Set 3.1: A 11 TYR OH : rot 22:sc= -3.79! USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 60:sc= 0.782 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 168:sc= 1.04 USER MOD Single : A 20 TYR OH : rot 130:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.511 K(o=-0.51,f=-1.8) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= -0.5 (180deg=-2.21!) USER MOD Single : A 30 THR OG1 : rot 17:sc= 1.59 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.842 K(o=-0.84,f=-2.5) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 49 THR OG1 : rot -0:sc= 0.187 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00548) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.016 17.819 3.965 1.00 0.00 N ATOM 2 CA LEU A 1 8.833 17.306 5.102 1.00 0.00 C ATOM 3 C LEU A 1 8.959 15.785 4.994 1.00 0.00 C ATOM 4 O LEU A 1 8.251 15.045 5.646 1.00 0.00 O ATOM 5 CB LEU A 1 8.152 17.666 6.424 1.00 0.00 C ATOM 6 CG LEU A 1 9.071 18.575 7.241 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.371 17.833 7.561 1.00 0.00 C ATOM 8 CD2 LEU A 1 9.392 19.835 6.435 1.00 0.00 C ATOM 0 H1 LEU A 1 7.930 18.853 4.038 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.478 17.573 3.066 1.00 0.00 H new ATOM 0 H3 LEU A 1 7.069 17.390 3.996 1.00 0.00 H new ATOM 0 HA LEU A 1 9.824 17.758 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 1 7.204 18.168 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 1 7.925 16.760 6.987 1.00 0.00 H new ATOM 0 HG LEU A 1 8.572 18.853 8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.026 18.481 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.145 16.935 8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.869 17.554 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.047 20.483 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.890 19.556 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 1 8.468 20.365 6.206 1.00 0.00 H new ATOM 22 N ALA A 2 9.858 15.312 4.173 1.00 0.00 N ATOM 23 CA ALA A 2 10.030 13.840 4.025 1.00 0.00 C ATOM 24 C ALA A 2 8.851 13.266 3.236 1.00 0.00 C ATOM 25 O ALA A 2 7.716 13.332 3.664 1.00 0.00 O ATOM 26 CB ALA A 2 10.081 13.188 5.409 1.00 0.00 C ATOM 0 H ALA A 2 10.480 15.882 3.599 1.00 0.00 H new ATOM 0 HA ALA A 2 10.959 13.636 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.207 12.111 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.920 13.596 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.152 13.392 5.942 1.00 0.00 H new ATOM 32 N ALA A 3 9.111 12.700 2.089 1.00 0.00 N ATOM 33 CA ALA A 3 8.003 12.121 1.281 1.00 0.00 C ATOM 34 C ALA A 3 7.220 11.123 2.138 1.00 0.00 C ATOM 35 O ALA A 3 7.642 10.753 3.215 1.00 0.00 O ATOM 36 CB ALA A 3 8.582 11.399 0.063 1.00 0.00 C ATOM 0 H ALA A 3 10.041 12.614 1.678 1.00 0.00 H new ATOM 0 HA ALA A 3 7.339 12.919 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.770 10.975 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.144 12.107 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.245 10.600 0.395 1.00 0.00 H new ATOM 42 N VAL A 4 6.086 10.684 1.668 1.00 0.00 N ATOM 43 CA VAL A 4 5.281 9.709 2.455 1.00 0.00 C ATOM 44 C VAL A 4 4.372 8.921 1.511 1.00 0.00 C ATOM 45 O VAL A 4 3.212 9.239 1.339 1.00 0.00 O ATOM 46 CB VAL A 4 4.426 10.460 3.478 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.324 11.001 4.593 1.00 0.00 C ATOM 48 CG2 VAL A 4 3.712 11.624 2.789 1.00 0.00 C ATOM 0 H VAL A 4 5.682 10.958 0.773 1.00 0.00 H new ATOM 0 HA VAL A 4 5.949 9.022 2.975 1.00 0.00 H new ATOM 0 HB VAL A 4 3.687 9.781 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.716 11.536 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.834 10.172 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.063 11.681 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.103 12.159 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.451 12.304 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.073 11.240 1.994 1.00 0.00 H new ATOM 58 N SER A 5 4.892 7.895 0.895 1.00 0.00 N ATOM 59 CA SER A 5 4.061 7.087 -0.040 1.00 0.00 C ATOM 60 C SER A 5 4.915 5.982 -0.662 1.00 0.00 C ATOM 61 O SER A 5 6.101 6.147 -0.877 1.00 0.00 O ATOM 62 CB SER A 5 3.518 7.991 -1.147 1.00 0.00 C ATOM 63 OG SER A 5 2.140 8.243 -0.914 1.00 0.00 O ATOM 0 H SER A 5 5.857 7.582 0.999 1.00 0.00 H new ATOM 0 HA SER A 5 3.232 6.639 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.072 8.929 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.653 7.516 -2.119 1.00 0.00 H new ATOM 0 HG SER A 5 2.030 8.679 -0.043 1.00 0.00 H new ATOM 69 N VAL A 6 4.324 4.857 -0.956 1.00 0.00 N ATOM 70 CA VAL A 6 5.102 3.744 -1.566 1.00 0.00 C ATOM 71 C VAL A 6 4.873 3.739 -3.080 1.00 0.00 C ATOM 72 O VAL A 6 3.870 4.219 -3.568 1.00 0.00 O ATOM 73 CB VAL A 6 4.638 2.410 -0.975 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.186 1.257 -1.816 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.155 2.279 0.461 1.00 0.00 C ATOM 0 H VAL A 6 3.335 4.661 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 6 6.163 3.882 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 6 3.549 2.376 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.854 0.309 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.820 1.346 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.275 1.293 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.824 1.329 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.244 2.316 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.765 3.098 1.064 1.00 0.00 H new ATOM 85 N ASP A 7 5.795 3.195 -3.824 1.00 0.00 N ATOM 86 CA ASP A 7 5.628 3.153 -5.304 1.00 0.00 C ATOM 87 C ASP A 7 4.960 1.834 -5.696 1.00 0.00 C ATOM 88 O ASP A 7 5.388 0.771 -5.296 1.00 0.00 O ATOM 89 CB ASP A 7 7.001 3.247 -5.974 1.00 0.00 C ATOM 90 CG ASP A 7 6.848 3.031 -7.481 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.786 3.336 -7.999 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.796 2.565 -8.091 1.00 0.00 O ATOM 0 H ASP A 7 6.657 2.778 -3.472 1.00 0.00 H new ATOM 0 HA ASP A 7 5.009 3.989 -5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.447 4.222 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.674 2.499 -5.555 1.00 0.00 H new ATOM 97 N CYS A 8 3.910 1.890 -6.469 1.00 0.00 N ATOM 98 CA CYS A 8 3.222 0.632 -6.871 1.00 0.00 C ATOM 99 C CYS A 8 3.173 0.532 -8.397 1.00 0.00 C ATOM 100 O CYS A 8 2.114 0.531 -8.994 1.00 0.00 O ATOM 101 CB CYS A 8 1.799 0.635 -6.312 1.00 0.00 C ATOM 102 SG CYS A 8 1.838 1.090 -4.560 1.00 0.00 S ATOM 0 H CYS A 8 3.501 2.748 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 8 3.770 -0.223 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.180 1.340 -6.868 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.348 -0.350 -6.433 1.00 0.00 H new ATOM 107 N SER A 9 4.308 0.445 -9.036 1.00 0.00 N ATOM 108 CA SER A 9 4.320 0.340 -10.523 1.00 0.00 C ATOM 109 C SER A 9 4.288 -1.133 -10.926 1.00 0.00 C ATOM 110 O SER A 9 3.943 -1.480 -12.038 1.00 0.00 O ATOM 111 CB SER A 9 5.584 0.998 -11.076 1.00 0.00 C ATOM 112 OG SER A 9 5.348 1.417 -12.414 1.00 0.00 O ATOM 0 H SER A 9 5.227 0.442 -8.593 1.00 0.00 H new ATOM 0 HA SER A 9 3.446 0.848 -10.930 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.863 1.852 -10.459 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.417 0.296 -11.044 1.00 0.00 H new ATOM 0 HG SER A 9 6.156 1.841 -12.771 1.00 0.00 H new ATOM 118 N GLU A 10 4.645 -2.004 -10.025 1.00 0.00 N ATOM 119 CA GLU A 10 4.637 -3.460 -10.342 1.00 0.00 C ATOM 120 C GLU A 10 3.338 -4.077 -9.825 1.00 0.00 C ATOM 121 O GLU A 10 3.272 -5.251 -9.517 1.00 0.00 O ATOM 122 CB GLU A 10 5.828 -4.136 -9.661 1.00 0.00 C ATOM 123 CG GLU A 10 7.012 -3.169 -9.618 1.00 0.00 C ATOM 124 CD GLU A 10 7.203 -2.529 -10.993 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.901 -3.184 -11.977 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.646 -1.394 -11.039 1.00 0.00 O ATOM 0 H GLU A 10 4.943 -1.770 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 10 4.708 -3.602 -11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.557 -4.440 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.104 -5.041 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.837 -2.398 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.917 -3.700 -9.324 1.00 0.00 H new ATOM 133 N TYR A 11 2.308 -3.288 -9.719 1.00 0.00 N ATOM 134 CA TYR A 11 1.016 -3.797 -9.219 1.00 0.00 C ATOM 135 C TYR A 11 -0.017 -3.716 -10.352 1.00 0.00 C ATOM 136 O TYR A 11 0.192 -3.026 -11.330 1.00 0.00 O ATOM 137 CB TYR A 11 0.603 -2.935 -8.023 1.00 0.00 C ATOM 138 CG TYR A 11 1.468 -3.311 -6.841 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.127 -4.404 -6.032 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.624 -2.572 -6.565 1.00 0.00 C ATOM 141 CE1 TYR A 11 1.943 -4.756 -4.948 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.438 -2.922 -5.480 1.00 0.00 C ATOM 143 CZ TYR A 11 3.096 -4.013 -4.673 1.00 0.00 C ATOM 144 OH TYR A 11 3.900 -4.359 -3.607 1.00 0.00 O ATOM 0 H TYR A 11 2.313 -2.298 -9.963 1.00 0.00 H new ATOM 0 HA TYR A 11 1.089 -4.836 -8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.722 -1.878 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.450 -3.092 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.235 -4.975 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.889 -1.731 -7.189 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.682 -5.599 -4.326 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.329 -2.350 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 11 3.747 -5.298 -3.373 1.00 0.00 H new ATOM 154 N PRO A 12 -1.085 -4.449 -10.196 1.00 0.00 N ATOM 155 CA PRO A 12 -1.322 -5.276 -9.008 1.00 0.00 C ATOM 156 C PRO A 12 -0.657 -6.649 -9.162 1.00 0.00 C ATOM 157 O PRO A 12 -0.414 -7.113 -10.258 1.00 0.00 O ATOM 158 CB PRO A 12 -2.850 -5.400 -8.971 1.00 0.00 C ATOM 159 CG PRO A 12 -3.350 -5.133 -10.417 1.00 0.00 C ATOM 160 CD PRO A 12 -2.162 -4.533 -11.198 1.00 0.00 C ATOM 0 HA PRO A 12 -0.908 -4.850 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.151 -6.392 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.281 -4.682 -8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.692 -6.057 -10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.196 -4.446 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.877 -5.165 -12.039 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.406 -3.552 -11.605 1.00 0.00 H new ATOM 168 N LYS A 13 -0.359 -7.299 -8.068 1.00 0.00 N ATOM 169 CA LYS A 13 0.291 -8.640 -8.146 1.00 0.00 C ATOM 170 C LYS A 13 -0.631 -9.686 -7.503 1.00 0.00 C ATOM 171 O LYS A 13 -1.249 -9.420 -6.490 1.00 0.00 O ATOM 172 CB LYS A 13 1.626 -8.605 -7.398 1.00 0.00 C ATOM 173 CG LYS A 13 2.242 -7.208 -7.505 1.00 0.00 C ATOM 174 CD LYS A 13 3.614 -7.202 -6.824 1.00 0.00 C ATOM 175 CE LYS A 13 4.520 -8.243 -7.486 1.00 0.00 C ATOM 176 NZ LYS A 13 5.880 -8.177 -6.879 1.00 0.00 N ATOM 0 H LYS A 13 -0.538 -6.959 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 13 0.469 -8.901 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.474 -8.866 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.307 -9.346 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.343 -6.922 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.588 -6.473 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.064 -6.212 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.505 -7.422 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.100 -9.241 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.580 -8.059 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.496 -8.884 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.279 -7.228 -7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.815 -8.373 -5.860 1.00 0.00 H new ATOM 190 N PRO A 14 -0.700 -10.847 -8.113 1.00 0.00 N ATOM 191 CA PRO A 14 -1.547 -11.955 -7.625 1.00 0.00 C ATOM 192 C PRO A 14 -0.863 -12.693 -6.471 1.00 0.00 C ATOM 193 O PRO A 14 -1.257 -13.777 -6.088 1.00 0.00 O ATOM 194 CB PRO A 14 -1.686 -12.863 -8.849 1.00 0.00 C ATOM 195 CG PRO A 14 -0.483 -12.543 -9.769 1.00 0.00 C ATOM 196 CD PRO A 14 0.042 -11.160 -9.354 1.00 0.00 C ATOM 0 HA PRO A 14 -2.508 -11.618 -7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.683 -13.913 -8.556 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.629 -12.679 -9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.295 -13.299 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.787 -12.542 -10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.118 -11.178 -9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.144 -10.415 -10.128 1.00 0.00 H new ATOM 204 N ALA A 15 0.153 -12.106 -5.915 1.00 0.00 N ATOM 205 CA ALA A 15 0.872 -12.751 -4.783 1.00 0.00 C ATOM 206 C ALA A 15 1.531 -11.663 -3.934 1.00 0.00 C ATOM 207 O ALA A 15 2.348 -10.900 -4.413 1.00 0.00 O ATOM 208 CB ALA A 15 1.941 -13.698 -5.328 1.00 0.00 C ATOM 0 H ALA A 15 0.522 -11.198 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 15 0.170 -13.321 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.467 -14.170 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.469 -14.465 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.651 -13.135 -5.934 1.00 0.00 H new ATOM 214 N CYS A 16 1.175 -11.571 -2.683 1.00 0.00 N ATOM 215 CA CYS A 16 1.773 -10.518 -1.816 1.00 0.00 C ATOM 216 C CYS A 16 2.867 -11.115 -0.938 1.00 0.00 C ATOM 217 O CYS A 16 2.733 -12.200 -0.406 1.00 0.00 O ATOM 218 CB CYS A 16 0.683 -9.914 -0.931 1.00 0.00 C ATOM 219 SG CYS A 16 -0.506 -9.044 -1.976 1.00 0.00 S ATOM 0 H CYS A 16 0.497 -12.179 -2.224 1.00 0.00 H new ATOM 0 HA CYS A 16 2.210 -9.744 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.182 -10.698 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.123 -9.227 -0.208 1.00 0.00 H new ATOM 224 N THR A 17 3.948 -10.405 -0.773 1.00 0.00 N ATOM 225 CA THR A 17 5.051 -10.921 0.082 1.00 0.00 C ATOM 226 C THR A 17 4.535 -11.049 1.513 1.00 0.00 C ATOM 227 O THR A 17 3.358 -10.897 1.770 1.00 0.00 O ATOM 228 CB THR A 17 6.233 -9.950 0.042 1.00 0.00 C ATOM 229 OG1 THR A 17 5.754 -8.630 -0.181 1.00 0.00 O ATOM 230 CG2 THR A 17 7.185 -10.348 -1.087 1.00 0.00 C ATOM 0 H THR A 17 4.115 -9.491 -1.193 1.00 0.00 H new ATOM 0 HA THR A 17 5.383 -11.893 -0.283 1.00 0.00 H new ATOM 0 HB THR A 17 6.766 -9.987 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.474 -7.987 -0.009 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.026 -9.656 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.553 -11.359 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.655 -10.313 -2.039 1.00 0.00 H new ATOM 238 N LEU A 18 5.392 -11.336 2.450 1.00 0.00 N ATOM 239 CA LEU A 18 4.917 -11.478 3.845 1.00 0.00 C ATOM 240 C LEU A 18 5.545 -10.402 4.734 1.00 0.00 C ATOM 241 O LEU A 18 5.096 -10.164 5.838 1.00 0.00 O ATOM 242 CB LEU A 18 5.261 -12.875 4.387 1.00 0.00 C ATOM 243 CG LEU A 18 6.508 -13.471 3.703 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.219 -13.785 2.233 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.694 -12.506 3.811 1.00 0.00 C ATOM 0 H LEU A 18 6.392 -11.477 2.309 1.00 0.00 H new ATOM 0 HA LEU A 18 3.834 -11.354 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.432 -12.815 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.412 -13.541 4.236 1.00 0.00 H new ATOM 0 HG LEU A 18 6.764 -14.399 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.111 -14.205 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.403 -14.505 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.936 -12.869 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.565 -12.944 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.441 -11.563 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.920 -12.324 4.862 1.00 0.00 H new ATOM 257 N GLU A 19 6.568 -9.737 4.268 1.00 0.00 N ATOM 258 CA GLU A 19 7.188 -8.679 5.102 1.00 0.00 C ATOM 259 C GLU A 19 6.072 -7.776 5.612 1.00 0.00 C ATOM 260 O GLU A 19 5.313 -7.209 4.853 1.00 0.00 O ATOM 261 CB GLU A 19 8.192 -7.871 4.275 1.00 0.00 C ATOM 262 CG GLU A 19 7.482 -7.203 3.098 1.00 0.00 C ATOM 263 CD GLU A 19 8.049 -7.744 1.785 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.712 -8.767 1.826 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.811 -7.125 0.761 1.00 0.00 O ATOM 0 H GLU A 19 6.995 -9.882 3.353 1.00 0.00 H new ATOM 0 HA GLU A 19 7.728 -9.123 5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.666 -7.115 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.984 -8.525 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.410 -7.395 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.615 -6.122 3.146 1.00 0.00 H new ATOM 272 N TYR A 20 5.943 -7.669 6.894 1.00 0.00 N ATOM 273 CA TYR A 20 4.848 -6.833 7.453 1.00 0.00 C ATOM 274 C TYR A 20 5.216 -5.358 7.411 1.00 0.00 C ATOM 275 O TYR A 20 6.241 -4.928 7.900 1.00 0.00 O ATOM 276 CB TYR A 20 4.548 -7.244 8.887 1.00 0.00 C ATOM 277 CG TYR A 20 3.205 -6.686 9.298 1.00 0.00 C ATOM 278 CD1 TYR A 20 2.104 -6.807 8.438 1.00 0.00 C ATOM 279 CD2 TYR A 20 3.057 -6.049 10.536 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.859 -6.292 8.816 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.811 -5.534 10.915 1.00 0.00 C ATOM 282 CZ TYR A 20 0.712 -5.655 10.054 1.00 0.00 C ATOM 283 OH TYR A 20 -0.516 -5.148 10.428 1.00 0.00 O ATOM 0 H TYR A 20 6.544 -8.121 7.583 1.00 0.00 H new ATOM 0 HA TYR A 20 3.960 -6.989 6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.544 -8.331 8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.327 -6.874 9.554 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.217 -7.298 7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.904 -5.955 11.199 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.012 -6.386 8.153 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.697 -5.044 11.871 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.739 -5.462 11.329 1.00 0.00 H new ATOM 293 N ARG A 21 4.351 -4.595 6.829 1.00 0.00 N ATOM 294 CA ARG A 21 4.554 -3.124 6.715 1.00 0.00 C ATOM 295 C ARG A 21 3.192 -2.504 6.409 1.00 0.00 C ATOM 296 O ARG A 21 2.883 -2.221 5.271 1.00 0.00 O ATOM 297 CB ARG A 21 5.539 -2.807 5.579 1.00 0.00 C ATOM 298 CG ARG A 21 5.682 -4.019 4.653 1.00 0.00 C ATOM 299 CD ARG A 21 6.435 -3.611 3.384 1.00 0.00 C ATOM 300 NE ARG A 21 7.871 -3.386 3.709 1.00 0.00 N ATOM 301 CZ ARG A 21 8.378 -2.186 3.635 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.046 -1.397 2.650 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.216 -1.775 4.546 1.00 0.00 N ATOM 0 H ARG A 21 3.483 -4.933 6.413 1.00 0.00 H new ATOM 0 HA ARG A 21 4.968 -2.722 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.187 -1.946 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.511 -2.540 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.218 -4.819 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.698 -4.409 4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.340 -4.389 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.999 -2.704 2.966 1.00 0.00 H new ATOM 0 HE ARG A 21 8.459 -4.171 3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.390 -1.718 1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.442 -0.459 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.475 -2.392 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.612 -0.837 4.488 1.00 0.00 H new ATOM 317 N PRO A 22 2.402 -2.344 7.435 1.00 0.00 N ATOM 318 CA PRO A 22 1.035 -1.813 7.300 1.00 0.00 C ATOM 319 C PRO A 22 1.026 -0.366 6.834 1.00 0.00 C ATOM 320 O PRO A 22 1.553 0.503 7.487 1.00 0.00 O ATOM 321 CB PRO A 22 0.445 -1.955 8.711 1.00 0.00 C ATOM 322 CG PRO A 22 1.650 -2.073 9.670 1.00 0.00 C ATOM 323 CD PRO A 22 2.808 -2.632 8.827 1.00 0.00 C ATOM 0 HA PRO A 22 0.458 -2.348 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.171 -1.092 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.195 -2.835 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.908 -1.102 10.093 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.421 -2.734 10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.753 -2.150 9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.943 -3.701 8.991 1.00 0.00 H new ATOM 331 N LEU A 23 0.427 -0.092 5.704 1.00 0.00 N ATOM 332 CA LEU A 23 0.382 1.307 5.229 1.00 0.00 C ATOM 333 C LEU A 23 -1.064 1.791 5.325 1.00 0.00 C ATOM 334 O LEU A 23 -1.965 1.188 4.771 1.00 0.00 O ATOM 335 CB LEU A 23 0.873 1.358 3.788 1.00 0.00 C ATOM 336 CG LEU A 23 2.097 0.454 3.647 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.040 -0.263 2.307 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.366 1.298 3.726 1.00 0.00 C ATOM 0 H LEU A 23 -0.027 -0.776 5.099 1.00 0.00 H new ATOM 0 HA LEU A 23 1.022 1.949 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.084 1.032 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.127 2.382 3.513 1.00 0.00 H new ATOM 0 HG LEU A 23 2.105 -0.281 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.912 -0.909 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.133 -0.866 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.034 0.471 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.239 0.653 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.364 2.034 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.403 1.811 4.687 1.00 0.00 H new ATOM 350 N CYS A 24 -1.301 2.859 6.039 1.00 0.00 N ATOM 351 CA CYS A 24 -2.703 3.357 6.175 1.00 0.00 C ATOM 352 C CYS A 24 -3.082 4.128 4.918 1.00 0.00 C ATOM 353 O CYS A 24 -2.386 5.031 4.505 1.00 0.00 O ATOM 354 CB CYS A 24 -2.825 4.299 7.375 1.00 0.00 C ATOM 355 SG CYS A 24 -4.572 4.670 7.682 1.00 0.00 S ATOM 0 H CYS A 24 -0.593 3.404 6.530 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.364 2.502 6.319 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.380 3.839 8.258 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.275 5.221 7.184 1.00 0.00 H new ATOM 360 N GLY A 25 -4.181 3.791 4.307 1.00 0.00 N ATOM 361 CA GLY A 25 -4.587 4.523 3.081 1.00 0.00 C ATOM 362 C GLY A 25 -5.117 5.905 3.473 1.00 0.00 C ATOM 363 O GLY A 25 -5.059 6.289 4.625 1.00 0.00 O ATOM 0 H GLY A 25 -4.811 3.045 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.738 4.624 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.355 3.964 2.546 1.00 0.00 H new ATOM 367 N SER A 26 -5.651 6.658 2.543 1.00 0.00 N ATOM 368 CA SER A 26 -6.191 8.003 2.922 1.00 0.00 C ATOM 369 C SER A 26 -7.534 7.816 3.632 1.00 0.00 C ATOM 370 O SER A 26 -7.888 8.561 4.524 1.00 0.00 O ATOM 371 CB SER A 26 -6.399 8.871 1.679 1.00 0.00 C ATOM 372 OG SER A 26 -7.300 9.926 1.989 1.00 0.00 O ATOM 0 H SER A 26 -5.736 6.408 1.558 1.00 0.00 H new ATOM 0 HA SER A 26 -5.477 8.498 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.446 9.278 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.794 8.268 0.862 1.00 0.00 H new ATOM 0 HG SER A 26 -7.434 10.485 1.195 1.00 0.00 H new ATOM 378 N ASP A 27 -8.282 6.820 3.240 1.00 0.00 N ATOM 379 CA ASP A 27 -9.606 6.572 3.888 1.00 0.00 C ATOM 380 C ASP A 27 -9.402 6.259 5.373 1.00 0.00 C ATOM 381 O ASP A 27 -10.343 6.249 6.140 1.00 0.00 O ATOM 382 CB ASP A 27 -10.317 5.394 3.210 1.00 0.00 C ATOM 383 CG ASP A 27 -9.287 4.388 2.696 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.225 4.302 3.291 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.575 3.726 1.712 1.00 0.00 O ATOM 0 H ASP A 27 -8.034 6.165 2.498 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.221 7.466 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.990 4.909 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.929 5.755 2.383 1.00 0.00 H new ATOM 390 N ASN A 28 -8.176 6.014 5.774 1.00 0.00 N ATOM 391 CA ASN A 28 -7.868 5.714 7.209 1.00 0.00 C ATOM 392 C ASN A 28 -7.898 4.207 7.474 1.00 0.00 C ATOM 393 O ASN A 28 -8.014 3.778 8.606 1.00 0.00 O ATOM 394 CB ASN A 28 -8.868 6.414 8.133 1.00 0.00 C ATOM 395 CG ASN A 28 -8.309 6.451 9.556 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.148 6.743 9.758 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.094 6.163 10.558 1.00 0.00 N ATOM 0 H ASN A 28 -7.364 6.009 5.157 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.865 6.088 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.058 7.427 7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.822 5.887 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.732 6.183 11.511 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.069 5.918 10.388 1.00 0.00 H new ATOM 404 N LYS A 29 -7.762 3.395 6.463 1.00 0.00 N ATOM 405 CA LYS A 29 -7.749 1.923 6.708 1.00 0.00 C ATOM 406 C LYS A 29 -6.299 1.458 6.706 1.00 0.00 C ATOM 407 O LYS A 29 -5.399 2.223 6.440 1.00 0.00 O ATOM 408 CB LYS A 29 -8.523 1.161 5.623 1.00 0.00 C ATOM 409 CG LYS A 29 -8.834 2.078 4.448 1.00 0.00 C ATOM 410 CD LYS A 29 -9.727 1.334 3.452 1.00 0.00 C ATOM 411 CE LYS A 29 -11.180 1.394 3.927 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.490 0.174 4.724 1.00 0.00 N ATOM 0 H LYS A 29 -7.660 3.680 5.489 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.231 1.720 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.937 0.308 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.450 0.765 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.333 2.981 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.910 2.393 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.638 1.782 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.405 0.297 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.340 2.287 4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.852 1.463 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.267 -0.348 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.647 -0.433 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.772 0.450 5.686 1.00 0.00 H new ATOM 426 N THR A 30 -6.063 0.218 7.001 1.00 0.00 N ATOM 427 CA THR A 30 -4.656 -0.279 7.017 1.00 0.00 C ATOM 428 C THR A 30 -4.492 -1.410 6.000 1.00 0.00 C ATOM 429 O THR A 30 -5.402 -2.180 5.758 1.00 0.00 O ATOM 430 CB THR A 30 -4.317 -0.803 8.416 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.194 0.293 9.308 1.00 0.00 O ATOM 432 CG2 THR A 30 -2.996 -1.582 8.379 1.00 0.00 C ATOM 0 H THR A 30 -6.775 -0.475 7.232 1.00 0.00 H new ATOM 0 HA THR A 30 -3.984 0.539 6.757 1.00 0.00 H new ATOM 0 HB THR A 30 -5.112 -1.467 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.607 1.087 8.909 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.763 -1.951 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.090 -2.425 7.694 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.196 -0.925 8.039 1.00 0.00 H new ATOM 440 N TYR A 31 -3.331 -1.528 5.422 1.00 0.00 N ATOM 441 CA TYR A 31 -3.088 -2.618 4.443 1.00 0.00 C ATOM 442 C TYR A 31 -1.932 -3.469 4.962 1.00 0.00 C ATOM 443 O TYR A 31 -0.855 -2.972 5.198 1.00 0.00 O ATOM 444 CB TYR A 31 -2.755 -2.036 3.062 1.00 0.00 C ATOM 445 CG TYR A 31 -4.026 -1.529 2.426 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.574 -0.310 2.843 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.663 -2.277 1.428 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.757 0.162 2.263 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.846 -1.805 0.846 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.393 -0.586 1.264 1.00 0.00 C ATOM 451 OH TYR A 31 -7.560 -0.120 0.693 1.00 0.00 O ATOM 0 H TYR A 31 -2.536 -0.911 5.588 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.983 -3.231 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.033 -1.226 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.296 -2.798 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.083 0.267 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.242 -3.218 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.179 1.102 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.336 -2.381 0.075 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.871 -0.758 0.017 1.00 0.00 H new ATOM 461 N GLY A 32 -2.173 -4.741 5.177 1.00 0.00 N ATOM 462 CA GLY A 32 -1.119 -5.646 5.732 1.00 0.00 C ATOM 463 C GLY A 32 0.282 -5.197 5.315 1.00 0.00 C ATOM 464 O GLY A 32 1.159 -5.044 6.143 1.00 0.00 O ATOM 0 H GLY A 32 -3.067 -5.195 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.188 -5.663 6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.294 -6.665 5.386 1.00 0.00 H new ATOM 468 N ASN A 33 0.513 -4.976 4.051 1.00 0.00 N ATOM 469 CA ASN A 33 1.870 -4.533 3.632 1.00 0.00 C ATOM 470 C ASN A 33 1.786 -3.722 2.347 1.00 0.00 C ATOM 471 O ASN A 33 0.732 -3.273 1.946 1.00 0.00 O ATOM 472 CB ASN A 33 2.791 -5.739 3.433 1.00 0.00 C ATOM 473 CG ASN A 33 2.251 -6.652 2.335 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.188 -6.416 1.794 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.951 -7.695 1.982 1.00 0.00 N ATOM 0 H ASN A 33 -0.169 -5.081 3.300 1.00 0.00 H new ATOM 0 HA ASN A 33 2.286 -3.904 4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.793 -5.399 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.877 -6.295 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.607 -8.316 1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.842 -7.889 2.438 1.00 0.00 H new ATOM 482 N LYS A 34 2.902 -3.502 1.719 1.00 0.00 N ATOM 483 CA LYS A 34 2.912 -2.688 0.478 1.00 0.00 C ATOM 484 C LYS A 34 2.172 -3.395 -0.656 1.00 0.00 C ATOM 485 O LYS A 34 1.721 -2.762 -1.587 1.00 0.00 O ATOM 486 CB LYS A 34 4.356 -2.423 0.064 1.00 0.00 C ATOM 487 CG LYS A 34 5.071 -3.753 -0.178 1.00 0.00 C ATOM 488 CD LYS A 34 5.737 -3.720 -1.554 1.00 0.00 C ATOM 489 CE LYS A 34 6.060 -5.146 -2.000 1.00 0.00 C ATOM 490 NZ LYS A 34 6.937 -5.103 -3.206 1.00 0.00 N ATOM 0 H LYS A 34 3.813 -3.853 2.014 1.00 0.00 H new ATOM 0 HA LYS A 34 2.400 -1.747 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.380 -1.815 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.870 -1.858 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.818 -3.925 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.360 -4.577 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.077 -3.242 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.649 -3.125 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.557 -5.687 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.140 -5.685 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.157 -6.073 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.446 -4.602 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.820 -4.604 -2.976 1.00 0.00 H new ATOM 504 N CYS A 35 2.034 -4.686 -0.605 1.00 0.00 N ATOM 505 CA CYS A 35 1.310 -5.374 -1.696 1.00 0.00 C ATOM 506 C CYS A 35 -0.179 -5.102 -1.546 1.00 0.00 C ATOM 507 O CYS A 35 -0.848 -4.708 -2.477 1.00 0.00 O ATOM 508 CB CYS A 35 1.547 -6.876 -1.614 1.00 0.00 C ATOM 509 SG CYS A 35 0.636 -7.692 -2.946 1.00 0.00 S ATOM 0 H CYS A 35 2.388 -5.288 0.138 1.00 0.00 H new ATOM 0 HA CYS A 35 1.670 -5.005 -2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.612 -7.094 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.219 -7.256 -0.646 1.00 0.00 H new ATOM 514 N ASN A 36 -0.700 -5.319 -0.375 1.00 0.00 N ATOM 515 CA ASN A 36 -2.150 -5.076 -0.149 1.00 0.00 C ATOM 516 C ASN A 36 -2.459 -3.590 -0.359 1.00 0.00 C ATOM 517 O ASN A 36 -3.485 -3.232 -0.901 1.00 0.00 O ATOM 518 CB ASN A 36 -2.525 -5.478 1.280 1.00 0.00 C ATOM 519 CG ASN A 36 -2.656 -7.000 1.363 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.738 -7.536 1.236 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.590 -7.721 1.573 1.00 0.00 N ATOM 0 H ASN A 36 -0.184 -5.655 0.438 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.729 -5.672 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.765 -5.129 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.464 -5.005 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.664 -8.737 1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.682 -7.269 1.679 1.00 0.00 H new ATOM 528 N PHE A 37 -1.579 -2.721 0.065 1.00 0.00 N ATOM 529 CA PHE A 37 -1.833 -1.262 -0.114 1.00 0.00 C ATOM 530 C PHE A 37 -1.760 -0.909 -1.587 1.00 0.00 C ATOM 531 O PHE A 37 -2.603 -0.227 -2.135 1.00 0.00 O ATOM 532 CB PHE A 37 -0.779 -0.442 0.638 1.00 0.00 C ATOM 533 CG PHE A 37 -1.134 0.997 0.502 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.339 1.489 0.982 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.248 1.824 -0.167 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.662 2.836 0.793 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.555 3.173 -0.358 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.767 3.682 0.125 1.00 0.00 C ATOM 0 H PHE A 37 -0.700 -2.957 0.525 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.823 -1.032 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.750 -0.730 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.214 -0.630 0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.025 0.834 1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.683 1.425 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.600 3.224 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.138 3.820 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.011 4.724 -0.017 1.00 0.00 H new ATOM 548 N CYS A 38 -0.739 -1.370 -2.208 1.00 0.00 N ATOM 549 CA CYS A 38 -0.529 -1.092 -3.657 1.00 0.00 C ATOM 550 C CYS A 38 -1.675 -1.687 -4.472 1.00 0.00 C ATOM 551 O CYS A 38 -2.024 -1.185 -5.518 1.00 0.00 O ATOM 552 CB CYS A 38 0.794 -1.714 -4.109 1.00 0.00 C ATOM 553 SG CYS A 38 2.169 -0.655 -3.596 1.00 0.00 S ATOM 0 H CYS A 38 -0.015 -1.943 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.500 -0.014 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.907 -2.708 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.799 -1.835 -5.192 1.00 0.00 H new ATOM 558 N ASN A 39 -2.269 -2.749 -4.004 1.00 0.00 N ATOM 559 CA ASN A 39 -3.392 -3.360 -4.753 1.00 0.00 C ATOM 560 C ASN A 39 -4.609 -2.445 -4.640 1.00 0.00 C ATOM 561 O ASN A 39 -5.488 -2.451 -5.478 1.00 0.00 O ATOM 562 CB ASN A 39 -3.697 -4.728 -4.154 1.00 0.00 C ATOM 563 CG ASN A 39 -2.843 -5.781 -4.850 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.877 -5.907 -6.058 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.072 -6.546 -4.137 1.00 0.00 N ATOM 0 H ASN A 39 -2.022 -3.218 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.133 -3.483 -5.805 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.490 -4.724 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.755 -4.963 -4.273 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.494 -7.253 -4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.044 -6.439 -3.123 1.00 0.00 H new ATOM 572 N ALA A 40 -4.648 -1.638 -3.617 1.00 0.00 N ATOM 573 CA ALA A 40 -5.784 -0.694 -3.458 1.00 0.00 C ATOM 574 C ALA A 40 -5.459 0.565 -4.260 1.00 0.00 C ATOM 575 O ALA A 40 -6.331 1.307 -4.663 1.00 0.00 O ATOM 576 CB ALA A 40 -5.955 -0.335 -1.980 1.00 0.00 C ATOM 0 H ALA A 40 -3.940 -1.593 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.709 -1.146 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.789 0.358 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.155 -1.240 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.042 0.134 -1.611 1.00 0.00 H new ATOM 582 N VAL A 41 -4.196 0.793 -4.505 1.00 0.00 N ATOM 583 CA VAL A 41 -3.781 1.986 -5.293 1.00 0.00 C ATOM 584 C VAL A 41 -3.906 1.656 -6.780 1.00 0.00 C ATOM 585 O VAL A 41 -4.097 2.521 -7.611 1.00 0.00 O ATOM 586 CB VAL A 41 -2.321 2.318 -4.976 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.849 3.465 -5.871 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.195 2.723 -3.506 1.00 0.00 C ATOM 0 H VAL A 41 -3.430 0.198 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.413 2.838 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.702 1.440 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.809 3.700 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.934 3.169 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.467 4.345 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.155 2.959 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.815 3.599 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.525 1.900 -2.872 1.00 0.00 H new ATOM 598 N VAL A 42 -3.796 0.402 -7.117 1.00 0.00 N ATOM 599 CA VAL A 42 -3.903 -0.006 -8.544 1.00 0.00 C ATOM 600 C VAL A 42 -5.372 -0.226 -8.897 1.00 0.00 C ATOM 601 O VAL A 42 -5.794 -0.013 -10.016 1.00 0.00 O ATOM 602 CB VAL A 42 -3.127 -1.308 -8.761 1.00 0.00 C ATOM 603 CG1 VAL A 42 -1.658 -1.087 -8.416 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.690 -2.405 -7.858 1.00 0.00 C ATOM 0 H VAL A 42 -3.636 -0.362 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.487 0.775 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.223 -1.610 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.105 -2.013 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.247 -0.308 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.571 -0.782 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.134 -3.329 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.598 -2.101 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.741 -2.569 -8.096 1.00 0.00 H new ATOM 614 N GLU A 43 -6.157 -0.646 -7.947 1.00 0.00 N ATOM 615 CA GLU A 43 -7.598 -0.874 -8.219 1.00 0.00 C ATOM 616 C GLU A 43 -8.378 0.399 -7.898 1.00 0.00 C ATOM 617 O GLU A 43 -9.521 0.553 -8.282 1.00 0.00 O ATOM 618 CB GLU A 43 -8.114 -2.025 -7.349 1.00 0.00 C ATOM 619 CG GLU A 43 -9.059 -2.900 -8.171 1.00 0.00 C ATOM 620 CD GLU A 43 -9.920 -3.747 -7.231 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.900 -3.225 -6.726 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.583 -4.902 -7.031 1.00 0.00 O ATOM 0 H GLU A 43 -5.860 -0.841 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.733 -1.132 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.278 -2.620 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.634 -1.630 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.694 -2.276 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.487 -3.545 -8.837 1.00 0.00 H new ATOM 629 N SER A 44 -7.776 1.312 -7.183 1.00 0.00 N ATOM 630 CA SER A 44 -8.496 2.566 -6.830 1.00 0.00 C ATOM 631 C SER A 44 -8.128 3.683 -7.809 1.00 0.00 C ATOM 632 O SER A 44 -8.468 4.830 -7.603 1.00 0.00 O ATOM 633 CB SER A 44 -8.114 2.989 -5.411 1.00 0.00 C ATOM 634 OG SER A 44 -8.895 4.115 -5.031 1.00 0.00 O ATOM 0 H SER A 44 -6.821 1.243 -6.830 1.00 0.00 H new ATOM 0 HA SER A 44 -9.569 2.385 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.280 2.166 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.053 3.235 -5.366 1.00 0.00 H new ATOM 0 HG SER A 44 -8.864 4.789 -5.742 1.00 0.00 H new ATOM 640 N ASN A 45 -7.440 3.363 -8.871 1.00 0.00 N ATOM 641 CA ASN A 45 -7.054 4.412 -9.853 1.00 0.00 C ATOM 642 C ASN A 45 -6.138 5.432 -9.172 1.00 0.00 C ATOM 643 O ASN A 45 -6.089 6.588 -9.544 1.00 0.00 O ATOM 644 CB ASN A 45 -8.307 5.108 -10.380 1.00 0.00 C ATOM 645 CG ASN A 45 -9.033 4.183 -11.359 1.00 0.00 C ATOM 646 OD1 ASN A 45 -9.591 3.179 -10.964 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.048 4.481 -12.629 1.00 0.00 N ATOM 0 H ASN A 45 -7.129 2.419 -9.100 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.525 3.954 -10.688 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.967 5.368 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.036 6.040 -10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.528 3.871 -13.290 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.579 5.324 -12.961 1.00 0.00 H new ATOM 654 N GLY A 46 -5.409 5.005 -8.178 1.00 0.00 N ATOM 655 CA GLY A 46 -4.484 5.931 -7.463 1.00 0.00 C ATOM 656 C GLY A 46 -5.276 7.042 -6.778 1.00 0.00 C ATOM 657 O GLY A 46 -4.744 8.084 -6.445 1.00 0.00 O ATOM 0 H GLY A 46 -5.414 4.047 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.904 5.378 -6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.773 6.362 -8.168 1.00 0.00 H new ATOM 661 N THR A 47 -6.537 6.821 -6.544 1.00 0.00 N ATOM 662 CA THR A 47 -7.360 7.852 -5.855 1.00 0.00 C ATOM 663 C THR A 47 -7.418 7.513 -4.363 1.00 0.00 C ATOM 664 O THR A 47 -8.121 8.141 -3.596 1.00 0.00 O ATOM 665 CB THR A 47 -8.773 7.853 -6.440 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.523 6.793 -5.862 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.701 7.662 -7.957 1.00 0.00 C ATOM 0 H THR A 47 -7.035 5.969 -6.801 1.00 0.00 H new ATOM 0 HA THR A 47 -6.918 8.839 -5.994 1.00 0.00 H new ATOM 0 HB THR A 47 -9.257 8.804 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.429 6.793 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.709 7.663 -8.372 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.126 8.475 -8.399 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.217 6.711 -8.181 1.00 0.00 H new ATOM 675 N LEU A 48 -6.683 6.512 -3.951 1.00 0.00 N ATOM 676 CA LEU A 48 -6.679 6.106 -2.525 1.00 0.00 C ATOM 677 C LEU A 48 -5.688 6.989 -1.756 1.00 0.00 C ATOM 678 O LEU A 48 -6.059 7.740 -0.888 1.00 0.00 O ATOM 679 CB LEU A 48 -6.300 4.610 -2.483 1.00 0.00 C ATOM 680 CG LEU A 48 -5.257 4.296 -1.408 1.00 0.00 C ATOM 681 CD1 LEU A 48 -5.800 4.670 -0.030 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.951 2.801 -1.456 1.00 0.00 C ATOM 0 H LEU A 48 -6.079 5.955 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.652 6.237 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.196 4.017 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.914 4.310 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.349 4.870 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.052 4.443 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.030 5.735 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.706 4.099 0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.209 2.557 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.864 2.236 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.562 2.541 -2.440 1.00 0.00 H new ATOM 694 N THR A 49 -4.443 6.895 -2.088 1.00 0.00 N ATOM 695 CA THR A 49 -3.385 7.698 -1.421 1.00 0.00 C ATOM 696 C THR A 49 -3.405 7.462 0.070 1.00 0.00 C ATOM 697 O THR A 49 -4.401 7.615 0.725 1.00 0.00 O ATOM 698 CB THR A 49 -3.572 9.173 -1.701 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.786 9.634 -1.126 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.591 9.383 -3.201 1.00 0.00 C ATOM 0 H THR A 49 -4.098 6.274 -2.820 1.00 0.00 H new ATOM 0 HA THR A 49 -2.422 7.382 -1.822 1.00 0.00 H new ATOM 0 HB THR A 49 -2.751 9.738 -1.259 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.238 8.890 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.725 10.443 -3.418 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.648 9.042 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.413 8.816 -3.637 1.00 0.00 H new ATOM 708 N LEU A 50 -2.296 7.073 0.592 1.00 0.00 N ATOM 709 CA LEU A 50 -2.195 6.780 2.044 1.00 0.00 C ATOM 710 C LEU A 50 -1.899 8.058 2.836 1.00 0.00 C ATOM 711 O LEU A 50 -1.634 9.104 2.278 1.00 0.00 O ATOM 712 CB LEU A 50 -1.109 5.697 2.200 1.00 0.00 C ATOM 713 CG LEU A 50 0.074 6.129 3.076 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.566 4.904 3.822 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.203 6.667 2.195 1.00 0.00 C ATOM 0 H LEU A 50 -1.430 6.940 0.069 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.135 6.407 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.560 4.803 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.737 5.423 1.213 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.235 6.911 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.409 5.178 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.239 4.507 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.882 4.145 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.040 6.972 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.530 5.888 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.844 7.525 1.627 1.00 0.00 H new ATOM 727 N SER A 51 -1.942 7.973 4.142 1.00 0.00 N ATOM 728 CA SER A 51 -1.668 9.163 4.985 1.00 0.00 C ATOM 729 C SER A 51 -0.310 8.970 5.644 1.00 0.00 C ATOM 730 O SER A 51 0.384 9.913 5.968 1.00 0.00 O ATOM 731 CB SER A 51 -2.730 9.285 6.086 1.00 0.00 C ATOM 732 OG SER A 51 -3.074 10.652 6.265 1.00 0.00 O ATOM 0 H SER A 51 -2.158 7.120 4.659 1.00 0.00 H new ATOM 0 HA SER A 51 -1.685 10.062 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.615 8.709 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.350 8.870 7.019 1.00 0.00 H new ATOM 0 HG SER A 51 -3.753 10.729 6.967 1.00 0.00 H new ATOM 738 N HIS A 52 0.059 7.740 5.864 1.00 0.00 N ATOM 739 CA HIS A 52 1.353 7.456 6.526 1.00 0.00 C ATOM 740 C HIS A 52 1.595 5.950 6.533 1.00 0.00 C ATOM 741 O HIS A 52 0.685 5.162 6.375 1.00 0.00 O ATOM 742 CB HIS A 52 1.268 7.923 7.972 1.00 0.00 C ATOM 743 CG HIS A 52 0.190 7.121 8.644 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.334 6.598 9.918 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.040 6.693 8.201 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.777 5.887 10.190 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.645 5.916 9.180 1.00 0.00 N ATOM 0 H HIS A 52 -0.487 6.916 5.610 1.00 0.00 H new ATOM 0 HA HIS A 52 2.158 7.966 5.996 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.223 7.780 8.477 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.039 8.988 8.018 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.134 6.727 10.537 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.470 6.926 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.944 5.357 11.116 1.00 0.00 H new ATOM 755 N PHE A 53 2.807 5.549 6.753 1.00 0.00 N ATOM 756 CA PHE A 53 3.108 4.094 6.812 1.00 0.00 C ATOM 757 C PHE A 53 2.517 3.525 8.107 1.00 0.00 C ATOM 758 O PHE A 53 1.784 4.191 8.810 1.00 0.00 O ATOM 759 CB PHE A 53 4.625 3.888 6.808 1.00 0.00 C ATOM 760 CG PHE A 53 5.166 4.161 5.426 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.225 5.474 4.943 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.608 3.100 4.626 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.725 5.726 3.660 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.109 3.352 3.343 1.00 0.00 C ATOM 765 CZ PHE A 53 6.168 4.666 2.860 1.00 0.00 C ATOM 0 H PHE A 53 3.608 6.165 6.895 1.00 0.00 H new ATOM 0 HA PHE A 53 2.675 3.586 5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.095 4.553 7.532 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.865 2.868 7.109 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.885 6.292 5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.562 2.087 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.769 6.739 3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.450 2.534 2.726 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.555 4.861 1.871 1.00 0.00 H new ATOM 775 N GLY A 54 2.833 2.303 8.431 1.00 0.00 N ATOM 776 CA GLY A 54 2.298 1.691 9.681 1.00 0.00 C ATOM 777 C GLY A 54 0.769 1.601 9.619 1.00 0.00 C ATOM 778 O GLY A 54 0.151 1.911 8.621 1.00 0.00 O ATOM 0 H GLY A 54 3.442 1.697 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.722 0.696 9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.599 2.286 10.543 1.00 0.00 H new ATOM 782 N LYS A 55 0.158 1.196 10.695 1.00 0.00 N ATOM 783 CA LYS A 55 -1.327 1.093 10.724 1.00 0.00 C ATOM 784 C LYS A 55 -1.910 2.457 11.093 1.00 0.00 C ATOM 785 O LYS A 55 -1.214 3.329 11.570 1.00 0.00 O ATOM 786 CB LYS A 55 -1.755 0.055 11.769 1.00 0.00 C ATOM 787 CG LYS A 55 -0.651 -0.989 11.944 1.00 0.00 C ATOM 788 CD LYS A 55 -1.242 -2.260 12.558 1.00 0.00 C ATOM 789 CE LYS A 55 -0.745 -2.411 13.997 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.408 -1.392 14.860 1.00 0.00 N ATOM 0 H LYS A 55 0.626 0.930 11.561 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.692 0.784 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.958 0.546 12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.680 -0.429 11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.195 -1.216 10.980 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.138 -0.596 12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.331 -2.212 12.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.952 -3.130 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.964 -3.413 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.337 -2.287 14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.110 -1.526 15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.137 -0.439 14.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.440 -1.499 14.793 1.00 0.00 H new ATOM 804 N CYS A 56 -3.180 2.649 10.877 1.00 0.00 N ATOM 805 CA CYS A 56 -3.802 3.960 11.216 1.00 0.00 C ATOM 806 C CYS A 56 -3.925 4.086 12.735 1.00 0.00 C ATOM 807 O CYS A 56 -3.914 5.205 13.220 1.00 0.00 O ATOM 808 CB CYS A 56 -5.193 4.051 10.582 1.00 0.00 C ATOM 809 SG CYS A 56 -5.183 3.235 8.965 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.027 3.060 13.387 1.00 0.00 O ATOM 0 H CYS A 56 -3.815 1.956 10.481 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.178 4.766 10.831 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.931 3.581 11.232 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.485 5.095 10.471 1.00 0.00 H new TER 815 CYS A 56