USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 24 TYR OH : rot 32:sc= 0.909 USER MOD Set 1.2: A 26 ASN : amide:sc= 0.304 K(o=1.2,f=-3.6!) USER MOD Set 1.3: A 29 LYS NZ :NH3+ -104:sc= 0.0269 (180deg=-1.82!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.213 K(o=-0.31,f=-1.8) USER MOD Set 2.2: A 12 ASN : amide:sc= 0.236 K(o=-0.31,f=-5.3!) USER MOD Set 2.3: A 43 ASN : amide:sc= -0.337 K(o=-0.31,f=-2!) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.261 X(o=0.26,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.012) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.107 (180deg=-0.719) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.183 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.129 K(o=-0.13,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= -0.0288 (180deg=-0.241) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -12.001 -4.673 -0.254 1.00 0.00 N ATOM 35 CA LEU A 3 -12.272 -5.380 -1.501 1.00 0.00 C ATOM 36 C LEU A 3 -11.230 -6.485 -1.727 1.00 0.00 C ATOM 37 O LEU A 3 -11.432 -7.629 -1.321 1.00 0.00 O ATOM 38 CB LEU A 3 -12.392 -4.371 -2.662 1.00 0.00 C ATOM 39 CG LEU A 3 -12.567 -5.017 -4.057 1.00 0.00 C ATOM 40 CD1 LEU A 3 -13.727 -6.025 -4.085 1.00 0.00 C ATOM 41 CD2 LEU A 3 -12.777 -3.928 -5.118 1.00 0.00 C ATOM 0 HA LEU A 3 -13.233 -5.892 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.241 -3.715 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.501 -3.744 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.655 -5.569 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.813 -6.453 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.536 -6.820 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.656 -5.517 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.899 -4.392 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.670 -3.351 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.911 -3.266 -5.136 1.00 0.00 H new ATOM 53 N ARG A 4 -10.121 -6.122 -2.377 1.00 0.00 N ATOM 54 CA ARG A 4 -8.990 -6.984 -2.738 1.00 0.00 C ATOM 55 C ARG A 4 -8.289 -7.563 -1.513 1.00 0.00 C ATOM 56 O ARG A 4 -8.340 -7.012 -0.416 1.00 0.00 O ATOM 57 CB ARG A 4 -8.008 -6.203 -3.628 1.00 0.00 C ATOM 58 CG ARG A 4 -6.625 -6.787 -3.960 1.00 0.00 C ATOM 59 CD ARG A 4 -6.667 -7.976 -4.934 1.00 0.00 C ATOM 60 NE ARG A 4 -7.028 -7.546 -6.293 1.00 0.00 N ATOM 61 CZ ARG A 4 -7.198 -8.355 -7.355 1.00 0.00 C ATOM 62 NH1 ARG A 4 -7.044 -9.685 -7.250 1.00 0.00 N ATOM 63 NH2 ARG A 4 -7.526 -7.822 -8.540 1.00 0.00 N ATOM 0 H ARG A 4 -9.979 -5.160 -2.684 1.00 0.00 H new ATOM 0 HA ARG A 4 -9.379 -7.835 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.513 -6.013 -4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.844 -5.235 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.003 -6.001 -4.389 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.144 -7.105 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.694 -8.467 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.389 -8.712 -4.580 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.161 -6.546 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.793 -10.100 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.178 -10.280 -8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.644 -6.813 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.657 -8.425 -9.352 1.00 0.00 H new ATOM 77 N LYS A 5 -7.619 -8.692 -1.765 1.00 0.00 N ATOM 78 CA LYS A 5 -6.870 -9.490 -0.788 1.00 0.00 C ATOM 79 C LYS A 5 -5.421 -9.052 -0.634 1.00 0.00 C ATOM 80 O LYS A 5 -4.892 -9.009 0.477 1.00 0.00 O ATOM 81 CB LYS A 5 -7.008 -10.987 -1.120 1.00 0.00 C ATOM 82 CG LYS A 5 -6.287 -11.928 -0.136 1.00 0.00 C ATOM 83 CD LYS A 5 -6.829 -11.823 1.300 1.00 0.00 C ATOM 84 CE LYS A 5 -6.101 -12.767 2.268 1.00 0.00 C ATOM 85 NZ LYS A 5 -6.334 -14.187 1.950 1.00 0.00 N ATOM 0 H LYS A 5 -7.582 -9.094 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.312 -9.313 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.067 -11.246 -1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.617 -11.162 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.390 -12.956 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.222 -11.697 -0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.726 -10.796 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.894 -12.055 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.031 -12.561 2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.434 -12.566 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.922 -14.782 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.357 -14.366 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.888 -14.417 1.039 1.00 0.00 H new ATOM 99 N LEU A 6 -4.783 -8.741 -1.756 1.00 0.00 N ATOM 100 CA LEU A 6 -3.415 -8.234 -1.787 1.00 0.00 C ATOM 101 C LEU A 6 -3.325 -6.873 -1.071 1.00 0.00 C ATOM 102 O LEU A 6 -2.239 -6.453 -0.675 1.00 0.00 O ATOM 103 CB LEU A 6 -2.938 -8.121 -3.244 1.00 0.00 C ATOM 104 CG LEU A 6 -1.483 -7.632 -3.398 1.00 0.00 C ATOM 105 CD1 LEU A 6 -0.525 -8.451 -2.519 1.00 0.00 C ATOM 106 CD2 LEU A 6 -1.063 -7.709 -4.873 1.00 0.00 C ATOM 0 H LEU A 6 -5.205 -8.834 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.765 -8.931 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.034 -9.096 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.598 -7.437 -3.778 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.430 -6.595 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.493 -8.083 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.816 -8.352 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.571 -9.500 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.035 -7.363 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.135 -8.740 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.720 -7.079 -5.472 1.00 0.00 H new ATOM 118 N CYS A 7 -4.471 -6.201 -0.888 1.00 0.00 N ATOM 119 CA CYS A 7 -4.573 -4.907 -0.223 1.00 0.00 C ATOM 120 C CYS A 7 -4.908 -5.084 1.272 1.00 0.00 C ATOM 121 O CYS A 7 -4.866 -4.111 2.024 1.00 0.00 O ATOM 122 CB CYS A 7 -5.606 -4.034 -0.958 1.00 0.00 C ATOM 123 SG CYS A 7 -5.496 -2.298 -0.453 1.00 0.00 S ATOM 0 H CYS A 7 -5.371 -6.557 -1.209 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.611 -4.396 -0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.448 -4.111 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.609 -4.409 -0.756 1.00 0.00 H new ATOM 128 N ILE A 8 -5.215 -6.318 1.708 1.00 0.00 N ATOM 129 CA ILE A 8 -5.555 -6.683 3.084 1.00 0.00 C ATOM 130 C ILE A 8 -4.319 -7.244 3.815 1.00 0.00 C ATOM 131 O ILE A 8 -4.393 -7.461 5.025 1.00 0.00 O ATOM 132 CB ILE A 8 -6.766 -7.659 3.057 1.00 0.00 C ATOM 133 CG1 ILE A 8 -8.040 -6.845 2.739 1.00 0.00 C ATOM 134 CG2 ILE A 8 -6.985 -8.432 4.373 1.00 0.00 C ATOM 135 CD1 ILE A 8 -9.261 -7.718 2.411 1.00 0.00 C ATOM 0 H ILE A 8 -5.232 -7.120 1.078 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.857 -5.806 3.656 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.550 -8.408 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.277 -6.209 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.838 -6.185 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.848 -9.090 4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.100 -9.028 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.162 -7.726 5.184 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.118 -7.079 2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.043 -8.335 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.489 -8.360 3.262 1.00 0.00 H new ATOM 147 N LEU A 9 -3.172 -7.442 3.135 1.00 0.00 N ATOM 148 CA LEU A 9 -1.970 -7.968 3.772 1.00 0.00 C ATOM 149 C LEU A 9 -1.399 -6.886 4.691 1.00 0.00 C ATOM 150 O LEU A 9 -1.573 -6.941 5.908 1.00 0.00 O ATOM 151 CB LEU A 9 -0.969 -8.483 2.713 1.00 0.00 C ATOM 152 CG LEU A 9 -1.546 -9.549 1.759 1.00 0.00 C ATOM 153 CD1 LEU A 9 -0.423 -10.108 0.872 1.00 0.00 C ATOM 154 CD2 LEU A 9 -2.243 -10.707 2.492 1.00 0.00 C ATOM 0 H LEU A 9 -3.063 -7.241 2.141 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.203 -8.836 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.615 -7.637 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.101 -8.901 3.223 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.306 -9.052 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.832 -10.861 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.016 -9.299 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.345 -10.561 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.626 -11.421 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.529 -11.205 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.069 -10.317 3.086 1.00 0.00 H new ATOM 166 N HIS A 10 -0.755 -5.910 4.055 1.00 0.00 N ATOM 167 CA HIS A 10 -0.086 -4.714 4.565 1.00 0.00 C ATOM 168 C HIS A 10 0.992 -4.301 3.554 1.00 0.00 C ATOM 169 O HIS A 10 1.502 -5.126 2.793 1.00 0.00 O ATOM 170 CB HIS A 10 0.554 -4.902 5.960 1.00 0.00 C ATOM 171 CG HIS A 10 1.675 -5.918 6.032 1.00 0.00 C ATOM 172 ND1 HIS A 10 1.441 -7.289 5.923 1.00 0.00 N ATOM 173 CD2 HIS A 10 3.020 -5.716 6.207 1.00 0.00 C ATOM 174 CE1 HIS A 10 2.645 -7.855 6.037 1.00 0.00 C ATOM 175 NE2 HIS A 10 3.626 -6.954 6.204 1.00 0.00 N ATOM 0 H HIS A 10 -0.681 -5.944 3.038 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.845 -3.941 4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.938 -3.939 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.226 -5.197 6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.513 -4.763 6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.811 -8.921 5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.622 -7.147 6.308 1.00 0.00 H new ATOM 183 N ARG A 11 1.348 -3.011 3.564 1.00 0.00 N ATOM 184 CA ARG A 11 2.352 -2.400 2.719 1.00 0.00 C ATOM 185 C ARG A 11 3.710 -3.102 2.862 1.00 0.00 C ATOM 186 O ARG A 11 4.009 -3.654 3.921 1.00 0.00 O ATOM 187 CB ARG A 11 2.394 -0.909 3.071 1.00 0.00 C ATOM 188 CG ARG A 11 2.981 -0.455 4.419 1.00 0.00 C ATOM 189 CD ARG A 11 2.290 -1.050 5.652 1.00 0.00 C ATOM 190 NE ARG A 11 2.634 -0.305 6.872 1.00 0.00 N ATOM 191 CZ ARG A 11 1.963 -0.357 8.037 1.00 0.00 C ATOM 192 NH1 ARG A 11 0.908 -1.171 8.202 1.00 0.00 N ATOM 193 NH2 ARG A 11 2.355 0.423 9.055 1.00 0.00 N ATOM 0 H ARG A 11 0.915 -2.340 4.198 1.00 0.00 H new ATOM 0 HA ARG A 11 2.098 -2.509 1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.958 -0.406 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.372 -0.534 3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.038 -0.721 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.924 0.632 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.210 -1.036 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.583 -2.094 5.767 1.00 0.00 H new ATOM 0 HE ARG A 11 3.452 0.304 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.599 -1.768 7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.415 -1.193 9.095 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.154 1.047 8.941 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.854 0.392 9.943 1.00 0.00 H new ATOM 207 N ASN A 12 4.525 -3.087 1.792 1.00 0.00 N ATOM 208 CA ASN A 12 5.836 -3.737 1.761 1.00 0.00 C ATOM 209 C ASN A 12 6.986 -2.753 1.482 1.00 0.00 C ATOM 210 O ASN A 12 7.670 -2.882 0.465 1.00 0.00 O ATOM 211 CB ASN A 12 5.768 -4.878 0.725 1.00 0.00 C ATOM 212 CG ASN A 12 6.990 -5.802 0.741 1.00 0.00 C ATOM 213 OD1 ASN A 12 7.793 -5.792 -0.190 1.00 0.00 O ATOM 214 ND2 ASN A 12 7.126 -6.615 1.793 1.00 0.00 N ATOM 0 H ASN A 12 4.284 -2.617 0.919 1.00 0.00 H new ATOM 0 HA ASN A 12 6.064 -4.144 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.873 -5.472 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.664 -4.446 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.917 -7.257 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.438 -6.594 2.546 1.00 0.00 H new ATOM 221 N PRO A 13 7.244 -1.784 2.386 1.00 0.00 N ATOM 222 CA PRO A 13 8.326 -0.819 2.275 1.00 0.00 C ATOM 223 C PRO A 13 9.573 -1.459 2.927 1.00 0.00 C ATOM 224 O PRO A 13 10.201 -0.888 3.817 1.00 0.00 O ATOM 225 CB PRO A 13 7.851 0.415 3.055 1.00 0.00 C ATOM 226 CG PRO A 13 7.053 -0.227 4.187 1.00 0.00 C ATOM 227 CD PRO A 13 6.356 -1.360 3.440 1.00 0.00 C ATOM 0 HA PRO A 13 8.577 -0.540 1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.685 1.010 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.236 1.075 2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.695 -0.594 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.344 0.467 4.638 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.136 -2.188 4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.405 -1.022 3.029 1.00 0.00 H new ATOM 235 N GLY A 14 9.878 -2.684 2.490 1.00 0.00 N ATOM 236 CA GLY A 14 10.931 -3.595 2.897 1.00 0.00 C ATOM 237 C GLY A 14 12.378 -3.103 2.924 1.00 0.00 C ATOM 238 O GLY A 14 12.659 -1.910 2.996 1.00 0.00 O ATOM 0 H GLY A 14 9.316 -3.105 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.687 -3.951 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.891 -4.459 2.233 1.00 0.00 H new ATOM 242 N ARG A 15 13.294 -4.082 2.967 1.00 0.00 N ATOM 243 CA ARG A 15 14.743 -3.911 2.963 1.00 0.00 C ATOM 244 C ARG A 15 15.201 -3.955 1.498 1.00 0.00 C ATOM 245 O ARG A 15 15.376 -5.052 0.965 1.00 0.00 O ATOM 246 CB ARG A 15 15.412 -5.015 3.808 1.00 0.00 C ATOM 247 CG ARG A 15 15.273 -4.829 5.332 1.00 0.00 C ATOM 248 CD ARG A 15 13.834 -4.832 5.879 1.00 0.00 C ATOM 249 NE ARG A 15 13.040 -5.973 5.393 1.00 0.00 N ATOM 250 CZ ARG A 15 13.156 -7.253 5.791 1.00 0.00 C ATOM 251 NH1 ARG A 15 14.035 -7.617 6.738 1.00 0.00 N ATOM 252 NH2 ARG A 15 12.376 -8.186 5.226 1.00 0.00 N ATOM 0 H ARG A 15 13.023 -5.064 3.008 1.00 0.00 H new ATOM 0 HA ARG A 15 15.032 -2.959 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.981 -5.977 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.471 -5.056 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.832 -5.622 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.745 -3.886 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.865 -4.855 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.340 -3.904 5.593 1.00 0.00 H new ATOM 0 HE ARG A 15 12.333 -5.773 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.635 -6.916 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.103 -8.594 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.706 -7.921 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.453 -9.160 5.518 1.00 0.00 H new ATOM 266 N CYS A 16 15.391 -2.800 0.838 1.00 0.00 N ATOM 267 CA CYS A 16 15.812 -2.768 -0.566 1.00 0.00 C ATOM 268 C CYS A 16 16.558 -1.476 -0.899 1.00 0.00 C ATOM 269 O CYS A 16 17.720 -1.511 -1.307 1.00 0.00 O ATOM 270 CB CYS A 16 14.593 -3.023 -1.476 1.00 0.00 C ATOM 271 SG CYS A 16 14.926 -3.588 -3.168 1.00 0.00 S ATOM 0 H CYS A 16 15.259 -1.879 1.257 1.00 0.00 H new ATOM 0 HA CYS A 16 16.529 -3.568 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.958 -3.765 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.016 -2.100 -1.535 1.00 0.00 H new ATOM 276 N TYR A 17 15.877 -0.345 -0.713 1.00 0.00 N ATOM 277 CA TYR A 17 16.395 0.997 -0.978 1.00 0.00 C ATOM 278 C TYR A 17 15.758 2.038 -0.026 1.00 0.00 C ATOM 279 O TYR A 17 16.161 2.111 1.133 1.00 0.00 O ATOM 280 CB TYR A 17 16.174 1.324 -2.474 1.00 0.00 C ATOM 281 CG TYR A 17 17.189 0.692 -3.414 1.00 0.00 C ATOM 282 CD1 TYR A 17 18.520 1.165 -3.449 1.00 0.00 C ATOM 283 CD2 TYR A 17 16.809 -0.391 -4.241 1.00 0.00 C ATOM 284 CE1 TYR A 17 19.471 0.544 -4.287 1.00 0.00 C ATOM 285 CE2 TYR A 17 17.761 -1.014 -5.074 1.00 0.00 C ATOM 286 CZ TYR A 17 19.094 -0.548 -5.097 1.00 0.00 C ATOM 287 OH TYR A 17 20.019 -1.151 -5.900 1.00 0.00 O ATOM 0 H TYR A 17 14.919 -0.338 -0.363 1.00 0.00 H new ATOM 0 HA TYR A 17 17.466 1.037 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.176 0.993 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.201 2.406 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.810 2.003 -2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.787 -0.741 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 17 20.489 0.905 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.470 -1.848 -5.695 1.00 0.00 H new ATOM 0 HH TYR A 17 19.596 -1.886 -6.391 1.00 0.00 H new ATOM 297 N GLN A 18 14.794 2.830 -0.532 1.00 0.00 N ATOM 298 CA GLN A 18 14.017 3.935 0.056 1.00 0.00 C ATOM 299 C GLN A 18 13.944 4.961 -1.079 1.00 0.00 C ATOM 300 O GLN A 18 14.821 5.821 -1.179 1.00 0.00 O ATOM 301 CB GLN A 18 14.629 4.511 1.352 1.00 0.00 C ATOM 302 CG GLN A 18 13.803 5.693 1.890 1.00 0.00 C ATOM 303 CD GLN A 18 14.301 6.159 3.260 1.00 0.00 C ATOM 304 OE1 GLN A 18 14.963 7.189 3.369 1.00 0.00 O ATOM 305 NE2 GLN A 18 13.981 5.401 4.313 1.00 0.00 N ATOM 0 H GLN A 18 14.503 2.687 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 18 13.034 3.607 0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.682 3.729 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.651 4.838 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.853 6.522 1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.756 5.400 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.430 4.553 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.288 5.671 5.248 1.00 0.00 H new ATOM 314 N LYS A 19 12.919 4.860 -1.948 1.00 0.00 N ATOM 315 CA LYS A 19 12.817 5.726 -3.121 1.00 0.00 C ATOM 316 C LYS A 19 11.452 5.881 -3.803 1.00 0.00 C ATOM 317 O LYS A 19 11.366 6.697 -4.720 1.00 0.00 O ATOM 318 CB LYS A 19 13.749 5.061 -4.151 1.00 0.00 C ATOM 319 CG LYS A 19 14.116 5.860 -5.410 1.00 0.00 C ATOM 320 CD LYS A 19 14.700 7.234 -5.055 1.00 0.00 C ATOM 321 CE LYS A 19 15.328 7.895 -6.289 1.00 0.00 C ATOM 322 NZ LYS A 19 15.875 9.226 -5.972 1.00 0.00 N ATOM 0 H LYS A 19 12.157 4.188 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 19 13.052 6.735 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.675 4.796 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.283 4.129 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.839 5.298 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.230 5.990 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.915 7.875 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.452 7.124 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.122 7.258 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.578 7.987 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.291 9.643 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.112 9.841 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.608 9.135 -5.240 1.00 0.00 H new ATOM 336 N ILE A 20 10.402 5.149 -3.405 1.00 0.00 N ATOM 337 CA ILE A 20 9.114 5.236 -4.120 1.00 0.00 C ATOM 338 C ILE A 20 7.977 5.626 -3.172 1.00 0.00 C ATOM 339 O ILE A 20 7.053 4.835 -2.972 1.00 0.00 O ATOM 340 CB ILE A 20 8.817 3.912 -4.894 1.00 0.00 C ATOM 341 CG1 ILE A 20 10.022 3.369 -5.701 1.00 0.00 C ATOM 342 CG2 ILE A 20 7.632 4.122 -5.857 1.00 0.00 C ATOM 343 CD1 ILE A 20 9.695 2.131 -6.544 1.00 0.00 C ATOM 0 H ILE A 20 10.412 4.505 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 20 9.187 6.031 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 20 8.583 3.169 -4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.392 4.157 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.829 3.124 -5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.430 3.195 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.748 4.412 -5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.878 4.908 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 20 10.588 1.810 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.354 1.327 -5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.910 2.375 -7.260 1.00 0.00 H new ATOM 355 N PRO A 21 7.982 6.843 -2.594 1.00 0.00 N ATOM 356 CA PRO A 21 6.904 7.235 -1.718 1.00 0.00 C ATOM 357 C PRO A 21 5.595 7.328 -2.482 1.00 0.00 C ATOM 358 O PRO A 21 5.496 7.939 -3.547 1.00 0.00 O ATOM 359 CB PRO A 21 7.269 8.541 -1.054 1.00 0.00 C ATOM 360 CG PRO A 21 8.413 9.087 -1.918 1.00 0.00 C ATOM 361 CD PRO A 21 9.022 7.857 -2.605 1.00 0.00 C ATOM 0 HA PRO A 21 6.758 6.480 -0.945 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.423 9.228 -1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.585 8.390 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.045 9.805 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.154 9.605 -1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.330 8.091 -3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.910 7.512 -2.075 1.00 0.00 H new ATOM 369 N ALA A 22 4.607 6.679 -1.877 1.00 0.00 N ATOM 370 CA ALA A 22 3.250 6.585 -2.413 1.00 0.00 C ATOM 371 C ALA A 22 2.226 6.416 -1.279 1.00 0.00 C ATOM 372 O ALA A 22 2.293 7.160 -0.301 1.00 0.00 O ATOM 373 CB ALA A 22 3.239 5.461 -3.464 1.00 0.00 C ATOM 0 H ALA A 22 4.726 6.195 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 22 2.948 7.505 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.238 5.365 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.945 5.700 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.527 4.521 -2.994 1.00 0.00 H new ATOM 379 N PHE A 23 1.269 5.478 -1.410 1.00 0.00 N ATOM 380 CA PHE A 23 0.224 5.198 -0.421 1.00 0.00 C ATOM 381 C PHE A 23 -0.034 3.682 -0.277 1.00 0.00 C ATOM 382 O PHE A 23 0.343 2.874 -1.124 1.00 0.00 O ATOM 383 CB PHE A 23 -1.115 5.812 -0.869 1.00 0.00 C ATOM 384 CG PHE A 23 -1.130 7.300 -1.161 1.00 0.00 C ATOM 385 CD1 PHE A 23 -0.679 7.785 -2.405 1.00 0.00 C ATOM 386 CD2 PHE A 23 -1.606 8.205 -0.188 1.00 0.00 C ATOM 387 CE1 PHE A 23 -0.584 9.176 -2.626 1.00 0.00 C ATOM 388 CE2 PHE A 23 -1.504 9.594 -0.402 1.00 0.00 C ATOM 389 CZ PHE A 23 -0.986 10.080 -1.621 1.00 0.00 C ATOM 0 H PHE A 23 1.204 4.879 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 23 0.574 5.621 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.444 5.288 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.855 5.612 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.406 7.093 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.050 7.832 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.203 9.548 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.822 10.285 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.897 11.144 -1.784 1.00 0.00 H new ATOM 399 N TYR A 24 -0.738 3.329 0.802 1.00 0.00 N ATOM 400 CA TYR A 24 -1.188 1.999 1.201 1.00 0.00 C ATOM 401 C TYR A 24 -2.529 2.124 1.933 1.00 0.00 C ATOM 402 O TYR A 24 -2.774 3.125 2.600 1.00 0.00 O ATOM 403 CB TYR A 24 -0.162 1.299 2.104 1.00 0.00 C ATOM 404 CG TYR A 24 -0.310 1.562 3.604 1.00 0.00 C ATOM 405 CD1 TYR A 24 -0.064 2.849 4.132 1.00 0.00 C ATOM 406 CD2 TYR A 24 -0.762 0.536 4.467 1.00 0.00 C ATOM 407 CE1 TYR A 24 -0.165 3.082 5.518 1.00 0.00 C ATOM 408 CE2 TYR A 24 -0.909 0.780 5.848 1.00 0.00 C ATOM 409 CZ TYR A 24 -0.586 2.046 6.379 1.00 0.00 C ATOM 410 OH TYR A 24 -0.682 2.264 7.723 1.00 0.00 O ATOM 0 H TYR A 24 -1.033 4.034 1.478 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.303 1.391 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.229 0.224 1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.837 1.609 1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.203 3.659 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.996 -0.439 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.080 4.053 5.921 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.269 -0.003 6.499 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.931 3.198 7.886 1.00 0.00 H new ATOM 420 N TYR A 25 -3.346 1.067 1.906 1.00 0.00 N ATOM 421 CA TYR A 25 -4.661 1.049 2.541 1.00 0.00 C ATOM 422 C TYR A 25 -4.514 0.818 4.047 1.00 0.00 C ATOM 423 O TYR A 25 -4.139 -0.283 4.454 1.00 0.00 O ATOM 424 CB TYR A 25 -5.478 -0.067 1.874 1.00 0.00 C ATOM 425 CG TYR A 25 -6.890 -0.307 2.386 1.00 0.00 C ATOM 426 CD1 TYR A 25 -7.849 0.730 2.344 1.00 0.00 C ATOM 427 CD2 TYR A 25 -7.271 -1.588 2.852 1.00 0.00 C ATOM 428 CE1 TYR A 25 -9.188 0.464 2.696 1.00 0.00 C ATOM 429 CE2 TYR A 25 -8.617 -1.859 3.175 1.00 0.00 C ATOM 430 CZ TYR A 25 -9.582 -0.834 3.080 1.00 0.00 C ATOM 431 OH TYR A 25 -10.893 -1.099 3.357 1.00 0.00 O ATOM 0 H TYR A 25 -3.108 0.193 1.437 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.173 2.003 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.540 0.153 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.921 -0.998 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.557 1.725 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.526 -2.363 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.917 1.260 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.908 -2.849 3.494 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.991 -2.042 3.604 1.00 0.00 H new ATOM 441 N ASN A 26 -4.803 1.844 4.874 1.00 0.00 N ATOM 442 CA ASN A 26 -4.718 1.721 6.322 1.00 0.00 C ATOM 443 C ASN A 26 -6.000 1.008 6.770 1.00 0.00 C ATOM 444 O ASN A 26 -7.088 1.564 6.651 1.00 0.00 O ATOM 445 CB ASN A 26 -4.564 3.120 6.936 1.00 0.00 C ATOM 446 CG ASN A 26 -4.430 3.082 8.461 1.00 0.00 C ATOM 447 OD1 ASN A 26 -5.292 3.587 9.174 1.00 0.00 O ATOM 448 ND2 ASN A 26 -3.349 2.487 8.970 1.00 0.00 N ATOM 0 H ASN A 26 -5.097 2.765 4.550 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.854 1.144 6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.686 3.605 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.427 3.728 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.220 2.442 9.981 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.652 2.077 8.348 1.00 0.00 H new ATOM 455 N GLN A 27 -5.865 -0.229 7.268 1.00 0.00 N ATOM 456 CA GLN A 27 -6.943 -1.107 7.716 1.00 0.00 C ATOM 457 C GLN A 27 -7.481 -0.737 9.110 1.00 0.00 C ATOM 458 O GLN A 27 -7.724 -1.610 9.943 1.00 0.00 O ATOM 459 CB GLN A 27 -6.427 -2.559 7.652 1.00 0.00 C ATOM 460 CG GLN A 27 -5.969 -2.927 6.230 1.00 0.00 C ATOM 461 CD GLN A 27 -5.524 -4.388 6.129 1.00 0.00 C ATOM 462 OE1 GLN A 27 -6.350 -5.294 6.207 1.00 0.00 O ATOM 463 NE2 GLN A 27 -4.220 -4.625 5.952 1.00 0.00 N ATOM 0 H GLN A 27 -4.948 -0.663 7.373 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.801 -0.988 7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.597 -2.683 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.215 -3.242 7.971 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.784 -2.747 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.146 -2.276 5.935 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.564 -3.846 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.882 -5.584 5.877 1.00 0.00 H new ATOM 472 N LYS A 28 -7.676 0.567 9.350 1.00 0.00 N ATOM 473 CA LYS A 28 -8.208 1.161 10.584 1.00 0.00 C ATOM 474 C LYS A 28 -9.110 2.345 10.209 1.00 0.00 C ATOM 475 O LYS A 28 -10.194 2.544 10.755 1.00 0.00 O ATOM 476 CB LYS A 28 -7.072 1.603 11.527 1.00 0.00 C ATOM 477 CG LYS A 28 -6.125 0.457 11.918 1.00 0.00 C ATOM 478 CD LYS A 28 -5.064 0.944 12.919 1.00 0.00 C ATOM 479 CE LYS A 28 -4.042 -0.151 13.261 1.00 0.00 C ATOM 480 NZ LYS A 28 -4.658 -1.294 13.958 1.00 0.00 N ATOM 0 H LYS A 28 -7.454 1.275 8.650 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.792 0.415 11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.496 2.393 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.505 2.031 12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.697 -0.360 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.637 0.062 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.544 1.807 12.503 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.555 1.278 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.567 -0.501 12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.256 0.272 13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.920 -1.975 14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.147 -0.957 14.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.343 -1.757 13.327 1.00 0.00 H new ATOM 494 N LYS A 29 -8.601 3.108 9.247 1.00 0.00 N ATOM 495 CA LYS A 29 -9.111 4.291 8.577 1.00 0.00 C ATOM 496 C LYS A 29 -10.024 3.942 7.449 1.00 0.00 C ATOM 497 O LYS A 29 -11.091 4.532 7.257 1.00 0.00 O ATOM 498 CB LYS A 29 -7.886 5.015 8.074 1.00 0.00 C ATOM 499 CG LYS A 29 -8.322 6.323 7.442 1.00 0.00 C ATOM 500 CD LYS A 29 -7.151 7.097 6.869 1.00 0.00 C ATOM 501 CE LYS A 29 -6.137 7.657 7.881 1.00 0.00 C ATOM 502 NZ LYS A 29 -5.115 6.674 8.288 1.00 0.00 N ATOM 0 H LYS A 29 -7.685 2.870 8.867 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.706 4.905 9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.194 5.204 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.356 4.401 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.044 6.120 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.830 6.934 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.618 6.446 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.545 7.929 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.643 8.526 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.671 8.003 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.333 6.321 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.111 5.879 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.179 7.128 8.293 1.00 0.00 H new ATOM 516 N LYS A 30 -9.513 3.000 6.680 1.00 0.00 N ATOM 517 CA LYS A 30 -10.180 2.442 5.554 1.00 0.00 C ATOM 518 C LYS A 30 -10.251 3.499 4.442 1.00 0.00 C ATOM 519 O LYS A 30 -11.314 3.945 4.012 1.00 0.00 O ATOM 520 CB LYS A 30 -11.482 1.853 6.137 1.00 0.00 C ATOM 521 CG LYS A 30 -11.231 0.392 6.550 1.00 0.00 C ATOM 522 CD LYS A 30 -12.437 -0.540 6.368 1.00 0.00 C ATOM 523 CE LYS A 30 -13.594 -0.281 7.345 1.00 0.00 C ATOM 524 NZ LYS A 30 -14.368 0.927 7.011 1.00 0.00 N ATOM 0 H LYS A 30 -8.589 2.599 6.841 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.686 1.622 5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.807 2.437 6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.282 1.903 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.396 0.002 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.927 0.371 7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.809 -0.438 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.104 -1.571 6.484 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.260 -1.144 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.195 -0.183 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.315 0.861 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.879 1.766 7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.457 1.007 5.978 1.00 0.00 H new ATOM 538 N GLN A 31 -9.036 3.864 4.010 1.00 0.00 N ATOM 539 CA GLN A 31 -8.628 4.821 2.993 1.00 0.00 C ATOM 540 C GLN A 31 -7.108 4.640 2.825 1.00 0.00 C ATOM 541 O GLN A 31 -6.428 4.097 3.710 1.00 0.00 O ATOM 542 CB GLN A 31 -9.003 6.255 3.420 1.00 0.00 C ATOM 543 CG GLN A 31 -8.560 7.325 2.408 1.00 0.00 C ATOM 544 CD GLN A 31 -9.140 8.703 2.736 1.00 0.00 C ATOM 545 OE1 GLN A 31 -10.017 9.199 2.031 1.00 0.00 O ATOM 546 NE2 GLN A 31 -8.648 9.330 3.808 1.00 0.00 N ATOM 0 H GLN A 31 -8.212 3.431 4.428 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.136 4.652 2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.083 6.316 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.549 6.469 4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.472 7.384 2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.874 7.029 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.921 8.887 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.000 10.252 4.066 1.00 0.00 H new ATOM 555 N CYS A 32 -6.559 5.081 1.684 1.00 0.00 N ATOM 556 CA CYS A 32 -5.146 4.947 1.420 1.00 0.00 C ATOM 557 C CYS A 32 -4.376 6.064 2.102 1.00 0.00 C ATOM 558 O CYS A 32 -4.449 7.225 1.697 1.00 0.00 O ATOM 559 CB CYS A 32 -4.867 4.931 -0.079 1.00 0.00 C ATOM 560 SG CYS A 32 -3.658 3.740 -0.707 1.00 0.00 S ATOM 0 H CYS A 32 -7.086 5.533 0.936 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.810 3.994 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.811 4.750 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.534 5.928 -0.367 1.00 0.00 H new ATOM 565 N GLU A 33 -3.675 5.694 3.173 1.00 0.00 N ATOM 566 CA GLU A 33 -2.795 6.575 3.903 1.00 0.00 C ATOM 567 C GLU A 33 -1.502 6.527 3.114 1.00 0.00 C ATOM 568 O GLU A 33 -1.264 5.643 2.298 1.00 0.00 O ATOM 569 CB GLU A 33 -2.601 6.077 5.329 1.00 0.00 C ATOM 570 CG GLU A 33 -1.549 6.752 6.199 1.00 0.00 C ATOM 571 CD GLU A 33 -1.664 6.321 7.665 1.00 0.00 C ATOM 572 OE1 GLU A 33 -1.439 5.120 7.930 1.00 0.00 O ATOM 573 OE2 GLU A 33 -1.982 7.198 8.499 1.00 0.00 O ATOM 0 H GLU A 33 -3.711 4.750 3.557 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.183 7.589 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.559 6.161 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.358 5.016 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.555 6.507 5.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.658 7.834 6.128 1.00 0.00 H new ATOM 580 N GLY A 34 -0.641 7.482 3.387 1.00 0.00 N ATOM 581 CA GLY A 34 0.625 7.543 2.655 1.00 0.00 C ATOM 582 C GLY A 34 1.697 6.646 3.267 1.00 0.00 C ATOM 583 O GLY A 34 1.644 6.378 4.469 1.00 0.00 O ATOM 0 H GLY A 34 -0.778 8.211 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.457 7.248 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.983 8.573 2.639 1.00 0.00 H new ATOM 587 N PHE A 35 2.667 6.174 2.462 1.00 0.00 N ATOM 588 CA PHE A 35 3.711 5.321 3.023 1.00 0.00 C ATOM 589 C PHE A 35 4.966 5.532 2.158 1.00 0.00 C ATOM 590 O PHE A 35 4.845 5.732 0.945 1.00 0.00 O ATOM 591 CB PHE A 35 3.313 3.824 2.973 1.00 0.00 C ATOM 592 CG PHE A 35 3.552 2.985 1.725 1.00 0.00 C ATOM 593 CD1 PHE A 35 3.057 3.350 0.462 1.00 0.00 C ATOM 594 CD2 PHE A 35 4.364 1.833 1.842 1.00 0.00 C ATOM 595 CE1 PHE A 35 3.330 2.551 -0.669 1.00 0.00 C ATOM 596 CE2 PHE A 35 4.660 1.044 0.711 1.00 0.00 C ATOM 597 CZ PHE A 35 4.134 1.398 -0.547 1.00 0.00 C ATOM 0 H PHE A 35 2.744 6.363 1.463 1.00 0.00 H new ATOM 0 HA PHE A 35 3.878 5.582 4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.833 3.329 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.247 3.771 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.464 4.247 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.761 1.555 2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.922 2.823 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.288 0.171 0.809 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.345 0.790 -1.414 1.00 0.00 H new ATOM 607 N THR A 36 6.169 5.490 2.753 1.00 0.00 N ATOM 608 CA THR A 36 7.406 5.633 1.980 1.00 0.00 C ATOM 609 C THR A 36 7.890 4.223 1.670 1.00 0.00 C ATOM 610 O THR A 36 8.196 3.467 2.592 1.00 0.00 O ATOM 611 CB THR A 36 8.517 6.440 2.675 1.00 0.00 C ATOM 612 OG1 THR A 36 8.057 7.747 2.957 1.00 0.00 O ATOM 613 CG2 THR A 36 9.735 6.516 1.720 1.00 0.00 C ATOM 0 H THR A 36 6.308 5.360 3.755 1.00 0.00 H new ATOM 0 HA THR A 36 7.180 6.210 1.083 1.00 0.00 H new ATOM 0 HB THR A 36 8.798 5.956 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.768 8.255 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.535 7.085 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.088 5.509 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.440 7.008 0.793 1.00 0.00 H new ATOM 621 N TRP A 37 7.970 3.875 0.380 1.00 0.00 N ATOM 622 CA TRP A 37 8.431 2.556 -0.033 1.00 0.00 C ATOM 623 C TRP A 37 9.947 2.458 0.145 1.00 0.00 C ATOM 624 O TRP A 37 10.639 3.463 -0.024 1.00 0.00 O ATOM 625 CB TRP A 37 8.072 2.387 -1.499 1.00 0.00 C ATOM 626 CG TRP A 37 8.578 1.188 -2.227 1.00 0.00 C ATOM 627 CD1 TRP A 37 7.868 0.076 -2.500 1.00 0.00 C ATOM 628 CD2 TRP A 37 9.881 1.000 -2.854 1.00 0.00 C ATOM 629 NE1 TRP A 37 8.564 -0.690 -3.406 1.00 0.00 N ATOM 630 CE2 TRP A 37 9.766 -0.098 -3.752 1.00 0.00 C ATOM 631 CE3 TRP A 37 11.108 1.710 -2.857 1.00 0.00 C ATOM 632 CZ2 TRP A 37 10.756 -0.359 -4.719 1.00 0.00 C ATOM 633 CZ3 TRP A 37 12.183 1.317 -3.681 1.00 0.00 C ATOM 634 CH2 TRP A 37 11.992 0.313 -4.650 1.00 0.00 C ATOM 0 H TRP A 37 7.720 4.493 -0.392 1.00 0.00 H new ATOM 0 HA TRP A 37 7.964 1.778 0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.985 2.385 -1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.427 3.270 -2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 37 6.907 -0.174 -2.076 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.236 -1.582 -3.776 1.00 0.00 H new ATOM 0 HE3 TRP A 37 11.222 2.570 -2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.568 -1.071 -5.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.150 1.785 -3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.788 0.060 -5.335 1.00 0.00 H new ATOM 645 N SER A 38 10.464 1.263 0.470 1.00 0.00 N ATOM 646 CA SER A 38 11.890 1.018 0.633 1.00 0.00 C ATOM 647 C SER A 38 12.219 -0.458 0.389 1.00 0.00 C ATOM 648 O SER A 38 13.356 -0.847 0.639 1.00 0.00 O ATOM 649 CB SER A 38 12.341 1.426 2.055 1.00 0.00 C ATOM 650 OG SER A 38 11.977 2.743 2.413 1.00 0.00 O ATOM 0 H SER A 38 9.889 0.435 0.627 1.00 0.00 H new ATOM 0 HA SER A 38 12.426 1.620 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.910 0.731 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.424 1.327 2.125 1.00 0.00 H new ATOM 0 HG SER A 38 12.291 2.934 3.322 1.00 0.00 H new ATOM 656 N GLY A 39 11.274 -1.266 -0.127 1.00 0.00 N ATOM 657 CA GLY A 39 11.447 -2.691 -0.330 1.00 0.00 C ATOM 658 C GLY A 39 11.351 -3.240 -1.747 1.00 0.00 C ATOM 659 O GLY A 39 11.247 -2.534 -2.745 1.00 0.00 O ATOM 0 H GLY A 39 10.356 -0.927 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.424 -2.966 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.701 -3.205 0.276 1.00 0.00 H new ATOM 663 N CYS A 40 11.402 -4.573 -1.742 1.00 0.00 N ATOM 664 CA CYS A 40 11.314 -5.552 -2.813 1.00 0.00 C ATOM 665 C CYS A 40 11.247 -6.914 -2.086 1.00 0.00 C ATOM 666 O CYS A 40 11.994 -7.841 -2.398 1.00 0.00 O ATOM 667 CB CYS A 40 12.482 -5.399 -3.814 1.00 0.00 C ATOM 668 SG CYS A 40 14.198 -5.512 -3.203 1.00 0.00 S ATOM 0 H CYS A 40 11.524 -5.054 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 40 10.437 -5.428 -3.448 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.357 -6.161 -4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.371 -4.431 -4.303 1.00 0.00 H new ATOM 673 N GLY A 41 10.333 -7.001 -1.097 1.00 0.00 N ATOM 674 CA GLY A 41 10.088 -8.129 -0.212 1.00 0.00 C ATOM 675 C GLY A 41 9.010 -9.099 -0.711 1.00 0.00 C ATOM 676 O GLY A 41 9.046 -9.529 -1.864 1.00 0.00 O ATOM 0 H GLY A 41 9.708 -6.221 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.020 -8.678 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.795 -7.751 0.767 1.00 0.00 H new ATOM 680 N GLY A 42 8.053 -9.435 0.173 1.00 0.00 N ATOM 681 CA GLY A 42 6.959 -10.370 -0.066 1.00 0.00 C ATOM 682 C GLY A 42 5.638 -9.736 -0.516 1.00 0.00 C ATOM 683 O GLY A 42 5.205 -9.981 -1.642 1.00 0.00 O ATOM 0 H GLY A 42 8.028 -9.040 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.275 -11.087 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.779 -10.933 0.850 1.00 0.00 H new ATOM 687 N ASN A 43 4.986 -8.943 0.354 1.00 0.00 N ATOM 688 CA ASN A 43 3.691 -8.302 0.074 1.00 0.00 C ATOM 689 C ASN A 43 3.842 -7.144 -0.929 1.00 0.00 C ATOM 690 O ASN A 43 4.863 -7.031 -1.612 1.00 0.00 O ATOM 691 CB ASN A 43 3.005 -7.824 1.381 1.00 0.00 C ATOM 692 CG ASN A 43 3.219 -8.741 2.592 1.00 0.00 C ATOM 693 OD1 ASN A 43 2.430 -9.650 2.838 1.00 0.00 O ATOM 694 ND2 ASN A 43 4.291 -8.501 3.354 1.00 0.00 N ATOM 0 H ASN A 43 5.350 -8.728 1.282 1.00 0.00 H new ATOM 0 HA ASN A 43 3.047 -9.053 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.376 -6.829 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.934 -7.729 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.476 -9.082 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.924 -7.737 3.118 1.00 0.00 H new ATOM 701 N SER A 44 2.822 -6.274 -1.018 1.00 0.00 N ATOM 702 CA SER A 44 2.823 -5.131 -1.921 1.00 0.00 C ATOM 703 C SER A 44 2.031 -3.960 -1.330 1.00 0.00 C ATOM 704 O SER A 44 2.620 -3.054 -0.740 1.00 0.00 O ATOM 705 CB SER A 44 2.260 -5.562 -3.292 1.00 0.00 C ATOM 706 OG SER A 44 2.342 -4.504 -4.225 1.00 0.00 O ATOM 0 H SER A 44 1.973 -6.352 -0.458 1.00 0.00 H new ATOM 0 HA SER A 44 3.847 -4.783 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.815 -6.424 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.222 -5.875 -3.181 1.00 0.00 H new ATOM 0 HG SER A 44 1.982 -4.799 -5.087 1.00 0.00 H new ATOM 712 N ASN A 45 0.702 -3.999 -1.518 1.00 0.00 N ATOM 713 CA ASN A 45 -0.298 -2.992 -1.129 1.00 0.00 C ATOM 714 C ASN A 45 0.217 -1.558 -1.419 1.00 0.00 C ATOM 715 O ASN A 45 0.059 -0.628 -0.631 1.00 0.00 O ATOM 716 CB ASN A 45 -0.798 -3.290 0.306 1.00 0.00 C ATOM 717 CG ASN A 45 -1.851 -2.317 0.860 1.00 0.00 C ATOM 718 OD1 ASN A 45 -2.470 -1.553 0.122 1.00 0.00 O ATOM 719 ND2 ASN A 45 -2.063 -2.346 2.179 1.00 0.00 N ATOM 0 H ASN A 45 0.266 -4.796 -1.981 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.194 -3.054 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.215 -4.297 0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.060 -3.289 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.754 -1.723 2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.534 -2.991 2.766 1.00 0.00 H new ATOM 726 N ARG A 46 0.893 -1.431 -2.572 1.00 0.00 N ATOM 727 CA ARG A 46 1.503 -0.252 -3.168 1.00 0.00 C ATOM 728 C ARG A 46 0.507 0.443 -4.104 1.00 0.00 C ATOM 729 O ARG A 46 0.116 -0.157 -5.106 1.00 0.00 O ATOM 730 CB ARG A 46 2.754 -0.745 -3.909 1.00 0.00 C ATOM 731 CG ARG A 46 3.555 0.370 -4.596 1.00 0.00 C ATOM 732 CD ARG A 46 4.840 -0.219 -5.195 1.00 0.00 C ATOM 733 NE ARG A 46 5.440 0.677 -6.193 1.00 0.00 N ATOM 734 CZ ARG A 46 6.497 0.368 -6.967 1.00 0.00 C ATOM 735 NH1 ARG A 46 7.243 -0.722 -6.724 1.00 0.00 N ATOM 736 NH2 ARG A 46 6.805 1.158 -8.005 1.00 0.00 N ATOM 0 H ARG A 46 1.036 -2.247 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 46 1.781 0.490 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.403 -1.261 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.454 -1.477 -4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.955 0.834 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.801 1.152 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.559 -0.408 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.617 -1.181 -5.658 1.00 0.00 H new ATOM 0 HE ARG A 46 5.025 1.602 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.013 -1.333 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.040 -0.938 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.240 1.984 -8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.604 0.933 -8.598 1.00 0.00 H new ATOM 750 N PHE A 47 0.117 1.696 -3.822 1.00 0.00 N ATOM 751 CA PHE A 47 -0.826 2.457 -4.610 1.00 0.00 C ATOM 752 C PHE A 47 -0.344 3.909 -4.735 1.00 0.00 C ATOM 753 O PHE A 47 -0.053 4.550 -3.730 1.00 0.00 O ATOM 754 CB PHE A 47 -2.156 2.313 -3.881 1.00 0.00 C ATOM 755 CG PHE A 47 -2.822 0.975 -4.174 1.00 0.00 C ATOM 756 CD1 PHE A 47 -3.375 0.715 -5.450 1.00 0.00 C ATOM 757 CD2 PHE A 47 -2.817 -0.045 -3.194 1.00 0.00 C ATOM 758 CE1 PHE A 47 -3.938 -0.548 -5.734 1.00 0.00 C ATOM 759 CE2 PHE A 47 -3.339 -1.320 -3.495 1.00 0.00 C ATOM 760 CZ PHE A 47 -3.914 -1.567 -4.759 1.00 0.00 C ATOM 0 H PHE A 47 0.467 2.209 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.928 2.103 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.994 2.411 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.822 3.123 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.366 1.484 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.412 0.153 -2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.387 -0.734 -6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.298 -2.108 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.336 -2.536 -4.980 1.00 0.00 H new ATOM 770 N LYS A 48 -0.278 4.422 -5.974 1.00 0.00 N ATOM 771 CA LYS A 48 0.184 5.751 -6.350 1.00 0.00 C ATOM 772 C LYS A 48 -0.782 6.876 -5.965 1.00 0.00 C ATOM 773 O LYS A 48 -0.314 7.932 -5.541 1.00 0.00 O ATOM 774 CB LYS A 48 0.457 5.732 -7.865 1.00 0.00 C ATOM 775 CG LYS A 48 1.879 5.255 -8.214 1.00 0.00 C ATOM 776 CD LYS A 48 2.156 3.803 -7.785 1.00 0.00 C ATOM 777 CE LYS A 48 3.524 3.300 -8.270 1.00 0.00 C ATOM 778 NZ LYS A 48 4.641 4.018 -7.629 1.00 0.00 N ATOM 0 H LYS A 48 -0.567 3.877 -6.787 1.00 0.00 H new ATOM 0 HA LYS A 48 1.092 5.976 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.269 5.080 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.306 6.733 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.031 5.344 -9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.604 5.913 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.111 3.733 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.373 3.155 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.612 2.234 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.591 3.419 -9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.194 4.518 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.265 4.705 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.253 3.338 -7.135 1.00 0.00 H new ATOM 792 N THR A 49 -2.096 6.695 -6.156 1.00 0.00 N ATOM 793 CA THR A 49 -3.114 7.686 -5.787 1.00 0.00 C ATOM 794 C THR A 49 -4.175 6.990 -4.920 1.00 0.00 C ATOM 795 O THR A 49 -4.387 5.782 -5.019 1.00 0.00 O ATOM 796 CB THR A 49 -3.700 8.405 -7.024 1.00 0.00 C ATOM 797 OG1 THR A 49 -3.938 7.519 -8.096 1.00 0.00 O ATOM 798 CG2 THR A 49 -2.746 9.509 -7.506 1.00 0.00 C ATOM 0 H THR A 49 -2.484 5.850 -6.574 1.00 0.00 H new ATOM 0 HA THR A 49 -2.661 8.485 -5.200 1.00 0.00 H new ATOM 0 HB THR A 49 -4.652 8.834 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.309 8.016 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.174 10.005 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.601 10.238 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.786 9.068 -7.774 1.00 0.00 H new ATOM 806 N ILE A 50 -4.837 7.772 -4.055 1.00 0.00 N ATOM 807 CA ILE A 50 -5.855 7.322 -3.103 1.00 0.00 C ATOM 808 C ILE A 50 -7.123 6.773 -3.769 1.00 0.00 C ATOM 809 O ILE A 50 -7.801 5.913 -3.204 1.00 0.00 O ATOM 810 CB ILE A 50 -6.188 8.484 -2.124 1.00 0.00 C ATOM 811 CG1 ILE A 50 -4.908 9.007 -1.428 1.00 0.00 C ATOM 812 CG2 ILE A 50 -7.211 8.035 -1.060 1.00 0.00 C ATOM 813 CD1 ILE A 50 -5.163 10.160 -0.447 1.00 0.00 C ATOM 0 H ILE A 50 -4.668 8.776 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.437 6.479 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.624 9.292 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.435 8.184 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.202 9.339 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.426 8.866 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.131 7.718 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.800 7.203 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.220 10.472 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.607 11.000 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.844 9.827 0.336 1.00 0.00 H new ATOM 825 N GLU A 51 -7.426 7.235 -4.983 1.00 0.00 N ATOM 826 CA GLU A 51 -8.610 6.831 -5.732 1.00 0.00 C ATOM 827 C GLU A 51 -8.368 5.436 -6.260 1.00 0.00 C ATOM 828 O GLU A 51 -9.118 4.506 -5.985 1.00 0.00 O ATOM 829 CB GLU A 51 -8.901 7.854 -6.843 1.00 0.00 C ATOM 830 CG GLU A 51 -9.002 9.277 -6.276 1.00 0.00 C ATOM 831 CD GLU A 51 -9.640 10.243 -7.275 1.00 0.00 C ATOM 832 OE1 GLU A 51 -8.901 10.709 -8.171 1.00 0.00 O ATOM 833 OE2 GLU A 51 -10.857 10.496 -7.134 1.00 0.00 O ATOM 0 H GLU A 51 -6.845 7.911 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.497 6.809 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.111 7.814 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.832 7.593 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.591 9.262 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.007 9.634 -6.010 1.00 0.00 H new ATOM 840 N GLU A 52 -7.267 5.348 -6.993 1.00 0.00 N ATOM 841 CA GLU A 52 -6.662 4.175 -7.596 1.00 0.00 C ATOM 842 C GLU A 52 -6.517 3.074 -6.542 1.00 0.00 C ATOM 843 O GLU A 52 -6.689 1.894 -6.845 1.00 0.00 O ATOM 844 CB GLU A 52 -5.293 4.625 -8.135 1.00 0.00 C ATOM 845 CG GLU A 52 -5.394 5.205 -9.556 1.00 0.00 C ATOM 846 CD GLU A 52 -5.907 4.191 -10.584 1.00 0.00 C ATOM 847 OE1 GLU A 52 -5.418 3.040 -10.554 1.00 0.00 O ATOM 848 OE2 GLU A 52 -6.781 4.583 -11.389 1.00 0.00 O ATOM 0 H GLU A 52 -6.722 6.185 -7.199 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.270 3.766 -8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.869 5.375 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.608 3.777 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.059 6.068 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.412 5.563 -9.866 1.00 0.00 H new ATOM 855 N CYS A 53 -6.187 3.473 -5.306 1.00 0.00 N ATOM 856 CA CYS A 53 -6.083 2.587 -4.168 1.00 0.00 C ATOM 857 C CYS A 53 -7.484 2.065 -3.896 1.00 0.00 C ATOM 858 O CYS A 53 -7.702 0.860 -3.988 1.00 0.00 O ATOM 859 CB CYS A 53 -5.543 3.347 -2.959 1.00 0.00 C ATOM 860 SG CYS A 53 -4.834 2.348 -1.622 1.00 0.00 S ATOM 0 H CYS A 53 -5.983 4.446 -5.078 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.396 1.764 -4.365 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.779 4.042 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.353 3.946 -2.544 1.00 0.00 H new ATOM 865 N ARG A 54 -8.436 2.983 -3.634 1.00 0.00 N ATOM 866 CA ARG A 54 -9.811 2.571 -3.350 1.00 0.00 C ATOM 867 C ARG A 54 -10.495 1.768 -4.470 1.00 0.00 C ATOM 868 O ARG A 54 -11.421 1.028 -4.168 1.00 0.00 O ATOM 869 CB ARG A 54 -10.721 3.741 -2.962 1.00 0.00 C ATOM 870 CG ARG A 54 -10.411 4.377 -1.597 1.00 0.00 C ATOM 871 CD ARG A 54 -11.689 5.042 -1.063 1.00 0.00 C ATOM 872 NE ARG A 54 -12.024 6.256 -1.825 1.00 0.00 N ATOM 873 CZ ARG A 54 -11.536 7.492 -1.608 1.00 0.00 C ATOM 874 NH1 ARG A 54 -10.710 7.746 -0.582 1.00 0.00 N ATOM 875 NH2 ARG A 54 -11.883 8.489 -2.434 1.00 0.00 N ATOM 0 H ARG A 54 -8.277 3.990 -3.615 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.685 1.904 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.647 4.511 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.754 3.393 -2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.059 3.619 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.614 5.114 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.518 4.336 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.556 5.296 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.690 6.151 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.439 6.995 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.352 8.690 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.511 8.307 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.519 9.429 -2.279 1.00 0.00 H new ATOM 889 N ARG A 55 -10.109 1.904 -5.741 1.00 0.00 N ATOM 890 CA ARG A 55 -10.700 1.151 -6.847 1.00 0.00 C ATOM 891 C ARG A 55 -10.626 -0.373 -6.648 1.00 0.00 C ATOM 892 O ARG A 55 -11.560 -1.106 -6.971 1.00 0.00 O ATOM 893 CB ARG A 55 -9.920 1.475 -8.130 1.00 0.00 C ATOM 894 CG ARG A 55 -10.284 2.848 -8.708 1.00 0.00 C ATOM 895 CD ARG A 55 -9.757 3.067 -10.134 1.00 0.00 C ATOM 896 NE ARG A 55 -10.313 2.103 -11.098 1.00 0.00 N ATOM 897 CZ ARG A 55 -9.704 0.999 -11.576 1.00 0.00 C ATOM 898 NH1 ARG A 55 -8.476 0.634 -11.171 1.00 0.00 N ATOM 899 NH2 ARG A 55 -10.344 0.242 -12.478 1.00 0.00 N ATOM 0 H ARG A 55 -9.371 2.545 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.749 1.440 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.851 1.445 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.119 0.706 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.368 2.958 -8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.885 3.626 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.001 4.079 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.670 2.987 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.256 2.289 -11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.977 1.198 -10.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.042 -0.207 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.278 0.504 -12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.897 -0.596 -12.849 1.00 0.00 H new ATOM 913 N THR A 56 -9.476 -0.812 -6.136 1.00 0.00 N ATOM 914 CA THR A 56 -9.062 -2.185 -5.885 1.00 0.00 C ATOM 915 C THR A 56 -9.231 -2.582 -4.415 1.00 0.00 C ATOM 916 O THR A 56 -9.591 -3.723 -4.145 1.00 0.00 O ATOM 917 CB THR A 56 -7.585 -2.314 -6.328 1.00 0.00 C ATOM 918 OG1 THR A 56 -7.469 -1.994 -7.703 1.00 0.00 O ATOM 919 CG2 THR A 56 -7.027 -3.728 -6.118 1.00 0.00 C ATOM 0 H THR A 56 -8.747 -0.152 -5.863 1.00 0.00 H new ATOM 0 HA THR A 56 -9.696 -2.866 -6.453 1.00 0.00 H new ATOM 0 HB THR A 56 -7.011 -1.623 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.532 -2.075 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.988 -3.761 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.083 -3.988 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.613 -4.440 -6.698 1.00 0.00 H new ATOM 927 N CYS A 57 -8.970 -1.666 -3.472 1.00 0.00 N ATOM 928 CA CYS A 57 -9.043 -1.859 -2.043 1.00 0.00 C ATOM 929 C CYS A 57 -10.428 -1.601 -1.459 1.00 0.00 C ATOM 930 O CYS A 57 -10.694 -2.061 -0.349 1.00 0.00 O ATOM 931 CB CYS A 57 -8.021 -0.910 -1.421 1.00 0.00 C ATOM 932 SG CYS A 57 -6.303 -1.171 -1.940 1.00 0.00 S ATOM 0 H CYS A 57 -8.686 -0.717 -3.717 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.830 -2.904 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.305 0.114 -1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.074 -1.006 -0.337 1.00 0.00 H new ATOM 937 N ILE A 58 -11.285 -0.864 -2.181 1.00 0.00 N ATOM 938 CA ILE A 58 -12.656 -0.559 -1.732 1.00 0.00 C ATOM 939 C ILE A 58 -13.687 -0.768 -2.863 1.00 0.00 C ATOM 940 O ILE A 58 -13.378 -0.752 -4.053 1.00 0.00 O ATOM 941 CB ILE A 58 -12.819 0.841 -1.074 1.00 0.00 C ATOM 942 CG1 ILE A 58 -11.587 1.209 -0.212 1.00 0.00 C ATOM 943 CG2 ILE A 58 -14.088 0.898 -0.188 1.00 0.00 C ATOM 944 CD1 ILE A 58 -11.795 2.240 0.908 1.00 0.00 C ATOM 0 H ILE A 58 -11.051 -0.463 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 58 -12.859 -1.279 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.913 1.561 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.205 0.293 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.810 1.585 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -14.176 1.888 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.968 0.696 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.015 0.149 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.853 2.404 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.139 3.180 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.540 1.868 1.611 1.00 0.00 H new ATOM 956 N ARG A 59 -14.934 -0.995 -2.443 1.00 0.00 N ATOM 957 CA ARG A 59 -16.142 -1.183 -3.232 1.00 0.00 C ATOM 958 C ARG A 59 -17.385 -0.758 -2.429 1.00 0.00 C ATOM 959 O ARG A 59 -17.327 -0.577 -1.212 1.00 0.00 O ATOM 960 CB ARG A 59 -16.265 -2.644 -3.708 1.00 0.00 C ATOM 961 CG ARG A 59 -16.350 -2.614 -5.233 1.00 0.00 C ATOM 962 CD ARG A 59 -16.522 -4.010 -5.837 1.00 0.00 C ATOM 963 NE ARG A 59 -16.534 -3.954 -7.306 1.00 0.00 N ATOM 964 CZ ARG A 59 -16.312 -4.989 -8.138 1.00 0.00 C ATOM 965 NH1 ARG A 59 -16.054 -6.222 -7.671 1.00 0.00 N ATOM 966 NH2 ARG A 59 -16.347 -4.784 -9.462 1.00 0.00 N ATOM 0 H ARG A 59 -15.136 -1.057 -1.445 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.075 -0.548 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.405 -3.229 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.151 -3.115 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.188 -1.985 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.446 -2.156 -5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.712 -4.657 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.452 -4.452 -5.479 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.728 -3.049 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.023 -6.390 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.889 -6.990 -8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.540 -3.852 -9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.180 -5.560 -10.103 1.00 0.00 H new ATOM 980 N LYS A 60 -18.516 -0.602 -3.133 1.00 0.00 N ATOM 981 CA LYS A 60 -19.811 -0.210 -2.581 1.00 0.00 C ATOM 982 C LYS A 60 -20.677 -1.462 -2.385 1.00 0.00 C ATOM 983 O LYS A 60 -21.159 -1.655 -1.247 1.00 0.00 O ATOM 984 CB LYS A 60 -20.477 0.804 -3.531 1.00 0.00 C ATOM 985 CG LYS A 60 -21.863 1.290 -3.068 1.00 0.00 C ATOM 986 CD LYS A 60 -21.898 1.926 -1.667 1.00 0.00 C ATOM 987 CE LYS A 60 -20.958 3.133 -1.534 1.00 0.00 C ATOM 988 NZ LYS A 60 -21.112 3.796 -0.227 1.00 0.00 N ATOM 989 OXT LYS A 60 -20.855 -2.205 -3.377 1.00 0.00 O ATOM 0 H LYS A 60 -18.549 -0.753 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.687 0.268 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -19.820 1.667 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.575 0.350 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -22.235 2.017 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -22.551 0.445 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -22.917 2.239 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -21.624 1.175 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.925 2.807 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.165 3.846 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.463 4.607 -0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.092 4.129 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.890 3.121 0.533 1.00 0.00 H new