USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 395 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 22 ASN : amide:sc= -0.137 K(o=-2.6,f=-3.4) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.43 K(o=-2.6,f=-4.9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.152) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.819 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.87 X(o=-2.9,f=-2.5) USER MOD Single : A 23 GLN : amide:sc= -1.76! C(o=-1.8!,f=-4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.14) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= 0.436 (180deg=0.287) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 36 SER OG : rot -63:sc= 0.556 USER MOD Single : A 41 TYR OH : rot 180:sc=-0.00948 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.73 K(o=-2.7,f=-14!) USER MOD Single : A 48 GLN : amide:sc= -4.15! C(o=-4.2!,f=-2.1!) USER MOD Single : A 53 TYR OH : rot -122:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.414 -3.103 -1.665 1.00 0.00 N ATOM 53 CA CYS A 4 8.129 -4.135 -2.405 1.00 0.00 C ATOM 54 C CYS A 4 8.827 -3.543 -3.627 1.00 0.00 C ATOM 55 O CYS A 4 8.254 -2.726 -4.348 1.00 0.00 O ATOM 56 CB CYS A 4 7.165 -5.240 -2.841 1.00 0.00 C ATOM 57 SG CYS A 4 5.557 -4.631 -3.441 1.00 0.00 S ATOM 0 HA CYS A 4 8.886 -4.561 -1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.636 -5.828 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.996 -5.912 -2.000 1.00 0.00 H new ATOM 62 N LYS A 5 10.067 -3.962 -3.853 1.00 0.00 N ATOM 63 CA LYS A 5 10.845 -3.476 -4.987 1.00 0.00 C ATOM 64 C LYS A 5 12.090 -4.331 -5.199 1.00 0.00 C ATOM 65 O LYS A 5 12.415 -5.189 -4.378 1.00 0.00 O ATOM 66 CB LYS A 5 11.247 -2.016 -4.768 1.00 0.00 C ATOM 67 CG LYS A 5 12.341 -1.836 -3.730 1.00 0.00 C ATOM 68 CD LYS A 5 11.863 -0.998 -2.556 1.00 0.00 C ATOM 69 CE LYS A 5 12.932 -0.017 -2.100 1.00 0.00 C ATOM 70 NZ LYS A 5 13.989 -0.685 -1.291 1.00 0.00 N ATOM 0 H LYS A 5 10.556 -4.638 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 5 10.222 -3.545 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.583 -1.594 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.369 -1.448 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.668 -2.812 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.206 -1.359 -4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.964 -0.452 -2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.591 -1.652 -1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.386 0.456 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.470 0.775 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.699 0.017 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.560 -1.115 -0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.447 -1.424 -1.861 1.00 0.00 H new ATOM 84 N LYS A 6 12.785 -4.091 -6.306 1.00 0.00 N ATOM 85 CA LYS A 6 13.996 -4.837 -6.626 1.00 0.00 C ATOM 86 C LYS A 6 15.018 -3.943 -7.321 1.00 0.00 C ATOM 87 O LYS A 6 14.809 -3.508 -8.454 1.00 0.00 O ATOM 88 CB LYS A 6 13.662 -6.035 -7.517 1.00 0.00 C ATOM 89 CG LYS A 6 12.928 -7.148 -6.790 1.00 0.00 C ATOM 90 CD LYS A 6 12.862 -8.414 -7.629 1.00 0.00 C ATOM 91 CE LYS A 6 13.917 -9.422 -7.201 1.00 0.00 C ATOM 92 NZ LYS A 6 15.265 -9.071 -7.728 1.00 0.00 N ATOM 0 H LYS A 6 12.530 -3.385 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 6 14.428 -5.196 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.052 -5.696 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.586 -6.434 -7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.431 -7.361 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.918 -6.820 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.872 -8.861 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.003 -8.163 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.954 -9.470 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.636 -10.414 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.924 -9.855 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.204 -8.901 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.610 -8.212 -7.254 1.00 0.00 H new ATOM 106 N VAL A 7 16.125 -3.673 -6.636 1.00 0.00 N ATOM 107 CA VAL A 7 17.180 -2.832 -7.188 1.00 0.00 C ATOM 108 C VAL A 7 17.994 -3.588 -8.233 1.00 0.00 C ATOM 109 O VAL A 7 18.148 -4.807 -8.153 1.00 0.00 O ATOM 110 CB VAL A 7 18.128 -2.323 -6.086 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.016 -3.451 -5.582 1.00 0.00 C ATOM 112 CG2 VAL A 7 18.966 -1.162 -6.598 1.00 0.00 C ATOM 0 H VAL A 7 16.314 -4.025 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 7 16.691 -1.979 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 7 17.526 -1.966 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.679 -3.072 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.395 -4.248 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.611 -3.842 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.630 -0.815 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.560 -1.490 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.310 -0.347 -6.904 1.00 0.00 H new ATOM 122 N TYR A 8 18.513 -2.856 -9.213 1.00 0.00 N ATOM 123 CA TYR A 8 19.309 -3.458 -10.276 1.00 0.00 C ATOM 124 C TYR A 8 20.778 -3.068 -10.143 1.00 0.00 C ATOM 125 O TYR A 8 21.224 -2.077 -10.721 1.00 0.00 O ATOM 126 CB TYR A 8 18.779 -3.028 -11.645 1.00 0.00 C ATOM 127 CG TYR A 8 18.803 -4.132 -12.678 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.721 -5.171 -12.591 1.00 0.00 C ATOM 129 CD2 TYR A 8 17.907 -4.137 -13.739 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.748 -6.182 -13.533 1.00 0.00 C ATOM 131 CE2 TYR A 8 17.925 -5.144 -14.685 1.00 0.00 C ATOM 132 CZ TYR A 8 18.847 -6.164 -14.578 1.00 0.00 C ATOM 133 OH TYR A 8 18.869 -7.169 -15.517 1.00 0.00 O ATOM 0 H TYR A 8 18.397 -1.846 -9.293 1.00 0.00 H new ATOM 0 HA TYR A 8 19.229 -4.541 -10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.756 -2.669 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 8 19.373 -2.189 -12.008 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.426 -5.189 -11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 8 17.184 -3.340 -13.826 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.470 -6.981 -13.452 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.221 -5.132 -15.504 1.00 0.00 H new ATOM 0 HH TYR A 8 18.170 -7.008 -16.185 1.00 0.00 H new ATOM 143 N GLU A 9 21.525 -3.857 -9.376 1.00 0.00 N ATOM 144 CA GLU A 9 22.944 -3.595 -9.166 1.00 0.00 C ATOM 145 C GLU A 9 23.707 -3.637 -10.487 1.00 0.00 C ATOM 146 O GLU A 9 24.828 -3.139 -10.585 1.00 0.00 O ATOM 147 CB GLU A 9 23.535 -4.615 -8.190 1.00 0.00 C ATOM 148 CG GLU A 9 22.705 -4.805 -6.932 1.00 0.00 C ATOM 149 CD GLU A 9 23.430 -5.611 -5.871 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.359 -5.061 -5.242 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.069 -6.789 -5.670 1.00 0.00 O ATOM 0 H GLU A 9 21.171 -4.682 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 9 23.043 -2.596 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.636 -5.575 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.539 -4.297 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.441 -3.829 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.772 -5.306 -7.189 1.00 0.00 H new ATOM 158 N ASN A 10 23.090 -4.237 -11.500 1.00 0.00 N ATOM 159 CA ASN A 10 23.711 -4.346 -12.816 1.00 0.00 C ATOM 160 C ASN A 10 22.998 -3.456 -13.829 1.00 0.00 C ATOM 161 O ASN A 10 22.450 -3.940 -14.820 1.00 0.00 O ATOM 162 CB ASN A 10 23.689 -5.800 -13.293 1.00 0.00 C ATOM 163 CG ASN A 10 24.199 -6.763 -12.239 1.00 0.00 C ATOM 164 OD1 ASN A 10 25.405 -6.977 -12.109 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.281 -7.349 -11.479 1.00 0.00 N ATOM 0 H ASN A 10 22.162 -4.655 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 10 24.746 -4.013 -12.732 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.670 -6.074 -13.568 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.298 -5.894 -14.192 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.564 -8.006 -10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.293 -7.142 -11.622 1.00 0.00 H new ATOM 172 N TYR A 11 23.010 -2.152 -13.574 1.00 0.00 N ATOM 173 CA TYR A 11 22.364 -1.194 -14.463 1.00 0.00 C ATOM 174 C TYR A 11 23.075 0.155 -14.419 1.00 0.00 C ATOM 175 O TYR A 11 23.481 0.638 -13.362 1.00 0.00 O ATOM 176 CB TYR A 11 20.894 -1.020 -14.078 1.00 0.00 C ATOM 177 CG TYR A 11 19.985 -0.761 -15.258 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.548 -1.804 -16.065 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.565 0.526 -15.567 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.718 -1.572 -17.145 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.734 0.768 -16.644 1.00 0.00 C ATOM 182 CZ TYR A 11 18.314 -0.285 -17.430 1.00 0.00 C ATOM 183 OH TYR A 11 17.487 -0.049 -18.505 1.00 0.00 O ATOM 0 H TYR A 11 23.460 -1.735 -12.759 1.00 0.00 H new ATOM 0 HA TYR A 11 22.423 -1.583 -15.479 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.555 -1.916 -13.559 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.807 -0.192 -13.375 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.862 -2.813 -15.844 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.894 1.353 -14.955 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.388 -2.394 -17.762 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.415 1.775 -16.869 1.00 0.00 H new ATOM 0 HH TYR A 11 17.296 0.910 -18.566 1.00 0.00 H new ATOM 193 N PRO A 12 23.231 0.779 -15.596 1.00 0.00 N ATOM 194 CA PRO A 12 23.892 2.082 -15.720 1.00 0.00 C ATOM 195 C PRO A 12 23.064 3.212 -15.119 1.00 0.00 C ATOM 196 O PRO A 12 21.911 3.421 -15.500 1.00 0.00 O ATOM 197 CB PRO A 12 24.030 2.267 -17.233 1.00 0.00 C ATOM 198 CG PRO A 12 22.938 1.439 -17.818 1.00 0.00 C ATOM 199 CD PRO A 12 22.773 0.262 -16.896 1.00 0.00 C ATOM 0 HA PRO A 12 24.841 2.110 -15.185 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.926 3.315 -17.515 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.008 1.938 -17.584 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.012 2.010 -17.892 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.193 1.113 -18.826 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.736 -0.072 -16.853 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.369 -0.590 -17.222 1.00 0.00 H new ATOM 207 N VAL A 13 23.658 3.939 -14.178 1.00 0.00 N ATOM 208 CA VAL A 13 22.975 5.050 -13.526 1.00 0.00 C ATOM 209 C VAL A 13 22.724 6.192 -14.504 1.00 0.00 C ATOM 210 O VAL A 13 21.884 7.059 -14.260 1.00 0.00 O ATOM 211 CB VAL A 13 23.786 5.582 -12.329 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.194 4.441 -11.411 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.006 6.351 -12.813 1.00 0.00 C ATOM 0 H VAL A 13 24.610 3.779 -13.850 1.00 0.00 H new ATOM 0 HA VAL A 13 22.020 4.667 -13.167 1.00 0.00 H new ATOM 0 HB VAL A 13 23.156 6.266 -11.760 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.766 4.836 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.302 3.938 -11.038 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.807 3.730 -11.965 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.568 6.720 -11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.640 5.692 -13.406 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.686 7.193 -13.426 1.00 0.00 H new ATOM 223 N SER A 14 23.457 6.186 -15.612 1.00 0.00 N ATOM 224 CA SER A 14 23.317 7.224 -16.627 1.00 0.00 C ATOM 225 C SER A 14 21.925 7.189 -17.251 1.00 0.00 C ATOM 226 O SER A 14 21.222 8.199 -17.287 1.00 0.00 O ATOM 227 CB SER A 14 24.380 7.051 -17.714 1.00 0.00 C ATOM 228 OG SER A 14 25.234 8.180 -17.776 1.00 0.00 O ATOM 0 H SER A 14 24.154 5.474 -15.830 1.00 0.00 H new ATOM 0 HA SER A 14 23.456 8.191 -16.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.969 6.156 -17.512 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.897 6.903 -18.680 1.00 0.00 H new ATOM 0 HG SER A 14 25.905 8.044 -18.477 1.00 0.00 H new ATOM 234 N LYS A 15 21.533 6.018 -17.742 1.00 0.00 N ATOM 235 CA LYS A 15 20.225 5.848 -18.363 1.00 0.00 C ATOM 236 C LYS A 15 19.108 6.202 -17.387 1.00 0.00 C ATOM 237 O LYS A 15 17.990 6.520 -17.795 1.00 0.00 O ATOM 238 CB LYS A 15 20.053 4.408 -18.852 1.00 0.00 C ATOM 239 CG LYS A 15 20.223 4.250 -20.353 1.00 0.00 C ATOM 240 CD LYS A 15 19.622 2.946 -20.848 1.00 0.00 C ATOM 241 CE LYS A 15 20.696 1.992 -21.350 1.00 0.00 C ATOM 242 NZ LYS A 15 20.186 1.099 -22.427 1.00 0.00 N ATOM 0 H LYS A 15 22.103 5.172 -17.722 1.00 0.00 H new ATOM 0 HA LYS A 15 20.165 6.524 -19.216 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.778 3.772 -18.344 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.063 4.053 -18.568 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.748 5.088 -20.864 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.283 4.282 -20.605 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.062 2.473 -20.041 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.913 3.152 -21.650 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.544 2.565 -21.725 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.061 1.388 -20.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.948 0.465 -22.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.393 0.534 -22.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.861 1.674 -23.230 1.00 0.00 H new ATOM 256 N CYS A 16 19.417 6.145 -16.096 1.00 0.00 N ATOM 257 CA CYS A 16 18.440 6.460 -15.060 1.00 0.00 C ATOM 258 C CYS A 16 18.203 7.966 -14.976 1.00 0.00 C ATOM 259 O CYS A 16 17.063 8.426 -15.003 1.00 0.00 O ATOM 260 CB CYS A 16 18.913 5.931 -13.705 1.00 0.00 C ATOM 261 SG CYS A 16 18.333 4.247 -13.321 1.00 0.00 S ATOM 0 H CYS A 16 20.337 5.883 -15.742 1.00 0.00 H new ATOM 0 HA CYS A 16 17.500 5.976 -15.323 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.003 5.942 -13.683 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.571 6.609 -12.923 1.00 0.00 H new ATOM 266 N GLN A 17 19.289 8.725 -14.873 1.00 0.00 N ATOM 267 CA GLN A 17 19.200 10.177 -14.784 1.00 0.00 C ATOM 268 C GLN A 17 18.614 10.766 -16.064 1.00 0.00 C ATOM 269 O GLN A 17 18.205 11.927 -16.094 1.00 0.00 O ATOM 270 CB GLN A 17 20.580 10.779 -14.517 1.00 0.00 C ATOM 271 CG GLN A 17 21.127 10.459 -13.135 1.00 0.00 C ATOM 272 CD GLN A 17 22.365 9.585 -13.185 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.168 9.681 -14.113 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.526 8.728 -12.184 1.00 0.00 N ATOM 0 H GLN A 17 20.241 8.358 -14.849 1.00 0.00 H new ATOM 0 HA GLN A 17 18.537 10.425 -13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.279 10.412 -15.269 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.524 11.861 -14.635 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.364 11.389 -12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.356 9.957 -12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.835 8.683 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.341 8.115 -12.163 1.00 0.00 H new ATOM 283 N LEU A 18 18.579 9.959 -17.118 1.00 0.00 N ATOM 284 CA LEU A 18 18.044 10.400 -18.401 1.00 0.00 C ATOM 285 C LEU A 18 16.539 10.636 -18.312 1.00 0.00 C ATOM 286 O LEU A 18 15.743 9.750 -18.622 1.00 0.00 O ATOM 287 CB LEU A 18 18.345 9.363 -19.485 1.00 0.00 C ATOM 288 CG LEU A 18 19.579 9.634 -20.348 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.041 8.357 -21.033 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.284 10.717 -21.375 1.00 0.00 C ATOM 0 H LEU A 18 18.915 8.996 -17.110 1.00 0.00 H new ATOM 0 HA LEU A 18 18.526 11.342 -18.663 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.467 8.391 -19.006 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.477 9.289 -20.140 1.00 0.00 H new ATOM 0 HG LEU A 18 20.382 9.986 -19.701 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.920 8.568 -21.643 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.293 7.611 -20.280 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.242 7.975 -21.668 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.173 10.897 -21.980 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.466 10.395 -22.019 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.002 11.637 -20.863 1.00 0.00 H new ATOM 302 N ARG A 19 16.158 11.837 -17.889 1.00 0.00 N ATOM 303 CA ARG A 19 14.749 12.190 -17.761 1.00 0.00 C ATOM 304 C ARG A 19 14.066 12.204 -19.125 1.00 0.00 C ATOM 305 O ARG A 19 12.850 12.033 -19.223 1.00 0.00 O ATOM 306 CB ARG A 19 14.603 13.557 -17.091 1.00 0.00 C ATOM 307 CG ARG A 19 13.882 13.506 -15.754 1.00 0.00 C ATOM 308 CD ARG A 19 13.272 14.853 -15.398 1.00 0.00 C ATOM 309 NE ARG A 19 12.838 14.906 -14.005 1.00 0.00 N ATOM 310 CZ ARG A 19 13.670 15.058 -12.981 1.00 0.00 C ATOM 311 NH1 ARG A 19 14.974 15.170 -13.193 1.00 0.00 N ATOM 312 NH2 ARG A 19 13.199 15.097 -11.741 1.00 0.00 N ATOM 0 H ARG A 19 16.805 12.582 -17.629 1.00 0.00 H new ATOM 0 HA ARG A 19 14.266 11.435 -17.140 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.593 13.988 -16.944 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.061 14.225 -17.761 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.099 12.749 -15.791 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.581 13.204 -14.974 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.002 15.641 -15.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.421 15.050 -16.050 1.00 0.00 H new ATOM 0 HE ARG A 19 11.841 14.822 -13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.340 15.140 -14.144 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.611 15.287 -12.405 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.197 15.010 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.839 15.214 -10.956 1.00 0.00 H new ATOM 326 N ILE A 20 14.855 12.409 -20.174 1.00 0.00 N ATOM 327 CA ILE A 20 14.326 12.445 -21.532 1.00 0.00 C ATOM 328 C ILE A 20 14.035 11.039 -22.046 1.00 0.00 C ATOM 329 O ILE A 20 13.147 10.842 -22.875 1.00 0.00 O ATOM 330 CB ILE A 20 15.302 13.142 -22.498 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.828 14.438 -21.880 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.620 13.422 -23.829 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.793 15.186 -22.773 1.00 0.00 C ATOM 0 H ILE A 20 15.863 12.553 -20.110 1.00 0.00 H new ATOM 0 HA ILE A 20 13.397 13.014 -21.494 1.00 0.00 H new ATOM 0 HB ILE A 20 16.148 12.478 -22.678 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.985 15.088 -21.646 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.323 14.206 -20.937 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.322 13.915 -24.501 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.290 12.483 -24.274 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.758 14.069 -23.667 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.125 16.094 -22.270 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.655 14.554 -22.987 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.296 15.449 -23.706 1.00 0.00 H new ATOM 345 N ALA A 21 14.788 10.065 -21.547 1.00 0.00 N ATOM 346 CA ALA A 21 14.609 8.677 -21.953 1.00 0.00 C ATOM 347 C ALA A 21 14.899 7.725 -20.797 1.00 0.00 C ATOM 348 O ALA A 21 15.991 7.167 -20.700 1.00 0.00 O ATOM 349 CB ALA A 21 15.503 8.355 -23.141 1.00 0.00 C ATOM 0 H ALA A 21 15.528 10.212 -20.861 1.00 0.00 H new ATOM 0 HA ALA A 21 13.568 8.542 -22.248 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.359 7.315 -23.433 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.246 9.006 -23.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.546 8.513 -22.865 1.00 0.00 H new ATOM 355 N ASN A 22 13.915 7.546 -19.922 1.00 0.00 N ATOM 356 CA ASN A 22 14.065 6.663 -18.772 1.00 0.00 C ATOM 357 C ASN A 22 13.919 5.201 -19.185 1.00 0.00 C ATOM 358 O ASN A 22 12.851 4.609 -19.039 1.00 0.00 O ATOM 359 CB ASN A 22 13.030 7.007 -17.699 1.00 0.00 C ATOM 360 CG ASN A 22 13.576 6.840 -16.294 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.727 7.181 -16.019 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.750 6.314 -15.397 1.00 0.00 N ATOM 0 H ASN A 22 13.005 8.001 -19.988 1.00 0.00 H new ATOM 0 HA ASN A 22 15.065 6.808 -18.363 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.697 8.036 -17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.155 6.369 -17.824 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.061 6.178 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.804 6.046 -15.670 1.00 0.00 H new ATOM 369 N GLN A 23 15.001 4.627 -19.702 1.00 0.00 N ATOM 370 CA GLN A 23 14.993 3.235 -20.136 1.00 0.00 C ATOM 371 C GLN A 23 14.925 2.292 -18.940 1.00 0.00 C ATOM 372 O GLN A 23 14.781 1.079 -19.099 1.00 0.00 O ATOM 373 CB GLN A 23 16.239 2.932 -20.970 1.00 0.00 C ATOM 374 CG GLN A 23 15.994 2.978 -22.470 1.00 0.00 C ATOM 375 CD GLN A 23 15.023 4.072 -22.869 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.351 5.258 -22.817 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.820 3.679 -23.271 1.00 0.00 N ATOM 0 H GLN A 23 15.893 5.104 -19.830 1.00 0.00 H new ATOM 0 HA GLN A 23 14.106 3.077 -20.750 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.019 3.649 -20.716 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.614 1.944 -20.702 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.942 3.133 -22.985 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.606 2.015 -22.801 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.591 2.685 -23.299 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.125 4.371 -23.552 1.00 0.00 H new ATOM 386 N CYS A 24 15.031 2.856 -17.741 1.00 0.00 N ATOM 387 CA CYS A 24 14.983 2.066 -16.517 1.00 0.00 C ATOM 388 C CYS A 24 13.605 1.438 -16.329 1.00 0.00 C ATOM 389 O CYS A 24 13.470 0.216 -16.272 1.00 0.00 O ATOM 390 CB CYS A 24 15.328 2.938 -15.308 1.00 0.00 C ATOM 391 SG CYS A 24 16.804 2.389 -14.392 1.00 0.00 S ATOM 0 H CYS A 24 15.151 3.858 -17.592 1.00 0.00 H new ATOM 0 HA CYS A 24 15.719 1.266 -16.601 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.483 3.963 -15.645 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.476 2.952 -14.628 1.00 0.00 H new ATOM 396 N ASN A 25 12.584 2.284 -16.232 1.00 0.00 N ATOM 397 CA ASN A 25 11.216 1.812 -16.049 1.00 0.00 C ATOM 398 C ASN A 25 10.802 0.887 -17.190 1.00 0.00 C ATOM 399 O ASN A 25 10.101 -0.102 -16.977 1.00 0.00 O ATOM 400 CB ASN A 25 10.253 2.998 -15.964 1.00 0.00 C ATOM 401 CG ASN A 25 10.016 3.648 -17.314 1.00 0.00 C ATOM 402 OD1 ASN A 25 10.669 4.630 -17.666 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.076 3.100 -18.077 1.00 0.00 N ATOM 0 H ASN A 25 12.678 3.299 -16.277 1.00 0.00 H new ATOM 0 HA ASN A 25 11.174 1.250 -15.116 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.301 2.661 -15.554 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.654 3.739 -15.272 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.871 3.493 -18.996 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.559 2.286 -17.744 1.00 0.00 H new ATOM 410 N TYR A 26 11.241 1.216 -18.399 1.00 0.00 N ATOM 411 CA TYR A 26 10.916 0.416 -19.574 1.00 0.00 C ATOM 412 C TYR A 26 11.669 -0.911 -19.556 1.00 0.00 C ATOM 413 O TYR A 26 11.156 -1.934 -20.009 1.00 0.00 O ATOM 414 CB TYR A 26 11.252 1.188 -20.851 1.00 0.00 C ATOM 415 CG TYR A 26 10.165 1.124 -21.901 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.020 1.903 -21.792 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.284 0.284 -23.002 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.024 1.847 -22.749 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.294 0.223 -23.963 1.00 0.00 C ATOM 420 CZ TYR A 26 8.166 1.005 -23.832 1.00 0.00 C ATOM 421 OH TYR A 26 7.178 0.948 -24.788 1.00 0.00 O ATOM 0 H TYR A 26 11.823 2.031 -18.592 1.00 0.00 H new ATOM 0 HA TYR A 26 9.847 0.206 -19.554 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.439 2.231 -20.596 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.176 0.792 -21.272 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.906 2.564 -20.945 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.165 -0.331 -23.108 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.140 2.459 -22.649 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.403 -0.434 -24.813 1.00 0.00 H new ATOM 0 HH TYR A 26 7.433 0.307 -25.484 1.00 0.00 H new ATOM 431 N ASP A 27 12.887 -0.885 -19.027 1.00 0.00 N ATOM 432 CA ASP A 27 13.711 -2.085 -18.947 1.00 0.00 C ATOM 433 C ASP A 27 13.152 -3.060 -17.915 1.00 0.00 C ATOM 434 O ASP A 27 13.087 -4.266 -18.157 1.00 0.00 O ATOM 435 CB ASP A 27 15.152 -1.716 -18.590 1.00 0.00 C ATOM 436 CG ASP A 27 16.006 -2.935 -18.298 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.984 -3.413 -17.145 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.696 -3.411 -19.224 1.00 0.00 O ATOM 0 H ASP A 27 13.326 -0.046 -18.647 1.00 0.00 H new ATOM 0 HA ASP A 27 13.699 -2.571 -19.923 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.595 -1.154 -19.413 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.151 -1.060 -17.720 1.00 0.00 H new ATOM 443 N CYS A 28 12.751 -2.530 -16.765 1.00 0.00 N ATOM 444 CA CYS A 28 12.199 -3.353 -15.695 1.00 0.00 C ATOM 445 C CYS A 28 11.077 -4.245 -16.219 1.00 0.00 C ATOM 446 O CYS A 28 11.151 -5.471 -16.131 1.00 0.00 O ATOM 447 CB CYS A 28 11.676 -2.469 -14.562 1.00 0.00 C ATOM 448 SG CYS A 28 12.972 -1.851 -13.441 1.00 0.00 S ATOM 0 H CYS A 28 12.798 -1.534 -16.550 1.00 0.00 H new ATOM 0 HA CYS A 28 12.996 -3.990 -15.311 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.148 -1.618 -14.993 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.948 -3.035 -13.981 1.00 0.00 H new ATOM 453 N LYS A 29 10.039 -3.621 -16.764 1.00 0.00 N ATOM 454 CA LYS A 29 8.901 -4.357 -17.304 1.00 0.00 C ATOM 455 C LYS A 29 9.325 -5.223 -18.486 1.00 0.00 C ATOM 456 O LYS A 29 8.739 -6.277 -18.738 1.00 0.00 O ATOM 457 CB LYS A 29 7.800 -3.387 -17.737 1.00 0.00 C ATOM 458 CG LYS A 29 7.427 -2.373 -16.669 1.00 0.00 C ATOM 459 CD LYS A 29 6.820 -1.120 -17.278 1.00 0.00 C ATOM 460 CE LYS A 29 5.364 -1.335 -17.659 1.00 0.00 C ATOM 461 NZ LYS A 29 4.448 -0.478 -16.856 1.00 0.00 N ATOM 0 H LYS A 29 9.962 -2.607 -16.844 1.00 0.00 H new ATOM 0 HA LYS A 29 8.515 -5.008 -16.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.126 -2.856 -18.632 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.912 -3.957 -18.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.718 -2.821 -15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.314 -2.106 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.894 -0.297 -16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.389 -0.831 -18.161 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.230 -1.117 -18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.102 -2.383 -17.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.548 -0.361 -17.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.271 -0.927 -15.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.885 0.454 -16.708 1.00 0.00 H new ATOM 475 N LEU A 30 10.346 -4.773 -19.207 1.00 0.00 N ATOM 476 CA LEU A 30 10.849 -5.508 -20.362 1.00 0.00 C ATOM 477 C LEU A 30 11.189 -6.947 -19.986 1.00 0.00 C ATOM 478 O LEU A 30 10.721 -7.892 -20.621 1.00 0.00 O ATOM 479 CB LEU A 30 12.086 -4.813 -20.935 1.00 0.00 C ATOM 480 CG LEU A 30 12.020 -4.440 -22.416 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.028 -2.929 -22.587 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.178 -5.070 -23.176 1.00 0.00 C ATOM 0 H LEU A 30 10.842 -3.903 -19.012 1.00 0.00 H new ATOM 0 HA LEU A 30 10.066 -5.525 -21.120 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.267 -3.905 -20.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.947 -5.464 -20.783 1.00 0.00 H new ATOM 0 HG LEU A 30 11.088 -4.827 -22.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.981 -2.683 -23.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.166 -2.500 -22.076 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.943 -2.519 -22.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.115 -4.794 -24.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.121 -4.713 -22.763 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.128 -6.155 -23.082 1.00 0.00 H new ATOM 494 N ASP A 31 12.004 -7.105 -18.949 1.00 0.00 N ATOM 495 CA ASP A 31 12.404 -8.429 -18.486 1.00 0.00 C ATOM 496 C ASP A 31 11.753 -8.755 -17.146 1.00 0.00 C ATOM 497 O ASP A 31 10.892 -9.631 -17.059 1.00 0.00 O ATOM 498 CB ASP A 31 13.926 -8.510 -18.361 1.00 0.00 C ATOM 499 CG ASP A 31 14.560 -9.290 -19.497 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.417 -10.531 -19.517 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.197 -8.659 -20.366 1.00 0.00 O ATOM 0 H ASP A 31 12.401 -6.333 -18.413 1.00 0.00 H new ATOM 0 HA ASP A 31 12.068 -9.161 -19.220 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.340 -7.502 -18.341 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.185 -8.980 -17.412 1.00 0.00 H new ATOM 506 N LYS A 32 12.171 -8.046 -16.103 1.00 0.00 N ATOM 507 CA LYS A 32 11.629 -8.259 -14.766 1.00 0.00 C ATOM 508 C LYS A 32 10.104 -8.274 -14.793 1.00 0.00 C ATOM 509 O LYS A 32 9.465 -8.942 -13.979 1.00 0.00 O ATOM 510 CB LYS A 32 12.122 -7.168 -13.813 1.00 0.00 C ATOM 511 CG LYS A 32 13.622 -6.935 -13.880 1.00 0.00 C ATOM 512 CD LYS A 32 14.210 -6.690 -12.500 1.00 0.00 C ATOM 513 CE LYS A 32 15.659 -6.238 -12.585 1.00 0.00 C ATOM 514 NZ LYS A 32 16.158 -5.727 -11.278 1.00 0.00 N ATOM 0 H LYS A 32 12.884 -7.318 -16.158 1.00 0.00 H new ATOM 0 HA LYS A 32 11.978 -9.228 -14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.607 -6.235 -14.044 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.850 -7.438 -12.793 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.106 -7.800 -14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.830 -6.079 -14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.621 -5.933 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.147 -7.604 -11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.281 -7.072 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.752 -5.457 -13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.015 -5.158 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.426 -5.137 -10.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.382 -6.529 -10.654 1.00 0.00 H new ATOM 528 N HIS A 33 9.526 -7.535 -15.734 1.00 0.00 N ATOM 529 CA HIS A 33 8.075 -7.465 -15.868 1.00 0.00 C ATOM 530 C HIS A 33 7.446 -6.822 -14.636 1.00 0.00 C ATOM 531 O HIS A 33 6.337 -7.176 -14.237 1.00 0.00 O ATOM 532 CB HIS A 33 7.494 -8.863 -16.081 1.00 0.00 C ATOM 533 CG HIS A 33 6.495 -8.933 -17.195 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.588 -9.836 -18.233 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.377 -8.207 -17.429 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.571 -9.661 -19.058 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.821 -8.679 -18.592 1.00 0.00 N ATOM 0 H HIS A 33 10.040 -6.976 -16.415 1.00 0.00 H new ATOM 0 HA HIS A 33 7.844 -6.847 -16.736 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.308 -9.558 -16.289 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.020 -9.195 -15.157 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.994 -7.405 -16.815 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.385 -10.225 -19.960 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.967 -8.328 -19.026 1.00 0.00 H new ATOM 545 N ALA A 34 8.162 -5.875 -14.038 1.00 0.00 N ATOM 546 CA ALA A 34 7.674 -5.182 -12.852 1.00 0.00 C ATOM 547 C ALA A 34 6.365 -4.455 -13.142 1.00 0.00 C ATOM 548 O ALA A 34 5.757 -4.648 -14.195 1.00 0.00 O ATOM 549 CB ALA A 34 8.722 -4.203 -12.344 1.00 0.00 C ATOM 0 H ALA A 34 9.082 -5.570 -14.356 1.00 0.00 H new ATOM 0 HA ALA A 34 7.483 -5.926 -12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.344 -3.693 -11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.633 -4.745 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.941 -3.469 -13.120 1.00 0.00 H new ATOM 555 N ARG A 35 5.936 -3.621 -12.201 1.00 0.00 N ATOM 556 CA ARG A 35 4.698 -2.867 -12.354 1.00 0.00 C ATOM 557 C ARG A 35 4.924 -1.615 -13.196 1.00 0.00 C ATOM 558 O ARG A 35 4.270 -1.416 -14.220 1.00 0.00 O ATOM 559 CB ARG A 35 4.138 -2.479 -10.984 1.00 0.00 C ATOM 560 CG ARG A 35 4.196 -3.603 -9.963 1.00 0.00 C ATOM 561 CD ARG A 35 3.708 -3.141 -8.598 1.00 0.00 C ATOM 562 NE ARG A 35 2.307 -2.728 -8.629 1.00 0.00 N ATOM 563 CZ ARG A 35 1.730 -2.016 -7.668 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.430 -1.638 -6.606 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.450 -1.679 -7.767 1.00 0.00 N ATOM 0 H ARG A 35 6.428 -3.450 -11.324 1.00 0.00 H new ATOM 0 HA ARG A 35 3.976 -3.503 -12.866 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.695 -1.623 -10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.103 -2.159 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.586 -4.439 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.220 -3.969 -9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.832 -3.948 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.324 -2.309 -8.255 1.00 0.00 H new ATOM 0 HE ARG A 35 1.741 -3.001 -9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.414 -1.894 -6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.984 -1.091 -5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.092 -1.967 -8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.008 -1.132 -7.028 1.00 0.00 H new ATOM 579 N SER A 36 5.854 -0.773 -12.757 1.00 0.00 N ATOM 580 CA SER A 36 6.164 0.462 -13.468 1.00 0.00 C ATOM 581 C SER A 36 7.672 0.633 -13.628 1.00 0.00 C ATOM 582 O SER A 36 8.165 0.898 -14.723 1.00 0.00 O ATOM 583 CB SER A 36 5.580 1.664 -12.723 1.00 0.00 C ATOM 584 OG SER A 36 6.455 2.106 -11.700 1.00 0.00 O ATOM 0 H SER A 36 6.406 -0.923 -11.912 1.00 0.00 H new ATOM 0 HA SER A 36 5.715 0.404 -14.459 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.397 2.477 -13.426 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.617 1.394 -12.290 1.00 0.00 H new ATOM 0 HG SER A 36 6.561 1.397 -11.031 1.00 0.00 H new ATOM 590 N GLY A 37 8.399 0.479 -12.525 1.00 0.00 N ATOM 591 CA GLY A 37 9.843 0.620 -12.563 1.00 0.00 C ATOM 592 C GLY A 37 10.287 2.065 -12.461 1.00 0.00 C ATOM 593 O GLY A 37 9.748 2.936 -13.143 1.00 0.00 O ATOM 0 H GLY A 37 8.014 0.259 -11.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.282 0.050 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.223 0.191 -13.490 1.00 0.00 H new ATOM 597 N GLU A 38 11.272 2.321 -11.605 1.00 0.00 N ATOM 598 CA GLU A 38 11.787 3.672 -11.415 1.00 0.00 C ATOM 599 C GLU A 38 13.219 3.640 -10.889 1.00 0.00 C ATOM 600 O GLU A 38 13.701 2.604 -10.431 1.00 0.00 O ATOM 601 CB GLU A 38 10.893 4.450 -10.447 1.00 0.00 C ATOM 602 CG GLU A 38 9.599 4.941 -11.074 1.00 0.00 C ATOM 603 CD GLU A 38 8.859 5.926 -10.189 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.364 5.509 -9.121 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.775 7.113 -10.566 1.00 0.00 O ATOM 0 H GLU A 38 11.729 1.611 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 38 11.786 4.174 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.655 3.814 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.448 5.306 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.820 5.413 -12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.953 4.088 -11.281 1.00 0.00 H new ATOM 612 N CYS A 39 13.894 4.783 -10.958 1.00 0.00 N ATOM 613 CA CYS A 39 15.270 4.888 -10.490 1.00 0.00 C ATOM 614 C CYS A 39 15.361 5.788 -9.261 1.00 0.00 C ATOM 615 O CYS A 39 14.695 6.821 -9.185 1.00 0.00 O ATOM 616 CB CYS A 39 16.169 5.433 -11.602 1.00 0.00 C ATOM 617 SG CYS A 39 16.353 4.312 -13.026 1.00 0.00 S ATOM 0 H CYS A 39 13.509 5.650 -11.334 1.00 0.00 H new ATOM 0 HA CYS A 39 15.609 3.890 -10.213 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.762 6.382 -11.951 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.155 5.642 -11.188 1.00 0.00 H new ATOM 622 N PHE A 40 16.188 5.388 -8.301 1.00 0.00 N ATOM 623 CA PHE A 40 16.365 6.157 -7.075 1.00 0.00 C ATOM 624 C PHE A 40 17.786 6.007 -6.540 1.00 0.00 C ATOM 625 O PHE A 40 18.465 5.018 -6.817 1.00 0.00 O ATOM 626 CB PHE A 40 15.358 5.707 -6.015 1.00 0.00 C ATOM 627 CG PHE A 40 13.927 5.907 -6.425 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.319 7.144 -6.284 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.189 4.858 -6.949 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.002 7.332 -6.660 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.873 5.040 -7.327 1.00 0.00 C ATOM 632 CZ PHE A 40 11.278 6.278 -7.181 1.00 0.00 C ATOM 0 H PHE A 40 16.746 4.536 -8.348 1.00 0.00 H new ATOM 0 HA PHE A 40 16.192 7.208 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.521 4.652 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.544 6.257 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.881 7.971 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.648 3.887 -7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.540 8.302 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.309 4.215 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.248 6.421 -7.474 1.00 0.00 H new ATOM 642 N TYR A 41 18.230 6.996 -5.772 1.00 0.00 N ATOM 643 CA TYR A 41 19.570 6.976 -5.199 1.00 0.00 C ATOM 644 C TYR A 41 19.659 5.973 -4.053 1.00 0.00 C ATOM 645 O TYR A 41 18.675 5.719 -3.358 1.00 0.00 O ATOM 646 CB TYR A 41 19.956 8.371 -4.701 1.00 0.00 C ATOM 647 CG TYR A 41 20.220 9.359 -5.815 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.465 9.428 -6.428 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.225 10.225 -6.253 1.00 0.00 C ATOM 650 CE1 TYR A 41 21.712 10.330 -7.444 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.462 11.129 -7.270 1.00 0.00 C ATOM 652 CZ TYR A 41 20.707 11.178 -7.862 1.00 0.00 C ATOM 653 OH TYR A 41 20.948 12.078 -8.875 1.00 0.00 O ATOM 0 H TYR A 41 17.681 7.822 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 41 20.266 6.670 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.157 8.756 -4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.847 8.292 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.253 8.765 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.250 10.190 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 41 22.686 10.371 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 41 18.677 11.794 -7.600 1.00 0.00 H new ATOM 0 HH TYR A 41 20.137 12.599 -9.049 1.00 0.00 H new ATOM 663 N ASP A 42 20.845 5.406 -3.863 1.00 0.00 N ATOM 664 CA ASP A 42 21.065 4.431 -2.801 1.00 0.00 C ATOM 665 C ASP A 42 21.662 5.098 -1.566 1.00 0.00 C ATOM 666 O ASP A 42 21.687 6.324 -1.463 1.00 0.00 O ATOM 667 CB ASP A 42 21.988 3.313 -3.289 1.00 0.00 C ATOM 668 CG ASP A 42 21.617 1.962 -2.711 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.586 1.399 -3.135 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.356 1.467 -1.834 1.00 0.00 O ATOM 0 H ASP A 42 21.669 5.605 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 42 20.100 4.002 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.949 3.262 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.017 3.551 -3.018 1.00 0.00 H new ATOM 675 N GLU A 43 22.139 4.282 -0.631 1.00 0.00 N ATOM 676 CA GLU A 43 22.734 4.795 0.598 1.00 0.00 C ATOM 677 C GLU A 43 23.951 5.663 0.292 1.00 0.00 C ATOM 678 O GLU A 43 24.200 6.663 0.966 1.00 0.00 O ATOM 679 CB GLU A 43 23.136 3.639 1.516 1.00 0.00 C ATOM 680 CG GLU A 43 22.005 2.666 1.802 1.00 0.00 C ATOM 681 CD GLU A 43 22.333 1.702 2.926 1.00 0.00 C ATOM 682 OE1 GLU A 43 23.077 0.731 2.677 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.846 1.921 4.055 1.00 0.00 O ATOM 0 H GLU A 43 22.125 3.264 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 43 21.989 5.410 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.964 3.096 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.501 4.045 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.106 3.226 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.780 2.100 0.898 1.00 0.00 H new ATOM 690 N LYS A 44 24.707 5.274 -0.729 1.00 0.00 N ATOM 691 CA LYS A 44 25.897 6.016 -1.126 1.00 0.00 C ATOM 692 C LYS A 44 25.566 7.036 -2.211 1.00 0.00 C ATOM 693 O LYS A 44 26.441 7.456 -2.968 1.00 0.00 O ATOM 694 CB LYS A 44 26.978 5.055 -1.628 1.00 0.00 C ATOM 695 CG LYS A 44 27.960 4.628 -0.551 1.00 0.00 C ATOM 696 CD LYS A 44 29.314 5.292 -0.735 1.00 0.00 C ATOM 697 CE LYS A 44 30.391 4.597 0.084 1.00 0.00 C ATOM 698 NZ LYS A 44 31.748 4.809 -0.492 1.00 0.00 N ATOM 0 H LYS A 44 24.516 4.448 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 44 26.270 6.550 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.499 4.168 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.527 5.531 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.559 4.883 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 28.079 3.545 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.589 5.274 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.250 6.339 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.368 4.972 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.179 3.529 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 32.454 4.320 0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.778 4.429 -1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.961 5.827 -0.514 1.00 0.00 H new ATOM 712 N ARG A 45 24.299 7.431 -2.278 1.00 0.00 N ATOM 713 CA ARG A 45 23.854 8.403 -3.269 1.00 0.00 C ATOM 714 C ARG A 45 24.064 7.871 -4.684 1.00 0.00 C ATOM 715 O ARG A 45 24.500 8.601 -5.573 1.00 0.00 O ATOM 716 CB ARG A 45 24.604 9.724 -3.093 1.00 0.00 C ATOM 717 CG ARG A 45 24.554 10.268 -1.675 1.00 0.00 C ATOM 718 CD ARG A 45 23.651 11.488 -1.577 1.00 0.00 C ATOM 719 NE ARG A 45 23.807 12.184 -0.303 1.00 0.00 N ATOM 720 CZ ARG A 45 24.866 12.925 0.005 1.00 0.00 C ATOM 721 NH1 ARG A 45 25.857 13.064 -0.865 1.00 0.00 N ATOM 722 NH2 ARG A 45 24.935 13.527 1.185 1.00 0.00 N ATOM 0 H ARG A 45 23.563 7.093 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 45 22.788 8.576 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.645 9.582 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.182 10.465 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.194 9.492 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.560 10.532 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.877 12.173 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.612 11.181 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 45 23.062 12.097 0.388 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.807 12.602 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG A 45 26.669 13.633 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.175 13.421 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.748 14.096 1.421 1.00 0.00 H new ATOM 736 N ASN A 46 23.751 6.595 -4.884 1.00 0.00 N ATOM 737 CA ASN A 46 23.906 5.965 -6.190 1.00 0.00 C ATOM 738 C ASN A 46 22.547 5.650 -6.807 1.00 0.00 C ATOM 739 O ASN A 46 21.822 4.778 -6.327 1.00 0.00 O ATOM 740 CB ASN A 46 24.733 4.684 -6.066 1.00 0.00 C ATOM 741 CG ASN A 46 25.573 4.657 -4.804 1.00 0.00 C ATOM 742 OD1 ASN A 46 25.048 4.525 -3.698 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.885 4.783 -4.964 1.00 0.00 N ATOM 0 H ASN A 46 23.388 5.977 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 46 24.428 6.664 -6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.066 3.822 -6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.385 4.590 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.501 4.773 -4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.277 4.890 -5.900 1.00 0.00 H new ATOM 750 N LEU A 47 22.208 6.365 -7.874 1.00 0.00 N ATOM 751 CA LEU A 47 20.936 6.161 -8.559 1.00 0.00 C ATOM 752 C LEU A 47 20.908 4.810 -9.266 1.00 0.00 C ATOM 753 O LEU A 47 21.535 4.633 -10.310 1.00 0.00 O ATOM 754 CB LEU A 47 20.693 7.283 -9.570 1.00 0.00 C ATOM 755 CG LEU A 47 19.449 8.140 -9.335 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.471 9.370 -10.229 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.187 7.325 -9.577 1.00 0.00 C ATOM 0 H LEU A 47 22.796 7.091 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 47 20.143 6.175 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.565 7.937 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.623 6.841 -10.564 1.00 0.00 H new ATOM 0 HG LEU A 47 19.450 8.471 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.578 9.968 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.357 9.965 -10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.494 9.060 -11.274 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.311 7.951 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.179 6.964 -10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.166 6.476 -8.894 1.00 0.00 H new ATOM 769 N GLN A 48 20.176 3.862 -8.691 1.00 0.00 N ATOM 770 CA GLN A 48 20.066 2.527 -9.267 1.00 0.00 C ATOM 771 C GLN A 48 18.667 2.290 -9.826 1.00 0.00 C ATOM 772 O GLN A 48 17.738 3.050 -9.549 1.00 0.00 O ATOM 773 CB GLN A 48 20.394 1.466 -8.216 1.00 0.00 C ATOM 774 CG GLN A 48 21.872 1.114 -8.147 1.00 0.00 C ATOM 775 CD GLN A 48 22.435 1.232 -6.745 1.00 0.00 C ATOM 776 OE1 GLN A 48 23.560 1.694 -6.553 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.655 0.814 -5.756 1.00 0.00 N ATOM 0 H GLN A 48 19.650 3.993 -7.827 1.00 0.00 H new ATOM 0 HA GLN A 48 20.783 2.451 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 48 20.068 1.822 -7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.824 0.563 -8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.016 0.096 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.430 1.771 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.729 0.438 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.981 0.869 -4.791 1.00 0.00 H new ATOM 786 N CYS A 49 18.522 1.230 -10.616 1.00 0.00 N ATOM 787 CA CYS A 49 17.237 0.892 -11.215 1.00 0.00 C ATOM 788 C CYS A 49 16.413 0.015 -10.277 1.00 0.00 C ATOM 789 O CYS A 49 16.590 -1.202 -10.234 1.00 0.00 O ATOM 790 CB CYS A 49 17.447 0.174 -12.550 1.00 0.00 C ATOM 791 SG CYS A 49 16.135 0.485 -13.775 1.00 0.00 S ATOM 0 H CYS A 49 19.280 0.591 -10.856 1.00 0.00 H new ATOM 0 HA CYS A 49 16.691 1.819 -11.390 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.403 0.484 -12.971 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.512 -0.899 -12.367 1.00 0.00 H new ATOM 796 N ILE A 50 15.512 0.643 -9.529 1.00 0.00 N ATOM 797 CA ILE A 50 14.660 -0.080 -8.593 1.00 0.00 C ATOM 798 C ILE A 50 13.296 -0.376 -9.207 1.00 0.00 C ATOM 799 O ILE A 50 12.527 0.538 -9.507 1.00 0.00 O ATOM 800 CB ILE A 50 14.462 0.710 -7.286 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.774 0.779 -6.503 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.368 0.072 -6.442 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.184 2.188 -6.135 1.00 0.00 C ATOM 0 H ILE A 50 15.353 1.650 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 50 15.165 -1.019 -8.367 1.00 0.00 H new ATOM 0 HB ILE A 50 14.156 1.726 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.676 0.188 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.566 0.322 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.240 0.642 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.432 0.070 -7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.648 -0.953 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.123 2.161 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.315 2.778 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.411 2.642 -5.516 1.00 0.00 H new ATOM 815 N CYS A 51 13.001 -1.658 -9.390 1.00 0.00 N ATOM 816 CA CYS A 51 11.729 -2.076 -9.967 1.00 0.00 C ATOM 817 C CYS A 51 10.714 -2.396 -8.873 1.00 0.00 C ATOM 818 O CYS A 51 11.066 -2.506 -7.699 1.00 0.00 O ATOM 819 CB CYS A 51 11.929 -3.298 -10.865 1.00 0.00 C ATOM 820 SG CYS A 51 13.332 -3.152 -12.018 1.00 0.00 S ATOM 0 H CYS A 51 13.626 -2.426 -9.147 1.00 0.00 H new ATOM 0 HA CYS A 51 11.343 -1.252 -10.567 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.078 -4.176 -10.237 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.018 -3.467 -11.438 1.00 0.00 H new ATOM 825 N ASP A 52 9.454 -2.544 -9.267 1.00 0.00 N ATOM 826 CA ASP A 52 8.388 -2.852 -8.321 1.00 0.00 C ATOM 827 C ASP A 52 7.856 -4.265 -8.544 1.00 0.00 C ATOM 828 O ASP A 52 7.397 -4.601 -9.635 1.00 0.00 O ATOM 829 CB ASP A 52 7.250 -1.839 -8.454 1.00 0.00 C ATOM 830 CG ASP A 52 7.276 -1.110 -9.783 1.00 0.00 C ATOM 831 OD1 ASP A 52 7.435 -1.781 -10.824 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.137 0.131 -9.782 1.00 0.00 O ATOM 0 H ASP A 52 9.146 -2.456 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 52 8.801 -2.792 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.295 -2.353 -8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.317 -1.113 -7.643 1.00 0.00 H new ATOM 837 N TYR A 53 7.923 -5.087 -7.503 1.00 0.00 N ATOM 838 CA TYR A 53 7.451 -6.464 -7.585 1.00 0.00 C ATOM 839 C TYR A 53 6.314 -6.711 -6.599 1.00 0.00 C ATOM 840 O TYR A 53 6.530 -6.781 -5.389 1.00 0.00 O ATOM 841 CB TYR A 53 8.600 -7.436 -7.310 1.00 0.00 C ATOM 842 CG TYR A 53 9.257 -7.968 -8.563 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.235 -7.235 -9.224 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.901 -9.205 -9.086 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.837 -7.717 -10.370 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.498 -9.696 -10.231 1.00 0.00 C ATOM 847 CZ TYR A 53 10.466 -8.948 -10.869 1.00 0.00 C ATOM 848 OH TYR A 53 11.064 -9.432 -12.010 1.00 0.00 O ATOM 0 H TYR A 53 8.300 -4.824 -6.592 1.00 0.00 H new ATOM 0 HA TYR A 53 7.075 -6.632 -8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.352 -6.934 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.223 -8.274 -6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.530 -6.272 -8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.144 -9.793 -8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.594 -7.133 -10.872 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.209 -10.659 -10.624 1.00 0.00 H new ATOM 0 HH TYR A 53 10.380 -9.605 -12.690 1.00 0.00 H new ATOM 858 N CYS A 54 5.101 -6.842 -7.126 1.00 0.00 N ATOM 859 CA CYS A 54 3.928 -7.082 -6.294 1.00 0.00 C ATOM 860 C CYS A 54 2.728 -7.479 -7.149 1.00 0.00 C ATOM 861 O CYS A 54 2.318 -8.640 -7.159 1.00 0.00 O ATOM 862 CB CYS A 54 3.594 -5.833 -5.476 1.00 0.00 C ATOM 863 SG CYS A 54 4.126 -5.920 -3.736 1.00 0.00 S ATOM 0 H CYS A 54 4.905 -6.786 -8.125 1.00 0.00 H new ATOM 0 HA CYS A 54 4.156 -7.903 -5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.063 -4.968 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.517 -5.668 -5.508 1.00 0.00 H new