USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 hydrogens (4 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 NoAdj-H: B 1 PCA H1 : B 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: B 1 PCA H3 : B 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: B 35 SER OG : rot -81:sc= 1.21 USER MOD Set 1.2: B 48 TYR OH : rot 8:sc= 0.253 USER MOD Set 2.1: B 8 SER OG : rot 36:sc= 1.96 USER MOD Set 2.2: B 10 THR OG1 : rot -76:sc= 1.47 USER MOD Set 2.3: B 24 GLN : amide:sc= -1.44 K(o=2,f=2.6) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -171:sc= 1.94 (180deg=1.73) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc=-0.00816 X(o=-0.0082,f=-0.0082) USER MOD Single : B 18 ASN : amide:sc= -0.963 K(o=-0.96,f=-2.6!) USER MOD Single : B 23 ASN : amide:sc= 0.993 K(o=0.99,f=-4.5!) USER MOD Single : B 30 LYS NZ :NH3+ -166:sc= 0.216 (180deg=-0.00183) USER MOD Single : B 33 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.8) USER MOD Single : B 37 ASN : amide:sc= -3.83! K(o=-3.8!,f=-0.89) USER MOD Single : B 38 TYR OH : rot -123:sc= 0.857 USER MOD Single : B 43 HIS : no HE2:sc= 0.566 K(o=0.57,f=-4.4!) USER MOD Single : B 44 LYS NZ :NH3+ 174:sc=-0.00876 (180deg=-0.0866) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 4.634 -18.786 -0.039 1.00 0.00 N HETATM 2 CA PCA B 1 4.946 -17.697 0.906 1.00 0.00 C HETATM 3 CB PCA B 1 6.007 -18.186 1.898 1.00 0.00 C HETATM 4 CG PCA B 1 6.262 -19.607 1.497 1.00 0.00 C HETATM 5 CD PCA B 1 5.405 -19.809 0.263 1.00 0.00 C HETATM 6 OE PCA B 1 5.651 -20.717 -0.534 1.00 0.00 O HETATM 7 C PCA B 1 5.443 -16.461 0.165 1.00 0.00 C HETATM 8 O PCA B 1 6.626 -16.125 0.217 1.00 0.00 O HETATM 0 H2 PCA B 1 4.298 -19.617 0.488 1.00 0.00 H new HETATM 0 HA PCA B 1 4.040 -17.420 1.445 1.00 0.00 H new HETATM 0 HB2 PCA B 1 6.915 -17.586 1.837 1.00 0.00 H new HETATM 0 HB3 PCA B 1 5.651 -18.121 2.926 1.00 0.00 H new HETATM 0 HG2 PCA B 1 7.317 -19.776 1.280 1.00 0.00 H new HETATM 0 HG3 PCA B 1 5.985 -20.300 2.291 1.00 0.00 H new ATOM 13 N ARG B 2 4.536 -15.791 -0.532 1.00 0.00 N ATOM 14 CA ARG B 2 4.882 -14.580 -1.265 1.00 0.00 C ATOM 15 C ARG B 2 4.688 -13.358 -0.380 1.00 0.00 C ATOM 16 O ARG B 2 4.553 -13.486 0.836 1.00 0.00 O ATOM 17 CB ARG B 2 4.027 -14.454 -2.530 1.00 0.00 C ATOM 18 CG ARG B 2 2.537 -14.328 -2.252 1.00 0.00 C ATOM 19 CD ARG B 2 1.751 -14.097 -3.529 1.00 0.00 C ATOM 20 NE ARG B 2 1.857 -15.223 -4.454 1.00 0.00 N ATOM 21 CZ ARG B 2 1.219 -15.291 -5.620 1.00 0.00 C ATOM 22 NH1 ARG B 2 0.428 -14.298 -6.008 1.00 0.00 N ATOM 23 NH2 ARG B 2 1.371 -16.353 -6.396 1.00 0.00 N ATOM 0 H ARG B 2 3.556 -16.065 -0.606 1.00 0.00 H new ATOM 0 HA ARG B 2 5.930 -14.642 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG B 2 4.357 -13.582 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG B 2 4.197 -15.326 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG B 2 2.179 -15.234 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG B 2 2.363 -13.502 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.703 -13.929 -3.283 1.00 0.00 H new ATOM 0 HD3 ARG B 2 2.113 -13.192 -4.018 1.00 0.00 H new ATOM 0 HE ARG B 2 2.457 -16.005 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG B 2 0.308 -13.479 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -0.059 -14.354 -6.902 1.00 0.00 H new ATOM 0 HH21 ARG B 2 1.977 -17.118 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG B 2 0.882 -16.406 -7.290 1.00 0.00 H new ATOM 37 N LEU B 3 4.700 -12.184 -1.002 1.00 0.00 N ATOM 38 CA LEU B 3 4.436 -10.922 -0.310 1.00 0.00 C ATOM 39 C LEU B 3 3.235 -11.036 0.631 1.00 0.00 C ATOM 40 O LEU B 3 2.186 -11.556 0.251 1.00 0.00 O ATOM 41 CB LEU B 3 4.151 -9.819 -1.334 1.00 0.00 C ATOM 42 CG LEU B 3 5.305 -9.461 -2.278 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.789 -8.665 -3.467 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.369 -8.663 -1.543 1.00 0.00 C ATOM 0 H LEU B 3 4.892 -12.078 -1.998 1.00 0.00 H new ATOM 0 HA LEU B 3 5.321 -10.679 0.279 1.00 0.00 H new ATOM 0 HB2 LEU B 3 3.296 -10.124 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.856 -8.918 -0.795 1.00 0.00 H new ATOM 0 HG LEU B 3 5.750 -10.388 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.620 -8.418 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.056 -9.259 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.321 -7.746 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.180 -8.418 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.931 -7.743 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.761 -9.255 -0.715 1.00 0.00 H new ATOM 56 N CYS B 4 3.401 -10.557 1.856 1.00 0.00 N ATOM 57 CA CYS B 4 2.307 -10.518 2.813 1.00 0.00 C ATOM 58 C CYS B 4 1.693 -9.127 2.829 1.00 0.00 C ATOM 59 O CYS B 4 2.391 -8.128 3.019 1.00 0.00 O ATOM 60 CB CYS B 4 2.780 -10.917 4.215 1.00 0.00 C ATOM 61 SG CYS B 4 2.838 -12.722 4.496 1.00 0.00 S ATOM 0 H CYS B 4 4.284 -10.190 2.210 1.00 0.00 H new ATOM 0 HA CYS B 4 1.551 -11.240 2.506 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.773 -10.502 4.384 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.116 -10.466 4.953 1.00 0.00 H new ATOM 66 N GLU B 5 0.393 -9.071 2.586 1.00 0.00 N ATOM 67 CA GLU B 5 -0.311 -7.807 2.472 1.00 0.00 C ATOM 68 C GLU B 5 -0.518 -7.150 3.833 1.00 0.00 C ATOM 69 O GLU B 5 -0.641 -7.822 4.860 1.00 0.00 O ATOM 70 CB GLU B 5 -1.672 -7.993 1.794 1.00 0.00 C ATOM 71 CG GLU B 5 -1.652 -8.886 0.565 1.00 0.00 C ATOM 72 CD GLU B 5 -1.886 -10.345 0.898 1.00 0.00 C ATOM 73 OE1 GLU B 5 -0.951 -11.011 1.380 1.00 0.00 O ATOM 74 OE2 GLU B 5 -3.016 -10.832 0.688 1.00 0.00 O ATOM 0 H GLU B 5 -0.198 -9.893 2.463 1.00 0.00 H new ATOM 0 HA GLU B 5 0.314 -7.156 1.860 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.370 -8.412 2.519 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -2.058 -7.014 1.509 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.417 -8.550 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.691 -8.782 0.061 1.00 0.00 H new ATOM 81 N LYS B 6 -0.561 -5.830 3.811 1.00 0.00 N ATOM 82 CA LYS B 6 -0.806 -5.021 4.991 1.00 0.00 C ATOM 83 C LYS B 6 -1.836 -3.949 4.665 1.00 0.00 C ATOM 84 O LYS B 6 -1.744 -3.303 3.623 1.00 0.00 O ATOM 85 CB LYS B 6 0.487 -4.339 5.446 1.00 0.00 C ATOM 86 CG LYS B 6 0.280 -3.335 6.570 1.00 0.00 C ATOM 87 CD LYS B 6 1.547 -2.558 6.877 1.00 0.00 C ATOM 88 CE LYS B 6 1.280 -1.438 7.869 1.00 0.00 C ATOM 89 NZ LYS B 6 0.357 -0.408 7.315 1.00 0.00 N ATOM 0 H LYS B 6 -0.425 -5.282 2.961 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.173 -5.668 5.788 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.194 -5.101 5.775 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.940 -3.831 4.594 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.514 -2.641 6.294 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.051 -3.858 7.467 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.301 -3.233 7.281 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.953 -2.141 5.955 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.852 -1.856 8.780 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.223 -0.967 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.322 0.408 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.700 -0.100 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -0.596 -0.813 7.217 1.00 0.00 H new ATOM 103 N PRO B 7 -2.832 -3.747 5.531 1.00 0.00 N ATOM 104 CA PRO B 7 -3.779 -2.649 5.367 1.00 0.00 C ATOM 105 C PRO B 7 -3.061 -1.306 5.436 1.00 0.00 C ATOM 106 O PRO B 7 -2.258 -1.072 6.345 1.00 0.00 O ATOM 107 CB PRO B 7 -4.751 -2.815 6.542 1.00 0.00 C ATOM 108 CG PRO B 7 -4.031 -3.674 7.527 1.00 0.00 C ATOM 109 CD PRO B 7 -3.123 -4.560 6.723 1.00 0.00 C ATOM 0 HA PRO B 7 -4.287 -2.670 4.403 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -5.011 -1.850 6.977 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.682 -3.281 6.220 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.461 -3.067 8.230 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.733 -4.266 8.114 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.215 -4.810 7.272 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.607 -5.501 6.461 1.00 0.00 H new ATOM 117 N SER B 8 -3.329 -0.442 4.464 1.00 0.00 N ATOM 118 CA SER B 8 -2.645 0.839 4.372 1.00 0.00 C ATOM 119 C SER B 8 -2.854 1.672 5.627 1.00 0.00 C ATOM 120 O SER B 8 -3.974 1.799 6.132 1.00 0.00 O ATOM 121 CB SER B 8 -3.124 1.624 3.151 1.00 0.00 C ATOM 122 OG SER B 8 -2.482 2.886 3.076 1.00 0.00 O ATOM 0 H SER B 8 -4.016 -0.607 3.728 1.00 0.00 H new ATOM 0 HA SER B 8 -1.580 0.630 4.268 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.921 1.054 2.245 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.204 1.764 3.204 1.00 0.00 H new ATOM 0 HG SER B 8 -1.555 2.800 3.382 1.00 0.00 H new ATOM 128 N GLY B 9 -1.766 2.238 6.116 1.00 0.00 N ATOM 129 CA GLY B 9 -1.824 3.127 7.251 1.00 0.00 C ATOM 130 C GLY B 9 -1.632 4.560 6.816 1.00 0.00 C ATOM 131 O GLY B 9 -1.340 5.439 7.627 1.00 0.00 O ATOM 0 H GLY B 9 -0.829 2.094 5.739 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.785 3.020 7.754 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.054 2.854 7.973 1.00 0.00 H new ATOM 135 N THR B 10 -1.787 4.792 5.518 1.00 0.00 N ATOM 136 CA THR B 10 -1.602 6.114 4.951 1.00 0.00 C ATOM 137 C THR B 10 -2.829 6.537 4.155 1.00 0.00 C ATOM 138 O THR B 10 -3.105 7.728 3.997 1.00 0.00 O ATOM 139 CB THR B 10 -0.352 6.164 4.051 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.345 5.044 3.150 1.00 0.00 O ATOM 141 CG2 THR B 10 0.918 6.164 4.887 1.00 0.00 C ATOM 0 H THR B 10 -2.042 4.075 4.839 1.00 0.00 H new ATOM 0 HA THR B 10 -1.461 6.809 5.779 1.00 0.00 H new ATOM 0 HB THR B 10 -0.385 7.088 3.474 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.077 4.236 3.635 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.787 6.200 4.229 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.923 7.035 5.542 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.957 5.257 5.490 1.00 0.00 H new ATOM 149 N TRP B 11 -3.558 5.554 3.647 1.00 0.00 N ATOM 150 CA TRP B 11 -4.786 5.812 2.917 1.00 0.00 C ATOM 151 C TRP B 11 -5.953 5.888 3.892 1.00 0.00 C ATOM 152 O TRP B 11 -5.809 5.566 5.072 1.00 0.00 O ATOM 153 CB TRP B 11 -5.021 4.701 1.891 1.00 0.00 C ATOM 154 CG TRP B 11 -5.933 5.076 0.754 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.296 4.988 0.719 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.535 5.575 -0.529 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.768 5.431 -0.487 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.707 5.789 -1.274 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.301 5.869 -1.115 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.681 6.284 -2.574 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.276 6.357 -2.407 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.459 6.561 -3.124 1.00 0.00 C ATOM 0 H TRP B 11 -3.317 4.566 3.729 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.703 6.763 2.390 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -4.059 4.395 1.481 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.439 3.835 2.403 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.912 4.622 1.527 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.751 5.485 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.383 5.717 -0.567 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.593 6.444 -3.130 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.328 6.585 -2.871 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.407 6.945 -4.132 1.00 0.00 H new ATOM 173 N SER B 12 -7.097 6.300 3.393 1.00 0.00 N ATOM 174 CA SER B 12 -8.289 6.420 4.210 1.00 0.00 C ATOM 175 C SER B 12 -9.533 6.140 3.375 1.00 0.00 C ATOM 176 O SER B 12 -9.754 6.774 2.341 1.00 0.00 O ATOM 177 CB SER B 12 -8.370 7.817 4.833 1.00 0.00 C ATOM 178 OG SER B 12 -9.478 7.929 5.714 1.00 0.00 O ATOM 0 H SER B 12 -7.230 6.560 2.416 1.00 0.00 H new ATOM 0 HA SER B 12 -8.235 5.685 5.013 1.00 0.00 H new ATOM 0 HB2 SER B 12 -7.449 8.029 5.376 1.00 0.00 H new ATOM 0 HB3 SER B 12 -8.454 8.564 4.044 1.00 0.00 H new ATOM 0 HG SER B 12 -9.502 8.831 6.097 1.00 0.00 H new ATOM 184 N GLY B 13 -10.332 5.179 3.820 1.00 0.00 N ATOM 185 CA GLY B 13 -11.574 4.872 3.143 1.00 0.00 C ATOM 186 C GLY B 13 -11.365 4.127 1.843 1.00 0.00 C ATOM 187 O GLY B 13 -10.299 3.554 1.607 1.00 0.00 O ATOM 0 H GLY B 13 -10.140 4.605 4.641 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -12.203 4.274 3.802 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.112 5.799 2.943 1.00 0.00 H new ATOM 191 N VAL B 14 -12.393 4.122 1.006 1.00 0.00 N ATOM 192 CA VAL B 14 -12.327 3.490 -0.294 1.00 0.00 C ATOM 193 C VAL B 14 -11.382 4.268 -1.205 1.00 0.00 C ATOM 194 O VAL B 14 -11.300 5.495 -1.125 1.00 0.00 O ATOM 195 CB VAL B 14 -13.730 3.421 -0.931 1.00 0.00 C ATOM 196 CG1 VAL B 14 -13.688 2.674 -2.248 1.00 0.00 C ATOM 197 CG2 VAL B 14 -14.719 2.767 0.019 1.00 0.00 C ATOM 0 H VAL B 14 -13.292 4.556 1.213 1.00 0.00 H new ATOM 0 HA VAL B 14 -11.949 2.475 -0.168 1.00 0.00 H new ATOM 0 HB VAL B 14 -14.062 4.441 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -14.689 2.638 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -13.015 3.187 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -13.329 1.659 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -15.702 2.728 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -14.387 1.755 0.250 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -14.778 3.348 0.939 1.00 0.00 H new ATOM 207 N CYS B 15 -10.655 3.558 -2.049 1.00 0.00 N ATOM 208 CA CYS B 15 -9.704 4.192 -2.944 1.00 0.00 C ATOM 209 C CYS B 15 -10.364 4.498 -4.283 1.00 0.00 C ATOM 210 O CYS B 15 -11.463 4.019 -4.569 1.00 0.00 O ATOM 211 CB CYS B 15 -8.502 3.278 -3.168 1.00 0.00 C ATOM 212 SG CYS B 15 -8.738 2.080 -4.520 1.00 0.00 S ATOM 0 H CYS B 15 -10.705 2.543 -2.133 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.368 5.123 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.626 3.890 -3.385 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -8.292 2.736 -2.246 1.00 0.00 H new ATOM 217 N GLY B 16 -9.692 5.299 -5.093 1.00 0.00 N ATOM 218 CA GLY B 16 -10.187 5.604 -6.420 1.00 0.00 C ATOM 219 C GLY B 16 -9.270 5.073 -7.500 1.00 0.00 C ATOM 220 O GLY B 16 -9.627 5.055 -8.681 1.00 0.00 O ATOM 0 H GLY B 16 -8.807 5.747 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.181 5.174 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.290 6.684 -6.530 1.00 0.00 H new ATOM 224 N ASN B 17 -8.085 4.640 -7.091 1.00 0.00 N ATOM 225 CA ASN B 17 -7.070 4.150 -8.017 1.00 0.00 C ATOM 226 C ASN B 17 -6.217 3.084 -7.346 1.00 0.00 C ATOM 227 O ASN B 17 -5.747 3.273 -6.222 1.00 0.00 O ATOM 228 CB ASN B 17 -6.155 5.293 -8.466 1.00 0.00 C ATOM 229 CG ASN B 17 -6.790 6.229 -9.471 1.00 0.00 C ATOM 230 OD1 ASN B 17 -6.726 5.997 -10.678 1.00 0.00 O ATOM 231 ND2 ASN B 17 -7.393 7.298 -8.982 1.00 0.00 N ATOM 0 H ASN B 17 -7.800 4.618 -6.112 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.581 3.728 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -5.852 5.867 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -5.249 4.871 -8.900 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -7.829 7.971 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -7.422 7.451 -7.974 1.00 0.00 H new ATOM 238 N ASN B 18 -6.012 1.971 -8.043 1.00 0.00 N ATOM 239 CA ASN B 18 -5.152 0.904 -7.541 1.00 0.00 C ATOM 240 C ASN B 18 -3.702 1.345 -7.540 1.00 0.00 C ATOM 241 O ASN B 18 -2.964 1.073 -6.599 1.00 0.00 O ATOM 242 CB ASN B 18 -5.280 -0.372 -8.379 1.00 0.00 C ATOM 243 CG ASN B 18 -6.500 -1.198 -8.031 1.00 0.00 C ATOM 244 OD1 ASN B 18 -7.559 -0.668 -7.708 1.00 0.00 O ATOM 245 ND2 ASN B 18 -6.349 -2.510 -8.069 1.00 0.00 N ATOM 0 H ASN B 18 -6.428 1.784 -8.955 1.00 0.00 H new ATOM 0 HA ASN B 18 -5.477 0.688 -6.523 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -5.321 -0.102 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -4.386 -0.980 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -7.129 -3.120 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -5.453 -2.912 -8.343 1.00 0.00 H new ATOM 252 N GLY B 19 -3.302 2.031 -8.598 1.00 0.00 N ATOM 253 CA GLY B 19 -1.932 2.471 -8.718 1.00 0.00 C ATOM 254 C GLY B 19 -1.603 3.601 -7.779 1.00 0.00 C ATOM 255 O GLY B 19 -0.507 3.656 -7.242 1.00 0.00 O ATOM 0 H GLY B 19 -3.905 2.291 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.266 1.632 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -1.745 2.789 -9.744 1.00 0.00 H new ATOM 259 N ALA B 20 -2.550 4.503 -7.580 1.00 0.00 N ATOM 260 CA ALA B 20 -2.371 5.593 -6.629 1.00 0.00 C ATOM 261 C ALA B 20 -2.221 5.028 -5.223 1.00 0.00 C ATOM 262 O ALA B 20 -1.424 5.519 -4.421 1.00 0.00 O ATOM 263 CB ALA B 20 -3.539 6.564 -6.695 1.00 0.00 C ATOM 0 H ALA B 20 -3.449 4.504 -8.062 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.466 6.142 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.384 7.369 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.608 6.982 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.463 6.038 -6.456 1.00 0.00 H new ATOM 269 N CYS B 21 -2.999 3.988 -4.944 1.00 0.00 N ATOM 270 CA CYS B 21 -2.878 3.243 -3.699 1.00 0.00 C ATOM 271 C CYS B 21 -1.523 2.552 -3.632 1.00 0.00 C ATOM 272 O CYS B 21 -0.817 2.647 -2.627 1.00 0.00 O ATOM 273 CB CYS B 21 -4.004 2.207 -3.596 1.00 0.00 C ATOM 274 SG CYS B 21 -3.748 0.938 -2.313 1.00 0.00 S ATOM 0 H CYS B 21 -3.726 3.641 -5.570 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.960 3.937 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.941 2.726 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -4.115 1.713 -4.561 1.00 0.00 H new ATOM 279 N ARG B 22 -1.147 1.892 -4.726 1.00 0.00 N ATOM 280 CA ARG B 22 0.108 1.160 -4.779 1.00 0.00 C ATOM 281 C ARG B 22 1.271 2.114 -4.563 1.00 0.00 C ATOM 282 O ARG B 22 2.109 1.903 -3.691 1.00 0.00 O ATOM 283 CB ARG B 22 0.242 0.468 -6.135 1.00 0.00 C ATOM 284 CG ARG B 22 1.542 -0.293 -6.324 1.00 0.00 C ATOM 285 CD ARG B 22 1.673 -0.782 -7.754 1.00 0.00 C ATOM 286 NE ARG B 22 1.648 0.332 -8.699 1.00 0.00 N ATOM 287 CZ ARG B 22 1.064 0.297 -9.896 1.00 0.00 C ATOM 288 NH1 ARG B 22 0.470 -0.807 -10.325 1.00 0.00 N ATOM 289 NH2 ARG B 22 1.078 1.378 -10.665 1.00 0.00 N ATOM 0 H ARG B 22 -1.696 1.852 -5.585 1.00 0.00 H new ATOM 0 HA ARG B 22 0.119 0.406 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.591 -0.223 -6.261 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.156 1.217 -6.922 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.386 0.351 -6.076 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.576 -1.141 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.604 -1.337 -7.867 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.861 -1.473 -7.981 1.00 0.00 H new ATOM 0 HE ARG B 22 2.111 1.198 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.457 -1.640 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.026 -0.823 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.534 2.230 -10.339 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.633 1.357 -11.582 1.00 0.00 H new ATOM 303 N ASN B 23 1.275 3.174 -5.357 1.00 0.00 N ATOM 304 CA ASN B 23 2.305 4.206 -5.325 1.00 0.00 C ATOM 305 C ASN B 23 2.489 4.767 -3.924 1.00 0.00 C ATOM 306 O ASN B 23 3.612 4.919 -3.444 1.00 0.00 O ATOM 307 CB ASN B 23 1.900 5.333 -6.275 1.00 0.00 C ATOM 308 CG ASN B 23 2.885 6.482 -6.314 1.00 0.00 C ATOM 309 OD1 ASN B 23 4.095 6.298 -6.174 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.362 7.681 -6.502 1.00 0.00 N ATOM 0 H ASN B 23 0.551 3.346 -6.054 1.00 0.00 H new ATOM 0 HA ASN B 23 3.251 3.762 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.790 4.926 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN B 23 0.923 5.714 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.967 8.502 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.354 7.786 -6.613 1.00 0.00 H new ATOM 317 N GLN B 24 1.378 5.070 -3.277 1.00 0.00 N ATOM 318 CA GLN B 24 1.405 5.621 -1.929 1.00 0.00 C ATOM 319 C GLN B 24 2.107 4.662 -0.978 1.00 0.00 C ATOM 320 O GLN B 24 2.989 5.061 -0.214 1.00 0.00 O ATOM 321 CB GLN B 24 -0.008 5.898 -1.434 1.00 0.00 C ATOM 322 CG GLN B 24 -0.043 6.778 -0.200 1.00 0.00 C ATOM 323 CD GLN B 24 -1.448 7.115 0.238 1.00 0.00 C ATOM 324 OE1 GLN B 24 -2.025 8.116 -0.189 1.00 0.00 O ATOM 325 NE2 GLN B 24 -2.008 6.287 1.097 1.00 0.00 N ATOM 0 H GLN B 24 0.442 4.944 -3.662 1.00 0.00 H new ATOM 0 HA GLN B 24 1.957 6.561 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.579 6.376 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.501 4.952 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.476 6.274 0.615 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.501 7.701 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.495 5.469 1.426 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.955 6.464 1.433 1.00 0.00 H new ATOM 334 N CYS B 25 1.710 3.397 -1.040 1.00 0.00 N ATOM 335 CA CYS B 25 2.373 2.340 -0.277 1.00 0.00 C ATOM 336 C CYS B 25 3.872 2.322 -0.572 1.00 0.00 C ATOM 337 O CYS B 25 4.681 2.203 0.344 1.00 0.00 O ATOM 338 CB CYS B 25 1.767 0.969 -0.603 1.00 0.00 C ATOM 339 SG CYS B 25 0.019 0.776 -0.124 1.00 0.00 S ATOM 0 H CYS B 25 0.930 3.075 -1.612 1.00 0.00 H new ATOM 0 HA CYS B 25 2.221 2.549 0.782 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.858 0.792 -1.675 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.354 0.199 -0.102 1.00 0.00 H new ATOM 344 N ILE B 26 4.235 2.459 -1.853 1.00 0.00 N ATOM 345 CA ILE B 26 5.640 2.468 -2.267 1.00 0.00 C ATOM 346 C ILE B 26 6.405 3.550 -1.522 1.00 0.00 C ATOM 347 O ILE B 26 7.410 3.291 -0.858 1.00 0.00 O ATOM 348 CB ILE B 26 5.810 2.764 -3.778 1.00 0.00 C ATOM 349 CG1 ILE B 26 4.860 1.934 -4.641 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.250 2.524 -4.203 1.00 0.00 C ATOM 351 CD1 ILE B 26 4.921 0.453 -4.384 1.00 0.00 C ATOM 0 H ILE B 26 3.572 2.565 -2.621 1.00 0.00 H new ATOM 0 HA ILE B 26 6.024 1.473 -2.042 1.00 0.00 H new ATOM 0 HB ILE B 26 5.556 3.813 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE B 26 3.840 2.278 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.088 2.118 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.355 2.736 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE B 26 7.911 3.179 -3.635 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.517 1.485 -4.012 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.216 -0.059 -5.038 1.00 0.00 H new ATOM 0 HD12 ILE B 26 5.930 0.090 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.662 0.253 -3.344 1.00 0.00 H new ATOM 363 N ARG B 27 5.900 4.764 -1.640 1.00 0.00 N ATOM 364 CA ARG B 27 6.594 5.938 -1.131 1.00 0.00 C ATOM 365 C ARG B 27 6.506 6.026 0.386 1.00 0.00 C ATOM 366 O ARG B 27 7.514 5.934 1.086 1.00 0.00 O ATOM 367 CB ARG B 27 6.009 7.210 -1.739 1.00 0.00 C ATOM 368 CG ARG B 27 5.784 7.120 -3.233 1.00 0.00 C ATOM 369 CD ARG B 27 7.039 6.729 -3.991 1.00 0.00 C ATOM 370 NE ARG B 27 6.738 6.444 -5.389 1.00 0.00 N ATOM 371 CZ ARG B 27 7.631 6.027 -6.277 1.00 0.00 C ATOM 372 NH1 ARG B 27 8.907 5.899 -5.935 1.00 0.00 N ATOM 373 NH2 ARG B 27 7.247 5.758 -7.518 1.00 0.00 N ATOM 0 H ARG B 27 5.006 4.966 -2.087 1.00 0.00 H new ATOM 0 HA ARG B 27 7.642 5.841 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.061 7.433 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG B 27 6.679 8.044 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG B 27 5.000 6.390 -3.435 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.427 8.082 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG B 27 7.771 7.534 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG B 27 7.490 5.852 -3.526 1.00 0.00 H new ATOM 0 HE ARG B 27 5.777 6.574 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG B 27 9.205 6.122 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG B 27 9.589 5.578 -6.622 1.00 0.00 H new ATOM 0 HH21 ARG B 27 6.269 5.872 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG B 27 7.929 5.437 -8.205 1.00 0.00 H new ATOM 387 N LEU B 28 5.290 6.183 0.886 1.00 0.00 N ATOM 388 CA LEU B 28 5.072 6.504 2.289 1.00 0.00 C ATOM 389 C LEU B 28 5.317 5.301 3.190 1.00 0.00 C ATOM 390 O LEU B 28 6.035 5.400 4.188 1.00 0.00 O ATOM 391 CB LEU B 28 3.648 7.031 2.495 1.00 0.00 C ATOM 392 CG LEU B 28 3.280 8.266 1.666 1.00 0.00 C ATOM 393 CD1 LEU B 28 1.858 8.707 1.970 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.256 9.401 1.927 1.00 0.00 C ATOM 0 H LEU B 28 4.434 6.093 0.338 1.00 0.00 H new ATOM 0 HA LEU B 28 5.789 7.277 2.565 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.945 6.232 2.258 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.516 7.270 3.550 1.00 0.00 H new ATOM 0 HG LEU B 28 3.342 7.999 0.611 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.614 9.585 1.372 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.167 7.900 1.728 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.772 8.953 3.028 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.975 10.267 1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.231 9.667 2.984 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.263 9.084 1.657 1.00 0.00 H new ATOM 406 N GLU B 29 4.736 4.165 2.842 1.00 0.00 N ATOM 407 CA GLU B 29 4.817 2.992 3.698 1.00 0.00 C ATOM 408 C GLU B 29 5.990 2.105 3.325 1.00 0.00 C ATOM 409 O GLU B 29 6.236 1.077 3.960 1.00 0.00 O ATOM 410 CB GLU B 29 3.502 2.216 3.668 1.00 0.00 C ATOM 411 CG GLU B 29 2.372 2.994 4.316 1.00 0.00 C ATOM 412 CD GLU B 29 1.136 2.164 4.584 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.236 1.160 5.329 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.055 2.530 4.081 1.00 0.00 O ATOM 0 H GLU B 29 4.207 4.030 1.980 1.00 0.00 H new ATOM 0 HA GLU B 29 4.989 3.334 4.719 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.239 1.986 2.635 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.630 1.264 4.184 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.726 3.416 5.257 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.104 3.831 3.672 1.00 0.00 H new ATOM 421 N LYS B 30 6.719 2.538 2.306 1.00 0.00 N ATOM 422 CA LYS B 30 7.940 1.868 1.867 1.00 0.00 C ATOM 423 C LYS B 30 7.656 0.427 1.452 1.00 0.00 C ATOM 424 O LYS B 30 8.445 -0.484 1.711 1.00 0.00 O ATOM 425 CB LYS B 30 8.992 1.937 2.977 1.00 0.00 C ATOM 426 CG LYS B 30 9.443 3.360 3.274 1.00 0.00 C ATOM 427 CD LYS B 30 10.183 3.462 4.598 1.00 0.00 C ATOM 428 CE LYS B 30 9.243 3.296 5.783 1.00 0.00 C ATOM 429 NZ LYS B 30 8.226 4.379 5.851 1.00 0.00 N ATOM 0 H LYS B 30 6.482 3.365 1.758 1.00 0.00 H new ATOM 0 HA LYS B 30 8.331 2.381 0.988 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.585 1.493 3.885 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.857 1.339 2.689 1.00 0.00 H new ATOM 0 HG2 LYS B 30 10.090 3.710 2.470 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.574 4.018 3.293 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.960 2.699 4.640 1.00 0.00 H new ATOM 0 HD3 LYS B 30 10.682 4.429 4.662 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.740 2.332 5.713 1.00 0.00 H new ATOM 0 HE3 LYS B 30 9.823 3.286 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 7.766 4.366 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.689 5.299 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 7.511 4.231 5.111 1.00 0.00 H new ATOM 443 N ALA B 31 6.519 0.239 0.802 1.00 0.00 N ATOM 444 CA ALA B 31 6.097 -1.068 0.335 1.00 0.00 C ATOM 445 C ALA B 31 6.640 -1.333 -1.061 1.00 0.00 C ATOM 446 O ALA B 31 6.862 -0.406 -1.840 1.00 0.00 O ATOM 447 CB ALA B 31 4.580 -1.152 0.340 1.00 0.00 C ATOM 0 H ALA B 31 5.864 0.990 0.584 1.00 0.00 H new ATOM 0 HA ALA B 31 6.494 -1.829 1.007 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.269 -2.136 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.210 -0.995 1.353 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.171 -0.385 -0.318 1.00 0.00 H new ATOM 453 N ARG B 32 6.865 -2.603 -1.368 1.00 0.00 N ATOM 454 CA ARG B 32 7.401 -2.994 -2.660 1.00 0.00 C ATOM 455 C ARG B 32 6.297 -3.096 -3.699 1.00 0.00 C ATOM 456 O ARG B 32 6.539 -2.972 -4.898 1.00 0.00 O ATOM 457 CB ARG B 32 8.111 -4.333 -2.533 1.00 0.00 C ATOM 458 CG ARG B 32 9.217 -4.333 -1.496 1.00 0.00 C ATOM 459 CD ARG B 32 10.259 -3.266 -1.784 1.00 0.00 C ATOM 460 NE ARG B 32 11.347 -3.300 -0.814 1.00 0.00 N ATOM 461 CZ ARG B 32 12.005 -2.223 -0.383 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.671 -1.013 -0.816 1.00 0.00 N ATOM 463 NH2 ARG B 32 12.989 -2.357 0.495 1.00 0.00 N ATOM 0 H ARG B 32 6.683 -3.382 -0.735 1.00 0.00 H new ATOM 0 HA ARG B 32 8.108 -2.231 -2.985 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.381 -5.100 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.531 -4.606 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.789 -4.166 -0.508 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.695 -5.312 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG B 32 10.661 -3.411 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG B 32 9.788 -2.283 -1.768 1.00 0.00 H new ATOM 0 HE ARG B 32 11.623 -4.208 -0.440 1.00 0.00 H new ATOM 0 HH11 ARG B 32 10.907 -0.903 -1.483 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.179 -0.194 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG B 32 13.242 -3.283 0.840 1.00 0.00 H new ATOM 0 HH22 ARG B 32 13.493 -1.534 0.826 1.00 0.00 H new ATOM 477 N HIS B 33 5.090 -3.342 -3.223 1.00 0.00 N ATOM 478 CA HIS B 33 3.926 -3.441 -4.087 1.00 0.00 C ATOM 479 C HIS B 33 2.675 -3.064 -3.296 1.00 0.00 C ATOM 480 O HIS B 33 2.729 -2.938 -2.076 1.00 0.00 O ATOM 481 CB HIS B 33 3.819 -4.868 -4.660 1.00 0.00 C ATOM 482 CG HIS B 33 2.644 -5.091 -5.569 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.527 -4.505 -6.809 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.519 -5.829 -5.398 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.384 -4.867 -7.360 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.754 -5.672 -6.525 1.00 0.00 N ATOM 0 H HIS B 33 4.889 -3.478 -2.232 1.00 0.00 H new ATOM 0 HA HIS B 33 4.025 -2.750 -4.925 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.734 -5.095 -5.208 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.760 -5.574 -3.832 1.00 0.00 H new ATOM 0 HD2 HIS B 33 1.272 -6.429 -4.535 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.025 -4.557 -8.330 1.00 0.00 H new ATOM 0 HE2 HIS B 33 -0.154 -6.106 -6.691 1.00 0.00 H new ATOM 495 N GLY B 34 1.572 -2.852 -3.993 1.00 0.00 N ATOM 496 CA GLY B 34 0.309 -2.591 -3.340 1.00 0.00 C ATOM 497 C GLY B 34 -0.838 -2.738 -4.307 1.00 0.00 C ATOM 498 O GLY B 34 -0.624 -2.734 -5.521 1.00 0.00 O ATOM 0 H GLY B 34 1.530 -2.856 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY B 34 0.177 -3.280 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.312 -1.584 -2.924 1.00 0.00 H new ATOM 502 N SER B 35 -2.041 -2.883 -3.786 1.00 0.00 N ATOM 503 CA SER B 35 -3.217 -3.025 -4.623 1.00 0.00 C ATOM 504 C SER B 35 -4.466 -2.675 -3.834 1.00 0.00 C ATOM 505 O SER B 35 -4.545 -2.942 -2.633 1.00 0.00 O ATOM 506 CB SER B 35 -3.320 -4.456 -5.161 1.00 0.00 C ATOM 507 OG SER B 35 -3.454 -5.396 -4.104 1.00 0.00 O ATOM 0 H SER B 35 -2.230 -2.906 -2.784 1.00 0.00 H new ATOM 0 HA SER B 35 -3.128 -2.340 -5.466 1.00 0.00 H new ATOM 0 HB2 SER B 35 -4.176 -4.534 -5.831 1.00 0.00 H new ATOM 0 HB3 SER B 35 -2.433 -4.691 -5.749 1.00 0.00 H new ATOM 0 HG SER B 35 -2.572 -5.589 -3.724 1.00 0.00 H new ATOM 513 N CYS B 36 -5.436 -2.078 -4.502 1.00 0.00 N ATOM 514 CA CYS B 36 -6.698 -1.754 -3.866 1.00 0.00 C ATOM 515 C CYS B 36 -7.584 -2.991 -3.867 1.00 0.00 C ATOM 516 O CYS B 36 -8.520 -3.114 -4.662 1.00 0.00 O ATOM 517 CB CYS B 36 -7.374 -0.596 -4.593 1.00 0.00 C ATOM 518 SG CYS B 36 -8.640 0.269 -3.617 1.00 0.00 S ATOM 0 H CYS B 36 -5.374 -1.808 -5.484 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.524 -1.442 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.611 0.122 -4.894 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.833 -0.975 -5.506 1.00 0.00 H new ATOM 523 N ASN B 37 -7.263 -3.908 -2.968 1.00 0.00 N ATOM 524 CA ASN B 37 -7.898 -5.216 -2.917 1.00 0.00 C ATOM 525 C ASN B 37 -9.357 -5.105 -2.516 1.00 0.00 C ATOM 526 O ASN B 37 -9.759 -4.171 -1.815 1.00 0.00 O ATOM 527 CB ASN B 37 -7.127 -6.122 -1.949 1.00 0.00 C ATOM 528 CG ASN B 37 -7.966 -6.703 -0.833 1.00 0.00 C ATOM 529 OD1 ASN B 37 -8.482 -7.817 -0.932 1.00 0.00 O ATOM 530 ND2 ASN B 37 -8.128 -5.933 0.223 1.00 0.00 N ATOM 0 H ASN B 37 -6.552 -3.766 -2.250 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.872 -5.658 -3.913 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -6.680 -6.940 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.308 -5.552 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.701 -6.252 1.004 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.680 -5.017 0.260 1.00 0.00 H new ATOM 537 N TYR B 38 -10.145 -6.062 -2.963 1.00 0.00 N ATOM 538 CA TYR B 38 -11.563 -6.053 -2.680 1.00 0.00 C ATOM 539 C TYR B 38 -11.858 -6.806 -1.397 1.00 0.00 C ATOM 540 O TYR B 38 -12.296 -7.957 -1.419 1.00 0.00 O ATOM 541 CB TYR B 38 -12.368 -6.651 -3.834 1.00 0.00 C ATOM 542 CG TYR B 38 -13.863 -6.574 -3.613 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.495 -5.347 -3.475 1.00 0.00 C ATOM 544 CD2 TYR B 38 -14.637 -7.723 -3.526 1.00 0.00 C ATOM 545 CE1 TYR B 38 -15.856 -5.265 -3.263 1.00 0.00 C ATOM 546 CE2 TYR B 38 -15.999 -7.650 -3.313 1.00 0.00 C ATOM 547 CZ TYR B 38 -16.604 -6.418 -3.183 1.00 0.00 C ATOM 548 OH TYR B 38 -17.962 -6.338 -2.966 1.00 0.00 O ATOM 0 H TYR B 38 -9.827 -6.853 -3.522 1.00 0.00 H new ATOM 0 HA TYR B 38 -11.865 -5.013 -2.558 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -12.115 -6.128 -4.756 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -12.079 -7.693 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -13.912 -4.440 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -14.166 -8.690 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.332 -4.301 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -16.588 -8.553 -3.249 1.00 0.00 H new ATOM 0 HH TYR B 38 -18.195 -6.847 -2.161 1.00 0.00 H new ATOM 558 N VAL B 39 -11.586 -6.168 -0.281 1.00 0.00 N ATOM 559 CA VAL B 39 -12.033 -6.684 0.992 1.00 0.00 C ATOM 560 C VAL B 39 -13.500 -6.309 1.180 1.00 0.00 C ATOM 561 O VAL B 39 -13.832 -5.162 1.492 1.00 0.00 O ATOM 562 CB VAL B 39 -11.161 -6.183 2.172 1.00 0.00 C ATOM 563 CG1 VAL B 39 -10.993 -4.672 2.138 1.00 0.00 C ATOM 564 CG2 VAL B 39 -11.744 -6.633 3.505 1.00 0.00 C ATOM 0 H VAL B 39 -11.060 -5.296 -0.229 1.00 0.00 H new ATOM 0 HA VAL B 39 -11.928 -7.769 0.988 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.172 -6.627 2.063 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -10.376 -4.355 2.979 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -10.511 -4.380 1.205 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.971 -4.196 2.205 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.115 -6.270 4.318 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.751 -6.230 3.617 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.784 -7.722 3.536 1.00 0.00 H new ATOM 574 N PHE B 40 -14.366 -7.287 0.931 1.00 0.00 N ATOM 575 CA PHE B 40 -15.811 -7.087 0.924 1.00 0.00 C ATOM 576 C PHE B 40 -16.260 -6.222 2.102 1.00 0.00 C ATOM 577 O PHE B 40 -15.830 -6.436 3.238 1.00 0.00 O ATOM 578 CB PHE B 40 -16.512 -8.449 0.963 1.00 0.00 C ATOM 579 CG PHE B 40 -17.996 -8.390 0.741 1.00 0.00 C ATOM 580 CD1 PHE B 40 -18.509 -8.355 -0.542 1.00 0.00 C ATOM 581 CD2 PHE B 40 -18.875 -8.374 1.811 1.00 0.00 C ATOM 582 CE1 PHE B 40 -19.870 -8.303 -0.758 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.240 -8.323 1.602 1.00 0.00 C ATOM 584 CZ PHE B 40 -20.737 -8.287 0.315 1.00 0.00 C ATOM 0 H PHE B 40 -14.083 -8.246 0.727 1.00 0.00 H new ATOM 0 HA PHE B 40 -16.084 -6.561 0.009 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -16.069 -9.094 0.204 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -16.320 -8.915 1.929 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -17.835 -8.369 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -18.490 -8.402 2.820 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.257 -8.275 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.916 -8.311 2.444 1.00 0.00 H new ATOM 0 HZ PHE B 40 -21.803 -8.246 0.148 1.00 0.00 H new ATOM 594 N PRO B 41 -17.145 -5.243 1.855 1.00 0.00 N ATOM 595 CA PRO B 41 -17.773 -5.013 0.557 1.00 0.00 C ATOM 596 C PRO B 41 -17.159 -3.862 -0.255 1.00 0.00 C ATOM 597 O PRO B 41 -17.840 -3.272 -1.095 1.00 0.00 O ATOM 598 CB PRO B 41 -19.183 -4.636 0.996 1.00 0.00 C ATOM 599 CG PRO B 41 -18.983 -3.855 2.262 1.00 0.00 C ATOM 600 CD PRO B 41 -17.654 -4.286 2.846 1.00 0.00 C ATOM 0 HA PRO B 41 -17.675 -5.872 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -19.689 -4.040 0.237 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -19.796 -5.521 1.168 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -18.985 -2.784 2.058 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -19.793 -4.047 2.965 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -16.978 -3.441 2.974 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -17.776 -4.748 3.826 1.00 0.00 H new ATOM 608 N ALA B 42 -15.891 -3.544 -0.027 1.00 0.00 N ATOM 609 CA ALA B 42 -15.286 -2.388 -0.688 1.00 0.00 C ATOM 610 C ALA B 42 -13.853 -2.657 -1.136 1.00 0.00 C ATOM 611 O ALA B 42 -13.225 -3.623 -0.712 1.00 0.00 O ATOM 612 CB ALA B 42 -15.320 -1.186 0.247 1.00 0.00 C ATOM 0 H ALA B 42 -15.269 -4.057 0.598 1.00 0.00 H new ATOM 0 HA ALA B 42 -15.871 -2.182 -1.584 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -14.868 -0.327 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.354 -0.955 0.505 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -14.762 -1.415 1.155 1.00 0.00 H new ATOM 618 N HIS B 43 -13.355 -1.803 -2.021 1.00 0.00 N ATOM 619 CA HIS B 43 -11.956 -1.839 -2.418 1.00 0.00 C ATOM 620 C HIS B 43 -11.142 -0.948 -1.494 1.00 0.00 C ATOM 621 O HIS B 43 -11.361 0.265 -1.432 1.00 0.00 O ATOM 622 CB HIS B 43 -11.773 -1.384 -3.872 1.00 0.00 C ATOM 623 CG HIS B 43 -12.091 -2.436 -4.890 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.127 -3.233 -5.469 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.267 -2.815 -5.441 1.00 0.00 C ATOM 626 CE1 HIS B 43 -11.695 -4.055 -6.329 1.00 0.00 C ATOM 627 NE2 HIS B 43 -12.995 -3.826 -6.332 1.00 0.00 N ATOM 0 H HIS B 43 -13.903 -1.074 -2.478 1.00 0.00 H new ATOM 0 HA HIS B 43 -11.608 -2.869 -2.342 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.408 -0.517 -4.052 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -10.742 -1.059 -4.012 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.129 -3.193 -5.264 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.240 -2.400 -5.221 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.183 -4.792 -6.930 1.00 0.00 H new ATOM 636 N LYS B 44 -10.211 -1.550 -0.776 1.00 0.00 N ATOM 637 CA LYS B 44 -9.410 -0.823 0.192 1.00 0.00 C ATOM 638 C LYS B 44 -7.944 -0.899 -0.169 1.00 0.00 C ATOM 639 O LYS B 44 -7.500 -1.834 -0.838 1.00 0.00 O ATOM 640 CB LYS B 44 -9.637 -1.375 1.599 1.00 0.00 C ATOM 641 CG LYS B 44 -11.022 -1.074 2.135 1.00 0.00 C ATOM 642 CD LYS B 44 -11.170 0.386 2.526 1.00 0.00 C ATOM 643 CE LYS B 44 -12.611 0.728 2.873 1.00 0.00 C ATOM 644 NZ LYS B 44 -13.144 -0.118 3.973 1.00 0.00 N ATOM 0 H LYS B 44 -9.991 -2.543 -0.845 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.719 0.222 0.175 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.483 -2.454 1.589 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.892 -0.953 2.274 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.767 -1.325 1.380 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -11.221 -1.704 3.002 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -10.528 0.602 3.380 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -10.832 1.019 1.706 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -12.673 1.777 3.162 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -13.235 0.604 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -14.091 0.218 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -13.206 -1.106 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -12.509 -0.060 4.795 1.00 0.00 H new ATOM 658 N CYS B 45 -7.202 0.089 0.282 1.00 0.00 N ATOM 659 CA CYS B 45 -5.796 0.199 -0.056 1.00 0.00 C ATOM 660 C CYS B 45 -4.980 -0.798 0.754 1.00 0.00 C ATOM 661 O CYS B 45 -4.851 -0.673 1.975 1.00 0.00 O ATOM 662 CB CYS B 45 -5.301 1.624 0.190 1.00 0.00 C ATOM 663 SG CYS B 45 -3.693 1.992 -0.580 1.00 0.00 S ATOM 0 H CYS B 45 -7.550 0.833 0.887 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.671 -0.031 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -6.043 2.326 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.225 1.791 1.264 1.00 0.00 H new ATOM 668 N ILE B 46 -4.455 -1.805 0.073 1.00 0.00 N ATOM 669 CA ILE B 46 -3.683 -2.846 0.722 1.00 0.00 C ATOM 670 C ILE B 46 -2.257 -2.876 0.176 1.00 0.00 C ATOM 671 O ILE B 46 -2.037 -3.132 -1.012 1.00 0.00 O ATOM 672 CB ILE B 46 -4.352 -4.234 0.548 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.723 -4.271 1.220 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.471 -5.334 1.109 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.702 -3.954 2.696 1.00 0.00 C ATOM 0 H ILE B 46 -4.552 -1.921 -0.936 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.648 -2.618 1.787 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.485 -4.403 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.380 -3.561 0.717 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.157 -5.261 1.079 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.962 -6.298 0.975 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.515 -5.338 0.585 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.301 -5.158 2.171 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.716 -4.003 3.093 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -5.074 -4.678 3.215 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.301 -2.952 2.847 1.00 0.00 H new ATOM 687 N CYS B 47 -1.300 -2.602 1.049 1.00 0.00 N ATOM 688 CA CYS B 47 0.108 -2.571 0.676 1.00 0.00 C ATOM 689 C CYS B 47 0.710 -3.970 0.781 1.00 0.00 C ATOM 690 O CYS B 47 0.226 -4.800 1.540 1.00 0.00 O ATOM 691 CB CYS B 47 0.870 -1.611 1.591 1.00 0.00 C ATOM 692 SG CYS B 47 0.099 0.034 1.767 1.00 0.00 S ATOM 0 H CYS B 47 -1.475 -2.395 2.032 1.00 0.00 H new ATOM 0 HA CYS B 47 0.191 -2.225 -0.354 1.00 0.00 H new ATOM 0 HB2 CYS B 47 0.960 -2.064 2.578 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.881 -1.485 1.204 1.00 0.00 H new ATOM 697 N TYR B 48 1.749 -4.238 0.005 1.00 0.00 N ATOM 698 CA TYR B 48 2.416 -5.535 0.034 1.00 0.00 C ATOM 699 C TYR B 48 3.844 -5.403 0.530 1.00 0.00 C ATOM 700 O TYR B 48 4.611 -4.564 0.044 1.00 0.00 O ATOM 701 CB TYR B 48 2.425 -6.173 -1.353 1.00 0.00 C ATOM 702 CG TYR B 48 1.079 -6.676 -1.812 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.038 -5.860 -1.774 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.934 -7.963 -2.307 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.260 -6.301 -2.210 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.292 -8.421 -2.744 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.390 -7.584 -2.695 1.00 0.00 C ATOM 708 OH TYR B 48 -2.616 -8.023 -3.139 1.00 0.00 O ATOM 0 H TYR B 48 2.151 -3.573 -0.656 1.00 0.00 H new ATOM 0 HA TYR B 48 1.857 -6.172 0.720 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.792 -5.443 -2.074 1.00 0.00 H new ATOM 0 HB3 TYR B 48 3.130 -7.004 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR B 48 0.055 -4.854 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.793 -8.616 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.118 -5.646 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.393 -9.428 -3.122 1.00 0.00 H new ATOM 0 HH TYR B 48 -3.245 -7.272 -3.159 1.00 0.00 H new ATOM 718 N PHE B 49 4.197 -6.243 1.486 1.00 0.00 N ATOM 719 CA PHE B 49 5.531 -6.240 2.060 1.00 0.00 C ATOM 720 C PHE B 49 6.136 -7.635 1.989 1.00 0.00 C ATOM 721 O PHE B 49 5.427 -8.631 2.147 1.00 0.00 O ATOM 722 CB PHE B 49 5.470 -5.759 3.509 1.00 0.00 C ATOM 723 CG PHE B 49 5.018 -4.335 3.641 1.00 0.00 C ATOM 724 CD1 PHE B 49 5.930 -3.300 3.558 1.00 0.00 C ATOM 725 CD2 PHE B 49 3.679 -4.028 3.835 1.00 0.00 C ATOM 726 CE1 PHE B 49 5.521 -1.987 3.669 1.00 0.00 C ATOM 727 CE2 PHE B 49 3.267 -2.717 3.945 1.00 0.00 C ATOM 728 CZ PHE B 49 4.188 -1.695 3.862 1.00 0.00 C ATOM 0 H PHE B 49 3.571 -6.943 1.885 1.00 0.00 H new ATOM 0 HA PHE B 49 6.163 -5.560 1.489 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.792 -6.402 4.070 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.456 -5.864 3.961 1.00 0.00 H new ATOM 0 HD1 PHE B 49 6.976 -3.522 3.404 1.00 0.00 H new ATOM 0 HD2 PHE B 49 2.952 -4.824 3.901 1.00 0.00 H new ATOM 0 HE1 PHE B 49 6.245 -1.188 3.605 1.00 0.00 H new ATOM 0 HE2 PHE B 49 2.222 -2.491 4.096 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.866 -0.668 3.948 1.00 0.00 H new ATOM 738 N PRO B 50 7.452 -7.727 1.716 1.00 0.00 N ATOM 739 CA PRO B 50 8.161 -9.008 1.647 1.00 0.00 C ATOM 740 C PRO B 50 7.929 -9.849 2.889 1.00 0.00 C ATOM 741 O PRO B 50 8.251 -9.434 4.004 1.00 0.00 O ATOM 742 CB PRO B 50 9.627 -8.603 1.537 1.00 0.00 C ATOM 743 CG PRO B 50 9.590 -7.258 0.906 1.00 0.00 C ATOM 744 CD PRO B 50 8.353 -6.591 1.440 1.00 0.00 C ATOM 0 HA PRO B 50 7.820 -9.623 0.814 1.00 0.00 H new ATOM 0 HB2 PRO B 50 10.105 -8.570 2.516 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.191 -9.312 0.930 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.483 -6.684 1.155 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.554 -7.336 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.563 -6.015 2.341 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.922 -5.902 0.714 1.00 0.00 H new ATOM 752 N CYS B 51 7.348 -11.012 2.689 1.00 0.00 N ATOM 753 CA CYS B 51 7.011 -11.895 3.792 1.00 0.00 C ATOM 754 C CYS B 51 8.117 -12.922 4.009 1.00 0.00 C ATOM 755 O CYS B 51 8.872 -12.787 4.994 1.00 0.00 O ATOM 756 CB CYS B 51 5.685 -12.593 3.506 1.00 0.00 C ATOM 757 SG CYS B 51 4.768 -13.103 4.990 1.00 0.00 S ATOM 758 OXT CYS B 51 8.249 -13.839 3.176 1.00 0.00 O ATOM 0 H CYS B 51 7.097 -11.372 1.768 1.00 0.00 H new ATOM 0 HA CYS B 51 6.911 -11.303 4.702 1.00 0.00 H new ATOM 0 HB2 CYS B 51 5.056 -11.925 2.917 1.00 0.00 H new ATOM 0 HB3 CYS B 51 5.877 -13.473 2.892 1.00 0.00 H new TER 763 CYS B 51