USER MOD reduce.3.24.130724 H: found=0, std=0, add=370, rem=0, adj=9 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 18 ASN : amide:sc=-0.00409 K(o=-0.58,f=-4.5!) USER MOD Set 1.2: B 35 SER OG : rot 180:sc= -0.581 USER MOD Set 2.1: B 8 SER OG : rot 52:sc= 1.46 USER MOD Set 2.2: B 10 THR OG1 : rot -82:sc= 1.84 USER MOD Set 2.3: B 24 GLN : amide:sc= 0.343 K(o=3.6,f=3.1) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 23 ASN : amide:sc= -0.0315 K(o=-0.032,f=-1.4) USER MOD Single : B 30 LYS NZ :NH3+ 168:sc= -0.0335 (180deg=-0.228) USER MOD Single : B 33 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.56) USER MOD Single : B 37 ASN : amide:sc= -6.85! C(o=-6.9!,f=-4.6!) USER MOD Single : B 38 TYR OH : rot -142:sc= 0.151 USER MOD Single : B 43 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : B 44 LYS NZ :NH3+ -159:sc= -0.0905 (180deg=-0.476) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 4.366 -15.550 -4.900 1.00 0.00 N HETATM 2 CA PCA B 1 4.363 -14.166 -4.395 1.00 0.00 C HETATM 3 CB PCA B 1 2.931 -13.623 -4.438 1.00 0.00 C HETATM 4 CG PCA B 1 2.116 -14.759 -4.975 1.00 0.00 C HETATM 5 CD PCA B 1 3.125 -15.869 -5.194 1.00 0.00 C HETATM 6 OE PCA B 1 2.831 -16.869 -5.854 1.00 0.00 O HETATM 7 C PCA B 1 4.903 -14.114 -2.973 1.00 0.00 C HETATM 8 O PCA B 1 4.220 -14.500 -2.026 1.00 0.00 O HETATM 0 H2 PCA B 1 3.994 -15.566 -5.871 1.00 0.00 H new HETATM 0 HA PCA B 1 5.008 -13.552 -5.024 1.00 0.00 H new HETATM 0 HB2 PCA B 1 2.590 -13.323 -3.447 1.00 0.00 H new HETATM 0 HB3 PCA B 1 2.859 -12.744 -5.079 1.00 0.00 H new HETATM 0 HG2 PCA B 1 1.340 -15.060 -4.272 1.00 0.00 H new HETATM 0 HG3 PCA B 1 1.616 -14.486 -5.904 1.00 0.00 H new ATOM 13 N ARG B 2 6.125 -13.616 -2.822 1.00 0.00 N ATOM 14 CA ARG B 2 6.778 -13.566 -1.514 1.00 0.00 C ATOM 15 C ARG B 2 6.376 -12.312 -0.743 1.00 0.00 C ATOM 16 O ARG B 2 7.188 -11.681 -0.069 1.00 0.00 O ATOM 17 CB ARG B 2 8.307 -13.669 -1.669 1.00 0.00 C ATOM 18 CG ARG B 2 8.904 -12.803 -2.769 1.00 0.00 C ATOM 19 CD ARG B 2 9.114 -11.378 -2.312 1.00 0.00 C ATOM 20 NE ARG B 2 10.173 -11.275 -1.307 1.00 0.00 N ATOM 21 CZ ARG B 2 10.933 -10.197 -1.126 1.00 0.00 C ATOM 22 NH1 ARG B 2 10.741 -9.107 -1.862 1.00 0.00 N ATOM 23 NH2 ARG B 2 11.887 -10.210 -0.202 1.00 0.00 N ATOM 0 H ARG B 2 6.685 -13.241 -3.587 1.00 0.00 H new ATOM 0 HA ARG B 2 6.441 -14.424 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG B 2 8.772 -13.397 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG B 2 8.568 -14.709 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG B 2 9.857 -13.226 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG B 2 8.245 -12.813 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG B 2 9.367 -10.756 -3.170 1.00 0.00 H new ATOM 0 HD3 ARG B 2 8.183 -10.989 -1.899 1.00 0.00 H new ATOM 0 HE ARG B 2 10.340 -12.082 -0.706 1.00 0.00 H new ATOM 0 HH11 ARG B 2 10.008 -9.093 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG B 2 11.327 -8.285 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG B 2 12.035 -11.044 0.366 1.00 0.00 H new ATOM 0 HH22 ARG B 2 12.471 -9.386 -0.061 1.00 0.00 H new ATOM 37 N LEU B 3 5.104 -11.981 -0.824 1.00 0.00 N ATOM 38 CA LEU B 3 4.587 -10.768 -0.223 1.00 0.00 C ATOM 39 C LEU B 3 3.402 -11.081 0.676 1.00 0.00 C ATOM 40 O LEU B 3 2.537 -11.882 0.321 1.00 0.00 O ATOM 41 CB LEU B 3 4.157 -9.780 -1.313 1.00 0.00 C ATOM 42 CG LEU B 3 5.281 -9.253 -2.213 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.701 -8.572 -3.441 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.168 -8.281 -1.449 1.00 0.00 C ATOM 0 H LEU B 3 4.402 -12.542 -1.306 1.00 0.00 H new ATOM 0 HA LEU B 3 5.378 -10.320 0.378 1.00 0.00 H new ATOM 0 HB2 LEU B 3 3.410 -10.264 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.670 -8.930 -0.835 1.00 0.00 H new ATOM 0 HG LEU B 3 5.887 -10.100 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.512 -8.203 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU B 3 4.101 -9.287 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.073 -7.736 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.959 -7.918 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.570 -7.439 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.611 -8.789 -0.592 1.00 0.00 H new ATOM 56 N CYS B 4 3.386 -10.467 1.844 1.00 0.00 N ATOM 57 CA CYS B 4 2.241 -10.540 2.736 1.00 0.00 C ATOM 58 C CYS B 4 1.607 -9.162 2.835 1.00 0.00 C ATOM 59 O CYS B 4 2.254 -8.196 3.250 1.00 0.00 O ATOM 60 CB CYS B 4 2.648 -11.061 4.120 1.00 0.00 C ATOM 61 SG CYS B 4 2.834 -12.877 4.208 1.00 0.00 S ATOM 0 H CYS B 4 4.160 -9.907 2.201 1.00 0.00 H new ATOM 0 HA CYS B 4 1.514 -11.245 2.332 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.590 -10.596 4.409 1.00 0.00 H new ATOM 0 HB3 CYS B 4 1.901 -10.747 4.849 1.00 0.00 H new ATOM 66 N GLU B 5 0.358 -9.073 2.406 1.00 0.00 N ATOM 67 CA GLU B 5 -0.331 -7.800 2.301 1.00 0.00 C ATOM 68 C GLU B 5 -0.594 -7.182 3.671 1.00 0.00 C ATOM 69 O GLU B 5 -0.725 -7.882 4.679 1.00 0.00 O ATOM 70 CB GLU B 5 -1.655 -7.953 1.547 1.00 0.00 C ATOM 71 CG GLU B 5 -1.552 -8.714 0.234 1.00 0.00 C ATOM 72 CD GLU B 5 -1.761 -10.207 0.394 1.00 0.00 C ATOM 73 OE1 GLU B 5 -0.836 -10.901 0.863 1.00 0.00 O ATOM 74 OE2 GLU B 5 -2.854 -10.698 0.039 1.00 0.00 O ATOM 0 H GLU B 5 -0.202 -9.877 2.123 1.00 0.00 H new ATOM 0 HA GLU B 5 0.325 -7.132 1.743 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.369 -8.464 2.193 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -2.060 -6.961 1.346 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.291 -8.323 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.571 -8.536 -0.206 1.00 0.00 H new ATOM 81 N LYS B 6 -0.671 -5.864 3.686 1.00 0.00 N ATOM 82 CA LYS B 6 -0.918 -5.103 4.894 1.00 0.00 C ATOM 83 C LYS B 6 -1.818 -3.919 4.563 1.00 0.00 C ATOM 84 O LYS B 6 -1.569 -3.205 3.594 1.00 0.00 O ATOM 85 CB LYS B 6 0.404 -4.595 5.469 1.00 0.00 C ATOM 86 CG LYS B 6 0.283 -3.973 6.847 1.00 0.00 C ATOM 87 CD LYS B 6 1.637 -3.535 7.373 1.00 0.00 C ATOM 88 CE LYS B 6 1.515 -2.886 8.739 1.00 0.00 C ATOM 89 NZ LYS B 6 2.841 -2.529 9.306 1.00 0.00 N ATOM 0 H LYS B 6 -0.563 -5.288 2.852 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.404 -5.742 5.632 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.109 -5.425 5.518 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.826 -3.858 4.785 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.388 -3.115 6.804 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.162 -4.692 7.535 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.301 -4.397 7.436 1.00 0.00 H new ATOM 0 HD3 LYS B 6 2.091 -2.833 6.674 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.901 -1.989 8.661 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.001 -3.566 9.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.712 -2.088 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.419 -3.388 9.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.321 -1.860 8.671 1.00 0.00 H new ATOM 103 N PRO B 7 -2.881 -3.701 5.347 1.00 0.00 N ATOM 104 CA PRO B 7 -3.787 -2.570 5.138 1.00 0.00 C ATOM 105 C PRO B 7 -3.050 -1.239 5.202 1.00 0.00 C ATOM 106 O PRO B 7 -2.290 -0.990 6.140 1.00 0.00 O ATOM 107 CB PRO B 7 -4.795 -2.690 6.287 1.00 0.00 C ATOM 108 CG PRO B 7 -4.151 -3.593 7.282 1.00 0.00 C ATOM 109 CD PRO B 7 -3.288 -4.528 6.490 1.00 0.00 C ATOM 0 HA PRO B 7 -4.256 -2.595 4.154 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -5.012 -1.715 6.723 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.742 -3.101 5.938 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.557 -3.025 7.998 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.900 -4.142 7.853 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.430 -4.873 7.066 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.836 -5.415 6.173 1.00 0.00 H new ATOM 117 N SER B 8 -3.261 -0.400 4.194 1.00 0.00 N ATOM 118 CA SER B 8 -2.571 0.879 4.105 1.00 0.00 C ATOM 119 C SER B 8 -2.843 1.731 5.335 1.00 0.00 C ATOM 120 O SER B 8 -3.989 1.881 5.765 1.00 0.00 O ATOM 121 CB SER B 8 -2.997 1.639 2.846 1.00 0.00 C ATOM 122 OG SER B 8 -2.389 2.921 2.795 1.00 0.00 O ATOM 0 H SER B 8 -3.906 -0.584 3.426 1.00 0.00 H new ATOM 0 HA SER B 8 -1.502 0.674 4.050 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.721 1.066 1.961 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.082 1.746 2.831 1.00 0.00 H new ATOM 0 HG SER B 8 -1.421 2.829 2.919 1.00 0.00 H new ATOM 128 N GLY B 9 -1.781 2.287 5.894 1.00 0.00 N ATOM 129 CA GLY B 9 -1.913 3.143 7.048 1.00 0.00 C ATOM 130 C GLY B 9 -1.731 4.595 6.680 1.00 0.00 C ATOM 131 O GLY B 9 -1.589 5.454 7.549 1.00 0.00 O ATOM 0 H GLY B 9 -0.824 2.158 5.565 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.895 3.001 7.498 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.175 2.861 7.799 1.00 0.00 H new ATOM 135 N THR B 10 -1.733 4.865 5.385 1.00 0.00 N ATOM 136 CA THR B 10 -1.581 6.219 4.891 1.00 0.00 C ATOM 137 C THR B 10 -2.828 6.629 4.127 1.00 0.00 C ATOM 138 O THR B 10 -3.109 7.812 3.940 1.00 0.00 O ATOM 139 CB THR B 10 -0.343 6.348 3.986 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.320 5.281 3.024 1.00 0.00 O ATOM 141 CG2 THR B 10 0.935 6.327 4.811 1.00 0.00 C ATOM 0 H THR B 10 -1.839 4.159 4.656 1.00 0.00 H new ATOM 0 HA THR B 10 -1.443 6.881 5.746 1.00 0.00 H new ATOM 0 HB THR B 10 -0.402 7.302 3.463 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.053 4.475 3.438 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.797 6.420 4.150 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.927 7.159 5.515 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.998 5.387 5.360 1.00 0.00 H new ATOM 149 N TRP B 11 -3.576 5.630 3.690 1.00 0.00 N ATOM 150 CA TRP B 11 -4.828 5.855 3.002 1.00 0.00 C ATOM 151 C TRP B 11 -5.954 5.961 4.024 1.00 0.00 C ATOM 152 O TRP B 11 -5.759 5.673 5.209 1.00 0.00 O ATOM 153 CB TRP B 11 -5.091 4.705 2.033 1.00 0.00 C ATOM 154 CG TRP B 11 -5.988 5.055 0.882 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.354 5.018 0.850 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.569 5.465 -0.425 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.807 5.421 -0.378 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.731 5.690 -1.182 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.321 5.674 -1.026 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.686 6.109 -2.508 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.279 6.085 -2.343 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.453 6.300 -3.073 1.00 0.00 C ATOM 0 H TRP B 11 -3.331 4.646 3.803 1.00 0.00 H new ATOM 0 HA TRP B 11 -4.778 6.785 2.435 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -4.137 4.352 1.640 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.535 3.876 2.584 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -7.984 4.715 1.673 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.786 5.507 -0.650 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.409 5.517 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.591 6.278 -3.072 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.322 6.244 -2.819 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.386 6.623 -4.101 1.00 0.00 H new ATOM 173 N SER B 12 -7.123 6.358 3.561 1.00 0.00 N ATOM 174 CA SER B 12 -8.276 6.540 4.432 1.00 0.00 C ATOM 175 C SER B 12 -9.551 6.058 3.746 1.00 0.00 C ATOM 176 O SER B 12 -9.906 6.543 2.670 1.00 0.00 O ATOM 177 CB SER B 12 -8.421 8.014 4.823 1.00 0.00 C ATOM 178 OG SER B 12 -7.243 8.500 5.450 1.00 0.00 O ATOM 0 H SER B 12 -7.304 6.563 2.578 1.00 0.00 H new ATOM 0 HA SER B 12 -8.118 5.947 5.333 1.00 0.00 H new ATOM 0 HB2 SER B 12 -8.635 8.609 3.935 1.00 0.00 H new ATOM 0 HB3 SER B 12 -9.269 8.132 5.497 1.00 0.00 H new ATOM 0 HG SER B 12 -7.364 9.443 5.687 1.00 0.00 H new ATOM 184 N GLY B 13 -10.224 5.095 4.366 1.00 0.00 N ATOM 185 CA GLY B 13 -11.481 4.595 3.838 1.00 0.00 C ATOM 186 C GLY B 13 -11.306 3.809 2.554 1.00 0.00 C ATOM 187 O GLY B 13 -10.255 3.208 2.323 1.00 0.00 O ATOM 0 H GLY B 13 -9.919 4.649 5.231 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -11.957 3.960 4.585 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.153 5.434 3.657 1.00 0.00 H new ATOM 191 N VAL B 14 -12.340 3.812 1.722 1.00 0.00 N ATOM 192 CA VAL B 14 -12.306 3.130 0.446 1.00 0.00 C ATOM 193 C VAL B 14 -11.375 3.857 -0.527 1.00 0.00 C ATOM 194 O VAL B 14 -11.221 5.080 -0.458 1.00 0.00 O ATOM 195 CB VAL B 14 -13.728 3.031 -0.145 1.00 0.00 C ATOM 196 CG1 VAL B 14 -14.275 4.406 -0.487 1.00 0.00 C ATOM 197 CG2 VAL B 14 -13.749 2.124 -1.357 1.00 0.00 C ATOM 0 H VAL B 14 -13.221 4.288 1.917 1.00 0.00 H new ATOM 0 HA VAL B 14 -11.921 2.122 0.603 1.00 0.00 H new ATOM 0 HB VAL B 14 -14.375 2.593 0.615 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -15.278 4.306 -0.901 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -14.314 5.017 0.415 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -13.626 4.884 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -14.763 2.071 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -13.080 2.521 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -13.420 1.125 -1.070 1.00 0.00 H new ATOM 207 N CYS B 15 -10.743 3.110 -1.415 1.00 0.00 N ATOM 208 CA CYS B 15 -9.809 3.688 -2.367 1.00 0.00 C ATOM 209 C CYS B 15 -10.366 3.638 -3.784 1.00 0.00 C ATOM 210 O CYS B 15 -11.098 2.716 -4.140 1.00 0.00 O ATOM 211 CB CYS B 15 -8.474 2.952 -2.293 1.00 0.00 C ATOM 212 SG CYS B 15 -8.624 1.145 -2.398 1.00 0.00 S ATOM 0 H CYS B 15 -10.859 2.100 -1.497 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.656 4.735 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -7.832 3.301 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.978 3.212 -1.358 1.00 0.00 H new ATOM 217 N GLY B 16 -10.024 4.642 -4.583 1.00 0.00 N ATOM 218 CA GLY B 16 -10.502 4.704 -5.950 1.00 0.00 C ATOM 219 C GLY B 16 -9.421 4.376 -6.951 1.00 0.00 C ATOM 220 O GLY B 16 -9.681 4.248 -8.149 1.00 0.00 O ATOM 0 H GLY B 16 -9.421 5.417 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.332 4.008 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.890 5.702 -6.152 1.00 0.00 H new ATOM 224 N ASN B 17 -8.206 4.239 -6.457 1.00 0.00 N ATOM 225 CA ASN B 17 -7.047 4.052 -7.309 1.00 0.00 C ATOM 226 C ASN B 17 -6.110 3.015 -6.711 1.00 0.00 C ATOM 227 O ASN B 17 -5.448 3.278 -5.709 1.00 0.00 O ATOM 228 CB ASN B 17 -6.302 5.374 -7.465 1.00 0.00 C ATOM 229 CG ASN B 17 -6.992 6.358 -8.382 1.00 0.00 C ATOM 230 OD1 ASN B 17 -6.776 6.358 -9.593 1.00 0.00 O ATOM 231 ND2 ASN B 17 -7.817 7.214 -7.810 1.00 0.00 N ATOM 0 H ASN B 17 -7.994 4.254 -5.459 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.387 3.704 -8.285 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -6.181 5.830 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -5.302 5.174 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -8.303 7.909 -8.376 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -7.968 7.180 -6.802 1.00 0.00 H new ATOM 238 N ASN B 18 -6.048 1.843 -7.328 1.00 0.00 N ATOM 239 CA ASN B 18 -5.202 0.767 -6.820 1.00 0.00 C ATOM 240 C ASN B 18 -3.728 1.058 -7.088 1.00 0.00 C ATOM 241 O ASN B 18 -2.858 0.666 -6.311 1.00 0.00 O ATOM 242 CB ASN B 18 -5.597 -0.589 -7.425 1.00 0.00 C ATOM 243 CG ASN B 18 -5.402 -0.682 -8.930 1.00 0.00 C ATOM 244 OD1 ASN B 18 -5.529 0.304 -9.656 1.00 0.00 O ATOM 245 ND2 ASN B 18 -5.084 -1.875 -9.407 1.00 0.00 N ATOM 0 H ASN B 18 -6.568 1.612 -8.174 1.00 0.00 H new ATOM 0 HA ASN B 18 -5.354 0.714 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -5.011 -1.373 -6.945 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -6.644 -0.786 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -4.935 -2.001 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -4.988 -2.669 -8.773 1.00 0.00 H new ATOM 252 N GLY B 19 -3.459 1.752 -8.182 1.00 0.00 N ATOM 253 CA GLY B 19 -2.098 2.120 -8.514 1.00 0.00 C ATOM 254 C GLY B 19 -1.613 3.306 -7.715 1.00 0.00 C ATOM 255 O GLY B 19 -0.456 3.346 -7.300 1.00 0.00 O ATOM 0 H GLY B 19 -4.162 2.069 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.440 1.270 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -2.036 2.351 -9.577 1.00 0.00 H new ATOM 259 N ALA B 20 -2.496 4.274 -7.502 1.00 0.00 N ATOM 260 CA ALA B 20 -2.187 5.402 -6.630 1.00 0.00 C ATOM 261 C ALA B 20 -1.935 4.885 -5.221 1.00 0.00 C ATOM 262 O ALA B 20 -1.039 5.359 -4.522 1.00 0.00 O ATOM 263 CB ALA B 20 -3.313 6.430 -6.641 1.00 0.00 C ATOM 0 H ALA B 20 -3.427 4.302 -7.918 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.291 5.903 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.055 7.259 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.455 6.803 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.235 5.964 -6.293 1.00 0.00 H new ATOM 269 N CYS B 21 -2.729 3.890 -4.825 1.00 0.00 N ATOM 270 CA CYS B 21 -2.495 3.163 -3.587 1.00 0.00 C ATOM 271 C CYS B 21 -1.123 2.516 -3.599 1.00 0.00 C ATOM 272 O CYS B 21 -0.356 2.663 -2.650 1.00 0.00 O ATOM 273 CB CYS B 21 -3.552 2.083 -3.382 1.00 0.00 C ATOM 274 SG CYS B 21 -4.972 2.606 -2.382 1.00 0.00 S ATOM 0 H CYS B 21 -3.543 3.571 -5.350 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.552 3.880 -2.768 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -3.911 1.753 -4.357 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.085 1.221 -2.906 1.00 0.00 H new ATOM 279 N ARG B 22 -0.815 1.809 -4.688 1.00 0.00 N ATOM 280 CA ARG B 22 0.474 1.147 -4.825 1.00 0.00 C ATOM 281 C ARG B 22 1.586 2.154 -4.619 1.00 0.00 C ATOM 282 O ARG B 22 2.424 1.999 -3.737 1.00 0.00 O ATOM 283 CB ARG B 22 0.596 0.514 -6.213 1.00 0.00 C ATOM 284 CG ARG B 22 1.941 -0.140 -6.482 1.00 0.00 C ATOM 285 CD ARG B 22 2.032 -0.621 -7.920 1.00 0.00 C ATOM 286 NE ARG B 22 1.886 0.479 -8.874 1.00 0.00 N ATOM 287 CZ ARG B 22 1.099 0.439 -9.953 1.00 0.00 C ATOM 288 NH1 ARG B 22 0.362 -0.636 -10.207 1.00 0.00 N ATOM 289 NH2 ARG B 22 1.040 1.482 -10.770 1.00 0.00 N ATOM 0 H ARG B 22 -1.442 1.683 -5.483 1.00 0.00 H new ATOM 0 HA ARG B 22 0.553 0.362 -4.073 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.189 -0.233 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.420 1.281 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.742 0.571 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.083 -0.981 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.991 -1.113 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.257 -1.366 -8.103 1.00 0.00 H new ATOM 0 HE ARG B 22 2.420 1.332 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.395 -1.437 -9.577 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.237 -0.660 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.595 2.315 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.439 1.451 -11.594 1.00 0.00 H new ATOM 303 N ASN B 23 1.535 3.206 -5.419 1.00 0.00 N ATOM 304 CA ASN B 23 2.514 4.282 -5.393 1.00 0.00 C ATOM 305 C ASN B 23 2.672 4.861 -3.993 1.00 0.00 C ATOM 306 O ASN B 23 3.788 5.053 -3.507 1.00 0.00 O ATOM 307 CB ASN B 23 2.052 5.370 -6.363 1.00 0.00 C ATOM 308 CG ASN B 23 2.973 6.569 -6.428 1.00 0.00 C ATOM 309 OD1 ASN B 23 4.186 6.459 -6.240 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.395 7.724 -6.712 1.00 0.00 N ATOM 0 H ASN B 23 0.802 3.339 -6.115 1.00 0.00 H new ATOM 0 HA ASN B 23 3.486 3.889 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.963 4.939 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN B 23 1.057 5.705 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.958 8.572 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.387 7.767 -6.860 1.00 0.00 H new ATOM 317 N GLN B 24 1.549 5.134 -3.350 1.00 0.00 N ATOM 318 CA GLN B 24 1.553 5.680 -1.997 1.00 0.00 C ATOM 319 C GLN B 24 2.241 4.716 -1.037 1.00 0.00 C ATOM 320 O GLN B 24 3.111 5.113 -0.259 1.00 0.00 O ATOM 321 CB GLN B 24 0.129 5.960 -1.520 1.00 0.00 C ATOM 322 CG GLN B 24 0.074 6.910 -0.339 1.00 0.00 C ATOM 323 CD GLN B 24 -1.338 7.242 0.086 1.00 0.00 C ATOM 324 OE1 GLN B 24 -1.946 8.190 -0.415 1.00 0.00 O ATOM 325 NE2 GLN B 24 -1.862 6.482 1.028 1.00 0.00 N ATOM 0 H GLN B 24 0.619 4.987 -3.742 1.00 0.00 H new ATOM 0 HA GLN B 24 2.105 6.620 -2.014 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.448 6.380 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.347 5.019 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.606 6.466 0.502 1.00 0.00 H new ATOM 0 HG3 GLN B 24 0.596 7.831 -0.596 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.324 5.707 1.416 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.805 6.669 1.369 1.00 0.00 H new ATOM 334 N CYS B 25 1.851 3.449 -1.113 1.00 0.00 N ATOM 335 CA CYS B 25 2.477 2.392 -0.322 1.00 0.00 C ATOM 336 C CYS B 25 3.990 2.364 -0.543 1.00 0.00 C ATOM 337 O CYS B 25 4.753 2.184 0.404 1.00 0.00 O ATOM 338 CB CYS B 25 1.878 1.026 -0.677 1.00 0.00 C ATOM 339 SG CYS B 25 0.113 0.831 -0.256 1.00 0.00 S ATOM 0 H CYS B 25 1.098 3.125 -1.720 1.00 0.00 H new ATOM 0 HA CYS B 25 2.282 2.605 0.729 1.00 0.00 H new ATOM 0 HB2 CYS B 25 2.003 0.857 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.447 0.251 -0.164 1.00 0.00 H new ATOM 344 N ILE B 26 4.423 2.549 -1.792 1.00 0.00 N ATOM 345 CA ILE B 26 5.847 2.575 -2.116 1.00 0.00 C ATOM 346 C ILE B 26 6.546 3.681 -1.337 1.00 0.00 C ATOM 347 O ILE B 26 7.468 3.441 -0.556 1.00 0.00 O ATOM 348 CB ILE B 26 6.112 2.860 -3.615 1.00 0.00 C ATOM 349 CG1 ILE B 26 5.182 2.069 -4.537 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.564 2.570 -3.956 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.208 0.579 -4.326 1.00 0.00 C ATOM 0 H ILE B 26 3.807 2.683 -2.594 1.00 0.00 H new ATOM 0 HA ILE B 26 6.228 1.587 -1.857 1.00 0.00 H new ATOM 0 HB ILE B 26 5.903 3.917 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE B 26 4.162 2.425 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.452 2.281 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.737 2.774 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.213 3.204 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.784 1.523 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.519 0.101 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.217 0.205 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.907 0.351 -3.304 1.00 0.00 H new ATOM 363 N ARG B 27 6.069 4.893 -1.558 1.00 0.00 N ATOM 364 CA ARG B 27 6.726 6.098 -1.064 1.00 0.00 C ATOM 365 C ARG B 27 6.599 6.247 0.445 1.00 0.00 C ATOM 366 O ARG B 27 7.591 6.439 1.149 1.00 0.00 O ATOM 367 CB ARG B 27 6.122 7.332 -1.736 1.00 0.00 C ATOM 368 CG ARG B 27 6.034 7.219 -3.247 1.00 0.00 C ATOM 369 CD ARG B 27 5.411 8.460 -3.867 1.00 0.00 C ATOM 370 NE ARG B 27 6.222 9.656 -3.643 1.00 0.00 N ATOM 371 CZ ARG B 27 5.805 10.897 -3.888 1.00 0.00 C ATOM 372 NH1 ARG B 27 4.567 11.117 -4.313 1.00 0.00 N ATOM 373 NH2 ARG B 27 6.623 11.921 -3.689 1.00 0.00 N ATOM 0 H ARG B 27 5.215 5.074 -2.085 1.00 0.00 H new ATOM 0 HA ARG B 27 7.785 6.008 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.123 7.502 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG B 27 6.722 8.205 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG B 27 7.031 7.067 -3.660 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.442 6.343 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG B 27 5.284 8.304 -4.938 1.00 0.00 H new ATOM 0 HD3 ARG B 27 4.417 8.614 -3.448 1.00 0.00 H new ATOM 0 HE ARG B 27 7.166 9.532 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG B 27 3.929 10.333 -4.454 1.00 0.00 H new ATOM 0 HH12 ARG B 27 4.253 12.070 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG B 27 7.571 11.758 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG B 27 6.305 12.872 -3.876 1.00 0.00 H new ATOM 387 N LEU B 28 5.374 6.157 0.938 1.00 0.00 N ATOM 388 CA LEU B 28 5.088 6.506 2.326 1.00 0.00 C ATOM 389 C LEU B 28 5.178 5.308 3.264 1.00 0.00 C ATOM 390 O LEU B 28 5.451 5.466 4.454 1.00 0.00 O ATOM 391 CB LEU B 28 3.699 7.138 2.435 1.00 0.00 C ATOM 392 CG LEU B 28 3.486 8.402 1.598 1.00 0.00 C ATOM 393 CD1 LEU B 28 2.063 8.910 1.762 1.00 0.00 C ATOM 394 CD2 LEU B 28 4.483 9.482 1.991 1.00 0.00 C ATOM 0 H LEU B 28 4.563 5.847 0.403 1.00 0.00 H new ATOM 0 HA LEU B 28 5.851 7.221 2.635 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.957 6.397 2.139 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.509 7.379 3.481 1.00 0.00 H new ATOM 0 HG LEU B 28 3.649 8.151 0.550 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.926 9.809 1.161 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.363 8.143 1.432 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.878 9.143 2.811 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.314 10.371 1.384 1.00 0.00 H new ATOM 0 HD22 LEU B 28 4.353 9.731 3.044 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.497 9.118 1.827 1.00 0.00 H new ATOM 406 N GLU B 29 4.948 4.112 2.751 1.00 0.00 N ATOM 407 CA GLU B 29 4.911 2.941 3.614 1.00 0.00 C ATOM 408 C GLU B 29 6.034 1.968 3.300 1.00 0.00 C ATOM 409 O GLU B 29 6.112 0.891 3.883 1.00 0.00 O ATOM 410 CB GLU B 29 3.546 2.259 3.525 1.00 0.00 C ATOM 411 CG GLU B 29 2.416 3.190 3.917 1.00 0.00 C ATOM 412 CD GLU B 29 1.156 2.466 4.338 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.233 1.622 5.258 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.075 2.777 3.797 1.00 0.00 O ATOM 0 H GLU B 29 4.787 3.926 1.761 1.00 0.00 H new ATOM 0 HA GLU B 29 5.064 3.278 4.639 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.385 1.903 2.507 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.536 1.384 4.175 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.749 3.829 4.735 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.186 3.844 3.076 1.00 0.00 H new ATOM 421 N LYS B 30 6.907 2.373 2.389 1.00 0.00 N ATOM 422 CA LYS B 30 8.096 1.592 2.030 1.00 0.00 C ATOM 423 C LYS B 30 7.721 0.204 1.506 1.00 0.00 C ATOM 424 O LYS B 30 8.484 -0.754 1.650 1.00 0.00 O ATOM 425 CB LYS B 30 9.032 1.452 3.237 1.00 0.00 C ATOM 426 CG LYS B 30 9.525 2.776 3.796 1.00 0.00 C ATOM 427 CD LYS B 30 10.383 2.566 5.034 1.00 0.00 C ATOM 428 CE LYS B 30 10.898 3.882 5.593 1.00 0.00 C ATOM 429 NZ LYS B 30 9.793 4.798 5.975 1.00 0.00 N ATOM 0 H LYS B 30 6.817 3.250 1.875 1.00 0.00 H new ATOM 0 HA LYS B 30 8.610 2.130 1.234 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.512 0.908 4.025 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.893 0.849 2.948 1.00 0.00 H new ATOM 0 HG2 LYS B 30 10.102 3.302 3.036 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.673 3.409 4.044 1.00 0.00 H new ATOM 0 HD2 LYS B 30 9.800 2.050 5.797 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.226 1.921 4.787 1.00 0.00 H new ATOM 0 HE2 LYS B 30 11.523 3.685 6.464 1.00 0.00 H new ATOM 0 HE3 LYS B 30 11.531 4.368 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 10.175 5.589 6.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 9.336 5.168 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 9.093 4.280 6.543 1.00 0.00 H new ATOM 443 N ALA B 31 6.551 0.101 0.899 1.00 0.00 N ATOM 444 CA ALA B 31 6.079 -1.165 0.365 1.00 0.00 C ATOM 445 C ALA B 31 6.653 -1.404 -1.024 1.00 0.00 C ATOM 446 O ALA B 31 7.069 -0.468 -1.708 1.00 0.00 O ATOM 447 CB ALA B 31 4.560 -1.189 0.322 1.00 0.00 C ATOM 0 H ALA B 31 5.909 0.882 0.763 1.00 0.00 H new ATOM 0 HA ALA B 31 6.420 -1.965 1.022 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.222 -2.144 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.165 -1.060 1.330 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.201 -0.380 -0.314 1.00 0.00 H new ATOM 453 N ARG B 32 6.691 -2.667 -1.422 1.00 0.00 N ATOM 454 CA ARG B 32 7.221 -3.051 -2.718 1.00 0.00 C ATOM 455 C ARG B 32 6.125 -3.053 -3.771 1.00 0.00 C ATOM 456 O ARG B 32 6.380 -2.874 -4.959 1.00 0.00 O ATOM 457 CB ARG B 32 7.833 -4.440 -2.617 1.00 0.00 C ATOM 458 CG ARG B 32 8.890 -4.556 -1.535 1.00 0.00 C ATOM 459 CD ARG B 32 10.020 -3.560 -1.733 1.00 0.00 C ATOM 460 NE ARG B 32 10.686 -3.718 -3.023 1.00 0.00 N ATOM 461 CZ ARG B 32 11.543 -2.831 -3.526 1.00 0.00 C ATOM 462 NH1 ARG B 32 11.842 -1.734 -2.840 1.00 0.00 N ATOM 463 NH2 ARG B 32 12.102 -3.044 -4.710 1.00 0.00 N ATOM 0 H ARG B 32 6.357 -3.449 -0.858 1.00 0.00 H new ATOM 0 HA ARG B 32 7.981 -2.328 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.042 -5.164 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.276 -4.704 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.430 -4.393 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.295 -5.568 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.625 -2.547 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG B 32 10.751 -3.681 -0.933 1.00 0.00 H new ATOM 0 HE ARG B 32 10.483 -4.555 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG B 32 11.415 -1.571 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.498 -1.055 -3.225 1.00 0.00 H new ATOM 0 HH21 ARG B 32 11.876 -3.888 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG B 32 12.758 -2.364 -5.094 1.00 0.00 H new ATOM 477 N HIS B 33 4.903 -3.266 -3.316 1.00 0.00 N ATOM 478 CA HIS B 33 3.747 -3.314 -4.197 1.00 0.00 C ATOM 479 C HIS B 33 2.501 -2.915 -3.409 1.00 0.00 C ATOM 480 O HIS B 33 2.556 -2.798 -2.187 1.00 0.00 O ATOM 481 CB HIS B 33 3.609 -4.729 -4.794 1.00 0.00 C ATOM 482 CG HIS B 33 2.507 -4.881 -5.802 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.575 -4.365 -7.078 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.297 -5.487 -5.709 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.456 -4.640 -7.722 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.667 -5.320 -6.914 1.00 0.00 N ATOM 0 H HIS B 33 4.683 -3.410 -2.330 1.00 0.00 H new ATOM 0 HA HIS B 33 3.871 -2.613 -5.023 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.553 -5.004 -5.264 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.440 -5.436 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS B 33 0.904 -6.004 -4.846 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.226 -4.356 -8.738 1.00 0.00 H new ATOM 0 HE2 HIS B 33 -0.263 -5.666 -7.148 1.00 0.00 H new ATOM 495 N GLY B 34 1.397 -2.678 -4.102 1.00 0.00 N ATOM 496 CA GLY B 34 0.151 -2.358 -3.436 1.00 0.00 C ATOM 497 C GLY B 34 -1.007 -2.367 -4.406 1.00 0.00 C ATOM 498 O GLY B 34 -0.794 -2.290 -5.617 1.00 0.00 O ATOM 0 H GLY B 34 1.342 -2.702 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -0.034 -3.078 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.228 -1.377 -2.967 1.00 0.00 H new ATOM 502 N SER B 35 -2.221 -2.478 -3.885 1.00 0.00 N ATOM 503 CA SER B 35 -3.416 -2.494 -4.712 1.00 0.00 C ATOM 504 C SER B 35 -4.658 -2.534 -3.826 1.00 0.00 C ATOM 505 O SER B 35 -4.588 -2.899 -2.652 1.00 0.00 O ATOM 506 CB SER B 35 -3.401 -3.704 -5.655 1.00 0.00 C ATOM 507 OG SER B 35 -4.400 -3.590 -6.656 1.00 0.00 O ATOM 0 H SER B 35 -2.403 -2.559 -2.885 1.00 0.00 H new ATOM 0 HA SER B 35 -3.437 -1.587 -5.316 1.00 0.00 H new ATOM 0 HB2 SER B 35 -2.421 -3.790 -6.124 1.00 0.00 H new ATOM 0 HB3 SER B 35 -3.561 -4.617 -5.081 1.00 0.00 H new ATOM 0 HG SER B 35 -4.366 -4.374 -7.243 1.00 0.00 H new ATOM 513 N CYS B 36 -5.788 -2.149 -4.391 1.00 0.00 N ATOM 514 CA CYS B 36 -7.035 -2.125 -3.671 1.00 0.00 C ATOM 515 C CYS B 36 -7.707 -3.490 -3.702 1.00 0.00 C ATOM 516 O CYS B 36 -8.479 -3.796 -4.615 1.00 0.00 O ATOM 517 CB CYS B 36 -7.947 -1.078 -4.284 1.00 0.00 C ATOM 518 SG CYS B 36 -7.440 0.636 -3.961 1.00 0.00 S ATOM 0 H CYS B 36 -5.860 -1.845 -5.362 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.836 -1.873 -2.629 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -7.988 -1.235 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -8.957 -1.224 -3.901 1.00 0.00 H new ATOM 523 N ASN B 37 -7.412 -4.303 -2.698 1.00 0.00 N ATOM 524 CA ASN B 37 -7.977 -5.644 -2.605 1.00 0.00 C ATOM 525 C ASN B 37 -9.474 -5.562 -2.306 1.00 0.00 C ATOM 526 O ASN B 37 -9.977 -4.506 -1.913 1.00 0.00 O ATOM 527 CB ASN B 37 -7.255 -6.459 -1.518 1.00 0.00 C ATOM 528 CG ASN B 37 -7.850 -6.305 -0.130 1.00 0.00 C ATOM 529 OD1 ASN B 37 -7.943 -7.274 0.621 1.00 0.00 O ATOM 530 ND2 ASN B 37 -8.205 -5.086 0.241 1.00 0.00 N ATOM 0 H ASN B 37 -6.783 -4.058 -1.934 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.837 -6.150 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -7.275 -7.513 -1.795 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.208 -6.157 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.571 -4.925 1.179 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -8.113 -4.307 -0.411 1.00 0.00 H new ATOM 537 N TYR B 38 -10.185 -6.659 -2.488 1.00 0.00 N ATOM 538 CA TYR B 38 -11.610 -6.669 -2.221 1.00 0.00 C ATOM 539 C TYR B 38 -11.909 -7.208 -0.828 1.00 0.00 C ATOM 540 O TYR B 38 -12.009 -8.419 -0.625 1.00 0.00 O ATOM 541 CB TYR B 38 -12.361 -7.488 -3.270 1.00 0.00 C ATOM 542 CG TYR B 38 -13.862 -7.401 -3.111 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.543 -6.244 -3.456 1.00 0.00 C ATOM 544 CD2 TYR B 38 -14.592 -8.464 -2.600 1.00 0.00 C ATOM 545 CE1 TYR B 38 -15.911 -6.148 -3.300 1.00 0.00 C ATOM 546 CE2 TYR B 38 -15.960 -8.376 -2.438 1.00 0.00 C ATOM 547 CZ TYR B 38 -16.615 -7.217 -2.791 1.00 0.00 C ATOM 548 OH TYR B 38 -17.981 -7.126 -2.626 1.00 0.00 O ATOM 0 H TYR B 38 -9.804 -7.546 -2.816 1.00 0.00 H new ATOM 0 HA TYR B 38 -11.955 -5.636 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -12.084 -7.139 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -12.052 -8.531 -3.201 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -13.994 -5.403 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -14.082 -9.375 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.427 -5.240 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -16.514 -9.212 -2.036 1.00 0.00 H new ATOM 0 HH TYR B 38 -18.241 -7.579 -1.797 1.00 0.00 H new ATOM 558 N VAL B 39 -12.009 -6.304 0.131 1.00 0.00 N ATOM 559 CA VAL B 39 -12.546 -6.639 1.438 1.00 0.00 C ATOM 560 C VAL B 39 -14.021 -6.275 1.463 1.00 0.00 C ATOM 561 O VAL B 39 -14.372 -5.095 1.500 1.00 0.00 O ATOM 562 CB VAL B 39 -11.809 -5.907 2.580 1.00 0.00 C ATOM 563 CG1 VAL B 39 -12.462 -6.203 3.923 1.00 0.00 C ATOM 564 CG2 VAL B 39 -10.348 -6.314 2.607 1.00 0.00 C ATOM 0 H VAL B 39 -11.724 -5.330 0.028 1.00 0.00 H new ATOM 0 HA VAL B 39 -12.406 -7.708 1.601 1.00 0.00 H new ATOM 0 HB VAL B 39 -11.874 -4.835 2.397 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -11.926 -5.676 4.712 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.500 -5.869 3.905 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.429 -7.275 4.115 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -9.839 -5.791 3.417 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.273 -7.390 2.766 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -9.880 -6.054 1.657 1.00 0.00 H new ATOM 574 N PHE B 40 -14.868 -7.299 1.426 1.00 0.00 N ATOM 575 CA PHE B 40 -16.313 -7.134 1.294 1.00 0.00 C ATOM 576 C PHE B 40 -16.841 -6.035 2.220 1.00 0.00 C ATOM 577 O PHE B 40 -16.465 -5.965 3.391 1.00 0.00 O ATOM 578 CB PHE B 40 -17.011 -8.464 1.599 1.00 0.00 C ATOM 579 CG PHE B 40 -18.498 -8.455 1.375 1.00 0.00 C ATOM 580 CD1 PHE B 40 -19.021 -8.654 0.108 1.00 0.00 C ATOM 581 CD2 PHE B 40 -19.372 -8.252 2.433 1.00 0.00 C ATOM 582 CE1 PHE B 40 -20.386 -8.651 -0.101 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.738 -8.249 2.229 1.00 0.00 C ATOM 584 CZ PHE B 40 -21.247 -8.448 0.960 1.00 0.00 C ATOM 0 H PHE B 40 -14.570 -8.273 1.487 1.00 0.00 H new ATOM 0 HA PHE B 40 -16.530 -6.833 0.269 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -16.568 -9.243 0.978 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -16.815 -8.733 2.637 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -18.354 -8.813 -0.726 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -18.980 -8.095 3.427 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -20.780 -8.807 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -21.408 -8.091 3.061 1.00 0.00 H new ATOM 0 HZ PHE B 40 -22.315 -8.445 0.798 1.00 0.00 H new ATOM 594 N PRO B 41 -17.723 -5.163 1.706 1.00 0.00 N ATOM 595 CA PRO B 41 -18.215 -5.220 0.335 1.00 0.00 C ATOM 596 C PRO B 41 -17.518 -4.232 -0.606 1.00 0.00 C ATOM 597 O PRO B 41 -18.057 -3.887 -1.658 1.00 0.00 O ATOM 598 CB PRO B 41 -19.670 -4.809 0.531 1.00 0.00 C ATOM 599 CG PRO B 41 -19.643 -3.824 1.662 1.00 0.00 C ATOM 600 CD PRO B 41 -18.362 -4.061 2.438 1.00 0.00 C ATOM 0 HA PRO B 41 -18.050 -6.192 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -20.079 -4.360 -0.374 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -20.295 -5.669 0.771 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -19.679 -2.803 1.283 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -20.512 -3.955 2.306 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -17.732 -3.172 2.456 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -18.564 -4.330 3.475 1.00 0.00 H new ATOM 608 N ALA B 42 -16.323 -3.786 -0.244 1.00 0.00 N ATOM 609 CA ALA B 42 -15.663 -2.723 -0.992 1.00 0.00 C ATOM 610 C ALA B 42 -14.204 -3.053 -1.295 1.00 0.00 C ATOM 611 O ALA B 42 -13.698 -4.112 -0.928 1.00 0.00 O ATOM 612 CB ALA B 42 -15.751 -1.420 -0.210 1.00 0.00 C ATOM 0 H ALA B 42 -15.795 -4.139 0.554 1.00 0.00 H new ATOM 0 HA ALA B 42 -16.177 -2.620 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -15.257 -0.626 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.798 -1.158 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -15.261 -1.542 0.756 1.00 0.00 H new ATOM 618 N HIS B 43 -13.540 -2.145 -1.995 1.00 0.00 N ATOM 619 CA HIS B 43 -12.121 -2.279 -2.276 1.00 0.00 C ATOM 620 C HIS B 43 -11.316 -1.414 -1.321 1.00 0.00 C ATOM 621 O HIS B 43 -11.468 -0.193 -1.292 1.00 0.00 O ATOM 622 CB HIS B 43 -11.807 -1.904 -3.726 1.00 0.00 C ATOM 623 CG HIS B 43 -12.167 -2.971 -4.709 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.258 -3.890 -5.188 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.349 -3.274 -5.296 1.00 0.00 C ATOM 626 CE1 HIS B 43 -11.864 -4.711 -6.023 1.00 0.00 C ATOM 627 NE2 HIS B 43 -13.133 -4.360 -6.107 1.00 0.00 N ATOM 0 H HIS B 43 -13.966 -1.302 -2.381 1.00 0.00 H new ATOM 0 HA HIS B 43 -11.843 -3.323 -2.131 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.344 -0.990 -3.981 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -10.743 -1.684 -3.814 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.270 -3.929 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.287 -2.758 -5.153 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.400 -5.532 -6.549 1.00 0.00 H new ATOM 636 N LYS B 44 -10.465 -2.057 -0.541 1.00 0.00 N ATOM 637 CA LYS B 44 -9.686 -1.369 0.475 1.00 0.00 C ATOM 638 C LYS B 44 -8.234 -1.280 0.063 1.00 0.00 C ATOM 639 O LYS B 44 -7.699 -2.191 -0.573 1.00 0.00 O ATOM 640 CB LYS B 44 -9.816 -2.088 1.814 1.00 0.00 C ATOM 641 CG LYS B 44 -11.204 -1.965 2.412 1.00 0.00 C ATOM 642 CD LYS B 44 -11.425 -0.607 3.052 1.00 0.00 C ATOM 643 CE LYS B 44 -10.715 -0.491 4.391 1.00 0.00 C ATOM 644 NZ LYS B 44 -11.258 -1.451 5.391 1.00 0.00 N ATOM 0 H LYS B 44 -10.295 -3.061 -0.592 1.00 0.00 H new ATOM 0 HA LYS B 44 -10.074 -0.356 0.582 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.575 -3.142 1.680 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -9.086 -1.680 2.513 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.950 -2.126 1.634 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -11.348 -2.746 3.158 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -11.066 0.174 2.381 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -12.493 -0.441 3.191 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -9.649 -0.673 4.254 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -10.818 0.526 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -11.025 -1.123 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -12.291 -1.512 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -10.838 -2.390 5.235 1.00 0.00 H new ATOM 658 N CYS B 45 -7.610 -0.179 0.432 1.00 0.00 N ATOM 659 CA CYS B 45 -6.241 0.097 0.034 1.00 0.00 C ATOM 660 C CYS B 45 -5.272 -0.804 0.792 1.00 0.00 C ATOM 661 O CYS B 45 -5.152 -0.718 2.018 1.00 0.00 O ATOM 662 CB CYS B 45 -5.914 1.564 0.293 1.00 0.00 C ATOM 663 SG CYS B 45 -4.381 2.131 -0.500 1.00 0.00 S ATOM 0 H CYS B 45 -8.033 0.546 1.012 1.00 0.00 H new ATOM 0 HA CYS B 45 -6.136 -0.108 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -6.742 2.178 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.835 1.724 1.368 1.00 0.00 H new ATOM 668 N ILE B 46 -4.590 -1.672 0.061 1.00 0.00 N ATOM 669 CA ILE B 46 -3.726 -2.671 0.665 1.00 0.00 C ATOM 670 C ILE B 46 -2.304 -2.588 0.107 1.00 0.00 C ATOM 671 O ILE B 46 -2.098 -2.593 -1.107 1.00 0.00 O ATOM 672 CB ILE B 46 -4.296 -4.091 0.432 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.643 -4.256 1.116 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.348 -5.164 0.915 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.640 -3.965 2.594 1.00 0.00 C ATOM 0 H ILE B 46 -4.620 -1.703 -0.958 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.687 -2.469 1.735 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.424 -4.207 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.364 -3.597 0.632 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -5.991 -5.278 0.962 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.786 -6.145 0.733 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.403 -5.083 0.378 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.170 -5.039 1.983 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.643 -4.109 2.995 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.948 -4.641 3.096 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.327 -2.934 2.761 1.00 0.00 H new ATOM 687 N CYS B 47 -1.333 -2.509 1.005 1.00 0.00 N ATOM 688 CA CYS B 47 0.073 -2.471 0.630 1.00 0.00 C ATOM 689 C CYS B 47 0.670 -3.873 0.728 1.00 0.00 C ATOM 690 O CYS B 47 0.201 -4.695 1.506 1.00 0.00 O ATOM 691 CB CYS B 47 0.838 -1.520 1.553 1.00 0.00 C ATOM 692 SG CYS B 47 0.131 0.159 1.660 1.00 0.00 S ATOM 0 H CYS B 47 -1.497 -2.470 2.011 1.00 0.00 H new ATOM 0 HA CYS B 47 0.156 -2.113 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS B 47 0.870 -1.952 2.553 1.00 0.00 H new ATOM 0 HB3 CYS B 47 1.868 -1.446 1.205 1.00 0.00 H new ATOM 697 N TYR B 48 1.685 -4.152 -0.072 1.00 0.00 N ATOM 698 CA TYR B 48 2.344 -5.454 -0.048 1.00 0.00 C ATOM 699 C TYR B 48 3.758 -5.331 0.503 1.00 0.00 C ATOM 700 O TYR B 48 4.565 -4.539 0.004 1.00 0.00 O ATOM 701 CB TYR B 48 2.400 -6.057 -1.451 1.00 0.00 C ATOM 702 CG TYR B 48 1.066 -6.524 -1.997 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.053 -5.704 -1.970 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.937 -7.786 -2.559 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.262 -6.125 -2.481 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.267 -8.215 -3.078 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.365 -7.381 -3.040 1.00 0.00 C ATOM 708 OH TYR B 48 -2.567 -7.802 -3.563 1.00 0.00 O ATOM 0 H TYR B 48 2.074 -3.495 -0.749 1.00 0.00 H new ATOM 0 HA TYR B 48 1.762 -6.109 0.601 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.816 -5.316 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR B 48 3.088 -6.902 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR B 48 0.025 -4.716 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.793 -8.443 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.124 -5.475 -2.444 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.350 -9.200 -3.512 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.469 -8.710 -3.919 1.00 0.00 H new ATOM 718 N PHE B 49 4.051 -6.116 1.526 1.00 0.00 N ATOM 719 CA PHE B 49 5.365 -6.108 2.149 1.00 0.00 C ATOM 720 C PHE B 49 6.008 -7.484 2.038 1.00 0.00 C ATOM 721 O PHE B 49 5.320 -8.502 2.128 1.00 0.00 O ATOM 722 CB PHE B 49 5.248 -5.693 3.615 1.00 0.00 C ATOM 723 CG PHE B 49 4.761 -4.284 3.793 1.00 0.00 C ATOM 724 CD1 PHE B 49 3.407 -4.010 3.887 1.00 0.00 C ATOM 725 CD2 PHE B 49 5.658 -3.234 3.855 1.00 0.00 C ATOM 726 CE1 PHE B 49 2.959 -2.716 4.042 1.00 0.00 C ATOM 727 CE2 PHE B 49 5.216 -1.938 4.012 1.00 0.00 C ATOM 728 CZ PHE B 49 3.864 -1.677 4.104 1.00 0.00 C ATOM 0 H PHE B 49 3.392 -6.772 1.946 1.00 0.00 H new ATOM 0 HA PHE B 49 5.996 -5.386 1.631 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.566 -6.373 4.125 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.221 -5.798 4.094 1.00 0.00 H new ATOM 0 HD1 PHE B 49 2.694 -4.820 3.838 1.00 0.00 H new ATOM 0 HD2 PHE B 49 6.717 -3.431 3.780 1.00 0.00 H new ATOM 0 HE1 PHE B 49 1.900 -2.516 4.115 1.00 0.00 H new ATOM 0 HE2 PHE B 49 5.927 -1.127 4.063 1.00 0.00 H new ATOM 0 HZ PHE B 49 3.515 -0.662 4.224 1.00 0.00 H new ATOM 738 N PRO B 50 7.333 -7.528 1.809 1.00 0.00 N ATOM 739 CA PRO B 50 8.083 -8.784 1.688 1.00 0.00 C ATOM 740 C PRO B 50 7.861 -9.706 2.872 1.00 0.00 C ATOM 741 O PRO B 50 8.177 -9.365 4.016 1.00 0.00 O ATOM 742 CB PRO B 50 9.537 -8.328 1.631 1.00 0.00 C ATOM 743 CG PRO B 50 9.464 -6.956 1.068 1.00 0.00 C ATOM 744 CD PRO B 50 8.211 -6.356 1.637 1.00 0.00 C ATOM 0 HA PRO B 50 7.771 -9.361 0.817 1.00 0.00 H new ATOM 0 HB2 PRO B 50 9.994 -8.329 2.620 1.00 0.00 H new ATOM 0 HB3 PRO B 50 10.137 -8.986 1.002 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.341 -6.371 1.345 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.428 -6.980 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.399 -5.850 2.584 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.774 -5.619 0.963 1.00 0.00 H new ATOM 752 N CYS B 51 7.309 -10.866 2.586 1.00 0.00 N ATOM 753 CA CYS B 51 7.002 -11.838 3.614 1.00 0.00 C ATOM 754 C CYS B 51 8.145 -12.839 3.732 1.00 0.00 C ATOM 755 O CYS B 51 8.185 -13.799 2.938 1.00 0.00 O ATOM 756 CB CYS B 51 5.693 -12.551 3.276 1.00 0.00 C ATOM 757 SG CYS B 51 4.776 -13.169 4.723 1.00 0.00 S ATOM 758 OXT CYS B 51 9.017 -12.653 4.607 1.00 0.00 O ATOM 0 H CYS B 51 7.062 -11.161 1.641 1.00 0.00 H new ATOM 0 HA CYS B 51 6.883 -11.331 4.572 1.00 0.00 H new ATOM 0 HB2 CYS B 51 5.053 -11.865 2.721 1.00 0.00 H new ATOM 0 HB3 CYS B 51 5.911 -13.389 2.614 1.00 0.00 H new TER 763 CYS B 51