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 8 SER OG : rot 57:sc= 1.36 USER MOD Set 1.2: B 10 THR OG1 : rot -73:sc= 1.26 USER MOD Set 1.3: B 24 GLN : amide:sc= -1.5! K(o=1.1!,f=2.4) USER MOD Single : B 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0322) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : B 18 ASN : amide:sc= -0.0576 K(o=-0.058,f=-4.2!) USER MOD Single : B 23 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.58) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 ASN : amide:sc= -3.31! K(o=-3.3!,f=-1.1) USER MOD Single : B 38 TYR OH : rot -125:sc= 0.72 USER MOD Single : B 43 HIS : no HE2:sc= 0.99 K(o=0.99,f=-4.5!) USER MOD Single : B 44 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.14) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA B 1 3.384 -17.756 0.681 1.00 0.00 N HETATM 2 CA PCA B 1 3.877 -18.055 -0.675 1.00 0.00 C HETATM 3 CB PCA B 1 2.812 -18.866 -1.420 1.00 0.00 C HETATM 4 CG PCA B 1 1.795 -19.191 -0.368 1.00 0.00 C HETATM 5 CD PCA B 1 2.280 -18.446 0.860 1.00 0.00 C HETATM 6 OE PCA B 1 1.562 -18.320 1.855 1.00 0.00 O HETATM 7 C PCA B 1 4.211 -16.772 -1.433 1.00 0.00 C HETATM 8 O PCA B 1 5.381 -16.489 -1.698 1.00 0.00 O HETATM 0 H2 PCA B 1 3.164 -18.645 1.174 1.00 0.00 H new HETATM 0 HA PCA B 1 4.796 -18.637 -0.604 1.00 0.00 H new HETATM 0 HB2 PCA B 1 2.372 -18.292 -2.235 1.00 0.00 H new HETATM 0 HB3 PCA B 1 3.234 -19.770 -1.859 1.00 0.00 H new HETATM 0 HG2 PCA B 1 0.798 -18.865 -0.664 1.00 0.00 H new HETATM 0 HG3 PCA B 1 1.739 -20.264 -0.186 1.00 0.00 H new ATOM 13 N ARG B 2 3.190 -15.993 -1.783 1.00 0.00 N ATOM 14 CA ARG B 2 3.407 -14.718 -2.461 1.00 0.00 C ATOM 15 C ARG B 2 3.735 -13.635 -1.438 1.00 0.00 C ATOM 16 O ARG B 2 3.976 -13.936 -0.267 1.00 0.00 O ATOM 17 CB ARG B 2 2.170 -14.307 -3.276 1.00 0.00 C ATOM 18 CG ARG B 2 1.007 -13.807 -2.429 1.00 0.00 C ATOM 19 CD ARG B 2 -0.104 -13.216 -3.282 1.00 0.00 C ATOM 20 NE ARG B 2 -1.146 -12.594 -2.464 1.00 0.00 N ATOM 21 CZ ARG B 2 -2.352 -12.253 -2.923 1.00 0.00 C ATOM 22 NH1 ARG B 2 -2.680 -12.496 -4.186 1.00 0.00 N ATOM 23 NH2 ARG B 2 -3.233 -11.669 -2.120 1.00 0.00 N ATOM 0 H ARG B 2 2.211 -16.220 -1.610 1.00 0.00 H new ATOM 0 HA ARG B 2 4.245 -14.836 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG B 2 2.455 -13.526 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG B 2 1.836 -15.161 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG B 2 0.610 -14.631 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG B 2 1.366 -13.053 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG B 2 0.315 -12.474 -3.962 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -0.545 -14.000 -3.898 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.938 -12.410 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -2.009 -12.945 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.603 -12.234 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -2.989 -11.479 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -4.153 -11.410 -2.475 1.00 0.00 H new ATOM 37 N LEU B 3 3.756 -12.386 -1.884 1.00 0.00 N ATOM 38 CA LEU B 3 3.903 -11.249 -0.979 1.00 0.00 C ATOM 39 C LEU B 3 2.837 -11.283 0.111 1.00 0.00 C ATOM 40 O LEU B 3 1.799 -11.929 -0.036 1.00 0.00 O ATOM 41 CB LEU B 3 3.780 -9.938 -1.746 1.00 0.00 C ATOM 42 CG LEU B 3 4.929 -9.610 -2.701 1.00 0.00 C ATOM 43 CD1 LEU B 3 4.479 -8.597 -3.738 1.00 0.00 C ATOM 44 CD2 LEU B 3 6.123 -9.069 -1.932 1.00 0.00 C ATOM 0 H LEU B 3 3.673 -12.132 -2.868 1.00 0.00 H new ATOM 0 HA LEU B 3 4.890 -11.316 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.853 -9.961 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.690 -9.125 -1.025 1.00 0.00 H new ATOM 0 HG LEU B 3 5.226 -10.528 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.307 -8.373 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU B 3 3.647 -9.007 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.160 -7.682 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.931 -8.841 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.834 -8.162 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU B 3 6.462 -9.816 -1.214 1.00 0.00 H new ATOM 56 N CYS B 4 3.080 -10.572 1.192 1.00 0.00 N ATOM 57 CA CYS B 4 2.160 -10.570 2.308 1.00 0.00 C ATOM 58 C CYS B 4 1.592 -9.175 2.531 1.00 0.00 C ATOM 59 O CYS B 4 2.320 -8.222 2.818 1.00 0.00 O ATOM 60 CB CYS B 4 2.871 -11.113 3.542 1.00 0.00 C ATOM 61 SG CYS B 4 3.417 -12.838 3.323 1.00 0.00 S ATOM 0 H CYS B 4 3.907 -9.989 1.321 1.00 0.00 H new ATOM 0 HA CYS B 4 1.311 -11.220 2.093 1.00 0.00 H new ATOM 0 HB2 CYS B 4 3.734 -10.487 3.766 1.00 0.00 H new ATOM 0 HB3 CYS B 4 2.202 -11.052 4.400 1.00 0.00 H new ATOM 66 N GLU B 5 0.287 -9.064 2.366 1.00 0.00 N ATOM 67 CA GLU B 5 -0.384 -7.779 2.365 1.00 0.00 C ATOM 68 C GLU B 5 -0.499 -7.196 3.770 1.00 0.00 C ATOM 69 O GLU B 5 -0.598 -7.922 4.762 1.00 0.00 O ATOM 70 CB GLU B 5 -1.776 -7.901 1.742 1.00 0.00 C ATOM 71 CG GLU B 5 -1.825 -8.736 0.470 1.00 0.00 C ATOM 72 CD GLU B 5 -2.132 -10.199 0.731 1.00 0.00 C ATOM 73 OE1 GLU B 5 -1.264 -10.915 1.271 1.00 0.00 O ATOM 74 OE2 GLU B 5 -3.250 -10.641 0.394 1.00 0.00 O ATOM 0 H GLU B 5 -0.336 -9.860 2.229 1.00 0.00 H new ATOM 0 HA GLU B 5 0.223 -7.100 1.767 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -2.452 -8.339 2.476 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -2.150 -6.902 1.521 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -2.582 -8.325 -0.198 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -0.868 -8.658 -0.046 1.00 0.00 H new ATOM 81 N LYS B 6 -0.490 -5.875 3.831 1.00 0.00 N ATOM 82 CA LYS B 6 -0.616 -5.138 5.073 1.00 0.00 C ATOM 83 C LYS B 6 -1.518 -3.929 4.831 1.00 0.00 C ATOM 84 O LYS B 6 -1.268 -3.150 3.910 1.00 0.00 O ATOM 85 CB LYS B 6 0.772 -4.685 5.542 1.00 0.00 C ATOM 86 CG LYS B 6 0.869 -4.344 7.023 1.00 0.00 C ATOM 87 CD LYS B 6 0.352 -2.948 7.327 1.00 0.00 C ATOM 88 CE LYS B 6 0.592 -2.572 8.781 1.00 0.00 C ATOM 89 NZ LYS B 6 -0.185 -3.424 9.718 1.00 0.00 N ATOM 0 H LYS B 6 -0.394 -5.279 3.009 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.054 -5.769 5.847 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.490 -5.474 5.318 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.068 -3.810 4.963 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.300 -5.073 7.600 1.00 0.00 H new ATOM 0 HG3 LYS B 6 1.907 -4.423 7.345 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.846 -2.226 6.677 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.715 -2.898 7.108 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.654 -2.662 9.007 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.321 -1.527 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -0.043 -3.088 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.196 -3.372 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.139 -4.409 9.641 1.00 0.00 H new ATOM 103 N PRO B 7 -2.590 -3.772 5.627 1.00 0.00 N ATOM 104 CA PRO B 7 -3.528 -2.654 5.479 1.00 0.00 C ATOM 105 C PRO B 7 -2.827 -1.297 5.499 1.00 0.00 C ATOM 106 O PRO B 7 -2.077 -0.988 6.428 1.00 0.00 O ATOM 107 CB PRO B 7 -4.471 -2.794 6.683 1.00 0.00 C ATOM 108 CG PRO B 7 -3.816 -3.777 7.598 1.00 0.00 C ATOM 109 CD PRO B 7 -2.980 -4.666 6.727 1.00 0.00 C ATOM 0 HA PRO B 7 -4.045 -2.691 4.520 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -4.617 -1.835 7.179 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -5.455 -3.145 6.371 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -3.200 -3.268 8.340 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -4.560 -4.356 8.145 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.112 -5.054 7.260 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -3.544 -5.527 6.368 1.00 0.00 H new ATOM 117 N SER B 8 -3.066 -0.501 4.459 1.00 0.00 N ATOM 118 CA SER B 8 -2.435 0.804 4.323 1.00 0.00 C ATOM 119 C SER B 8 -2.773 1.701 5.505 1.00 0.00 C ATOM 120 O SER B 8 -3.906 1.711 5.994 1.00 0.00 O ATOM 121 CB SER B 8 -2.876 1.476 3.019 1.00 0.00 C ATOM 122 OG SER B 8 -2.341 2.784 2.910 1.00 0.00 O ATOM 0 H SER B 8 -3.697 -0.742 3.695 1.00 0.00 H new ATOM 0 HA SER B 8 -1.356 0.653 4.301 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.551 0.875 2.169 1.00 0.00 H new ATOM 0 HB3 SER B 8 -3.964 1.521 2.980 1.00 0.00 H new ATOM 0 HG SER B 8 -1.364 2.744 2.973 1.00 0.00 H new ATOM 128 N GLY B 9 -1.778 2.440 5.964 1.00 0.00 N ATOM 129 CA GLY B 9 -1.975 3.370 7.048 1.00 0.00 C ATOM 130 C GLY B 9 -1.845 4.794 6.575 1.00 0.00 C ATOM 131 O GLY B 9 -1.733 5.724 7.375 1.00 0.00 O ATOM 0 H GLY B 9 -0.826 2.410 5.598 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -2.962 3.218 7.486 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -1.244 3.177 7.834 1.00 0.00 H new ATOM 135 N THR B 10 -1.861 4.964 5.263 1.00 0.00 N ATOM 136 CA THR B 10 -1.726 6.276 4.662 1.00 0.00 C ATOM 137 C THR B 10 -2.958 6.594 3.833 1.00 0.00 C ATOM 138 O THR B 10 -3.011 7.592 3.113 1.00 0.00 O ATOM 139 CB THR B 10 -0.466 6.353 3.779 1.00 0.00 C ATOM 140 OG1 THR B 10 -0.446 5.263 2.844 1.00 0.00 O ATOM 141 CG2 THR B 10 0.793 6.319 4.631 1.00 0.00 C ATOM 0 H THR B 10 -1.967 4.203 4.592 1.00 0.00 H new ATOM 0 HA THR B 10 -1.628 7.010 5.462 1.00 0.00 H new ATOM 0 HB THR B 10 -0.493 7.295 3.232 1.00 0.00 H new ATOM 0 HG1 THR B 10 -0.240 4.430 3.317 1.00 0.00 H new ATOM 0 HG21 THR B 10 1.670 6.374 3.986 1.00 0.00 H new ATOM 0 HG22 THR B 10 0.792 7.167 5.316 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.821 5.391 5.202 1.00 0.00 H new ATOM 149 N TRP B 11 -3.955 5.736 3.958 1.00 0.00 N ATOM 150 CA TRP B 11 -5.171 5.851 3.180 1.00 0.00 C ATOM 151 C TRP B 11 -6.370 5.906 4.115 1.00 0.00 C ATOM 152 O TRP B 11 -6.234 5.703 5.323 1.00 0.00 O ATOM 153 CB TRP B 11 -5.280 4.650 2.238 1.00 0.00 C ATOM 154 CG TRP B 11 -6.086 4.897 0.998 1.00 0.00 C ATOM 155 CD1 TRP B 11 -7.440 4.806 0.853 1.00 0.00 C ATOM 156 CD2 TRP B 11 -5.569 5.250 -0.290 1.00 0.00 C ATOM 157 NE1 TRP B 11 -7.797 5.109 -0.435 1.00 0.00 N ATOM 158 CE2 TRP B 11 -6.667 5.378 -1.158 1.00 0.00 C ATOM 159 CE3 TRP B 11 -4.285 5.479 -0.791 1.00 0.00 C ATOM 160 CZ2 TRP B 11 -6.522 5.723 -2.496 1.00 0.00 C ATOM 161 CZ3 TRP B 11 -4.141 5.818 -2.121 1.00 0.00 C ATOM 162 CH2 TRP B 11 -5.254 5.939 -2.962 1.00 0.00 C ATOM 0 H TRP B 11 -3.943 4.943 4.600 1.00 0.00 H new ATOM 0 HA TRP B 11 -5.149 6.766 2.588 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -4.276 4.342 1.947 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -5.724 3.817 2.783 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -8.130 4.535 1.639 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -8.751 5.130 -0.796 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -3.421 5.392 -0.149 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -7.380 5.817 -3.145 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -3.153 5.993 -2.520 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -5.109 6.208 -3.998 1.00 0.00 H new ATOM 173 N SER B 12 -7.533 6.170 3.552 1.00 0.00 N ATOM 174 CA SER B 12 -8.770 6.236 4.314 1.00 0.00 C ATOM 175 C SER B 12 -9.960 6.249 3.357 1.00 0.00 C ATOM 176 O SER B 12 -9.812 6.605 2.184 1.00 0.00 O ATOM 177 CB SER B 12 -8.784 7.485 5.203 1.00 0.00 C ATOM 178 OG SER B 12 -9.806 7.405 6.183 1.00 0.00 O ATOM 0 H SER B 12 -7.650 6.345 2.554 1.00 0.00 H new ATOM 0 HA SER B 12 -8.840 5.359 4.958 1.00 0.00 H new ATOM 0 HB2 SER B 12 -7.816 7.598 5.691 1.00 0.00 H new ATOM 0 HB3 SER B 12 -8.936 8.371 4.587 1.00 0.00 H new ATOM 0 HG SER B 12 -9.792 8.213 6.737 1.00 0.00 H new ATOM 184 N GLY B 13 -11.129 5.860 3.854 1.00 0.00 N ATOM 185 CA GLY B 13 -12.317 5.822 3.021 1.00 0.00 C ATOM 186 C GLY B 13 -12.294 4.669 2.038 1.00 0.00 C ATOM 187 O GLY B 13 -11.509 3.730 2.192 1.00 0.00 O ATOM 0 H GLY B 13 -11.275 5.570 4.821 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -13.200 5.738 3.655 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -12.405 6.761 2.474 1.00 0.00 H new ATOM 191 N VAL B 14 -13.156 4.728 1.033 1.00 0.00 N ATOM 192 CA VAL B 14 -13.193 3.716 0.004 1.00 0.00 C ATOM 193 C VAL B 14 -12.147 4.020 -1.065 1.00 0.00 C ATOM 194 O VAL B 14 -12.083 5.136 -1.581 1.00 0.00 O ATOM 195 CB VAL B 14 -14.589 3.639 -0.638 1.00 0.00 C ATOM 196 CG1 VAL B 14 -14.612 2.608 -1.744 1.00 0.00 C ATOM 197 CG2 VAL B 14 -15.642 3.320 0.414 1.00 0.00 C ATOM 0 H VAL B 14 -13.841 5.474 0.914 1.00 0.00 H new ATOM 0 HA VAL B 14 -12.970 2.753 0.463 1.00 0.00 H new ATOM 0 HB VAL B 14 -14.821 4.611 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -15.608 2.569 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -13.886 2.880 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -14.358 1.630 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -16.624 3.269 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -15.413 2.361 0.879 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -15.645 4.101 1.175 1.00 0.00 H new ATOM 207 N CYS B 15 -11.330 3.028 -1.378 1.00 0.00 N ATOM 208 CA CYS B 15 -10.251 3.193 -2.341 1.00 0.00 C ATOM 209 C CYS B 15 -10.769 3.074 -3.769 1.00 0.00 C ATOM 210 O CYS B 15 -11.535 2.165 -4.094 1.00 0.00 O ATOM 211 CB CYS B 15 -9.155 2.162 -2.068 1.00 0.00 C ATOM 212 SG CYS B 15 -8.068 1.807 -3.486 1.00 0.00 S ATOM 0 H CYS B 15 -11.394 2.093 -0.976 1.00 0.00 H new ATOM 0 HA CYS B 15 -9.830 4.192 -2.229 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -8.542 2.515 -1.238 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -9.623 1.232 -1.745 1.00 0.00 H new ATOM 217 N GLY B 16 -10.353 4.011 -4.610 1.00 0.00 N ATOM 218 CA GLY B 16 -10.799 4.033 -5.989 1.00 0.00 C ATOM 219 C GLY B 16 -9.711 3.653 -6.965 1.00 0.00 C ATOM 220 O GLY B 16 -9.986 3.107 -8.034 1.00 0.00 O ATOM 0 H GLY B 16 -9.710 4.762 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.639 3.348 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -11.165 5.031 -6.231 1.00 0.00 H new ATOM 224 N ASN B 17 -8.475 3.936 -6.596 1.00 0.00 N ATOM 225 CA ASN B 17 -7.366 3.851 -7.531 1.00 0.00 C ATOM 226 C ASN B 17 -6.249 2.979 -6.983 1.00 0.00 C ATOM 227 O ASN B 17 -5.614 3.318 -5.985 1.00 0.00 O ATOM 228 CB ASN B 17 -6.854 5.260 -7.827 1.00 0.00 C ATOM 229 CG ASN B 17 -7.891 6.108 -8.519 1.00 0.00 C ATOM 230 OD1 ASN B 17 -7.950 6.173 -9.747 1.00 0.00 O ATOM 231 ND2 ASN B 17 -8.720 6.761 -7.730 1.00 0.00 N ATOM 0 H ASN B 17 -8.213 4.227 -5.654 1.00 0.00 H new ATOM 0 HA ASN B 17 -7.716 3.388 -8.454 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -6.557 5.740 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -5.963 5.197 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -9.449 7.351 -8.132 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -8.633 6.677 -6.717 1.00 0.00 H new ATOM 238 N ASN B 18 -6.009 1.858 -7.652 1.00 0.00 N ATOM 239 CA ASN B 18 -5.016 0.887 -7.202 1.00 0.00 C ATOM 240 C ASN B 18 -3.597 1.382 -7.423 1.00 0.00 C ATOM 241 O ASN B 18 -2.703 1.068 -6.647 1.00 0.00 O ATOM 242 CB ASN B 18 -5.205 -0.463 -7.904 1.00 0.00 C ATOM 243 CG ASN B 18 -4.993 -0.407 -9.409 1.00 0.00 C ATOM 244 OD1 ASN B 18 -5.289 0.594 -10.063 1.00 0.00 O ATOM 245 ND2 ASN B 18 -4.468 -1.485 -9.970 1.00 0.00 N ATOM 0 H ASN B 18 -6.490 1.597 -8.512 1.00 0.00 H new ATOM 0 HA ASN B 18 -5.170 0.757 -6.131 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -4.510 -1.185 -7.475 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -6.211 -0.830 -7.702 1.00 0.00 H new ATOM 0 HD21 ASN B 18 -4.296 -1.505 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN B 18 -4.235 -2.296 -9.397 1.00 0.00 H new ATOM 252 N GLY B 19 -3.391 2.151 -8.478 1.00 0.00 N ATOM 253 CA GLY B 19 -2.067 2.656 -8.772 1.00 0.00 C ATOM 254 C GLY B 19 -1.606 3.686 -7.774 1.00 0.00 C ATOM 255 O GLY B 19 -0.517 3.572 -7.217 1.00 0.00 O ATOM 0 H GLY B 19 -4.116 2.435 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.360 1.826 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -2.063 3.095 -9.770 1.00 0.00 H new ATOM 259 N ALA B 20 -2.436 4.693 -7.554 1.00 0.00 N ATOM 260 CA ALA B 20 -2.171 5.699 -6.533 1.00 0.00 C ATOM 261 C ALA B 20 -2.013 5.025 -5.178 1.00 0.00 C ATOM 262 O ALA B 20 -1.173 5.419 -4.370 1.00 0.00 O ATOM 263 CB ALA B 20 -3.295 6.723 -6.494 1.00 0.00 C ATOM 0 H ALA B 20 -3.304 4.837 -8.071 1.00 0.00 H new ATOM 0 HA ALA B 20 -1.245 6.220 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.083 7.467 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -3.374 7.214 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -4.235 6.222 -6.263 1.00 0.00 H new ATOM 269 N CYS B 21 -2.822 3.993 -4.952 1.00 0.00 N ATOM 270 CA CYS B 21 -2.714 3.172 -3.755 1.00 0.00 C ATOM 271 C CYS B 21 -1.353 2.495 -3.694 1.00 0.00 C ATOM 272 O CYS B 21 -0.673 2.541 -2.668 1.00 0.00 O ATOM 273 CB CYS B 21 -3.820 2.115 -3.730 1.00 0.00 C ATOM 274 SG CYS B 21 -3.622 0.867 -2.421 1.00 0.00 S ATOM 0 H CYS B 21 -3.565 3.706 -5.590 1.00 0.00 H new ATOM 0 HA CYS B 21 -2.825 3.821 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS B 21 -4.781 2.613 -3.601 1.00 0.00 H new ATOM 0 HB3 CYS B 21 -3.849 1.612 -4.696 1.00 0.00 H new ATOM 279 N ARG B 22 -0.939 1.894 -4.809 1.00 0.00 N ATOM 280 CA ARG B 22 0.328 1.187 -4.848 1.00 0.00 C ATOM 281 C ARG B 22 1.451 2.165 -4.575 1.00 0.00 C ATOM 282 O ARG B 22 2.295 1.938 -3.713 1.00 0.00 O ATOM 283 CB ARG B 22 0.539 0.521 -6.212 1.00 0.00 C ATOM 284 CG ARG B 22 1.818 -0.297 -6.288 1.00 0.00 C ATOM 285 CD ARG B 22 2.068 -0.837 -7.687 1.00 0.00 C ATOM 286 NE ARG B 22 2.320 0.236 -8.649 1.00 0.00 N ATOM 287 CZ ARG B 22 3.524 0.530 -9.140 1.00 0.00 C ATOM 288 NH1 ARG B 22 4.591 -0.164 -8.762 1.00 0.00 N ATOM 289 NH2 ARG B 22 3.659 1.518 -10.015 1.00 0.00 N ATOM 0 H ARG B 22 -1.460 1.885 -5.686 1.00 0.00 H new ATOM 0 HA ARG B 22 0.321 0.408 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.311 -0.125 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.560 1.289 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.662 0.321 -5.982 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.759 -1.127 -5.584 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.921 -1.515 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.206 -1.420 -8.011 1.00 0.00 H new ATOM 0 HE ARG B 22 1.526 0.793 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.492 -0.927 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.510 0.066 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.842 2.052 -10.311 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.580 1.744 -10.391 1.00 0.00 H new ATOM 303 N ASN B 23 1.411 3.271 -5.298 1.00 0.00 N ATOM 304 CA ASN B 23 2.421 4.313 -5.220 1.00 0.00 C ATOM 305 C ASN B 23 2.529 4.884 -3.810 1.00 0.00 C ATOM 306 O ASN B 23 3.630 5.099 -3.299 1.00 0.00 O ATOM 307 CB ASN B 23 2.059 5.422 -6.203 1.00 0.00 C ATOM 308 CG ASN B 23 3.081 6.535 -6.264 1.00 0.00 C ATOM 309 OD1 ASN B 23 4.276 6.321 -6.062 1.00 0.00 O ATOM 310 ND2 ASN B 23 2.608 7.736 -6.548 1.00 0.00 N ATOM 0 H ASN B 23 0.666 3.473 -5.965 1.00 0.00 H new ATOM 0 HA ASN B 23 3.389 3.881 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN B 23 1.944 4.991 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN B 23 1.093 5.842 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.242 8.533 -6.607 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.609 7.866 -6.708 1.00 0.00 H new ATOM 317 N GLN B 24 1.383 5.132 -3.193 1.00 0.00 N ATOM 318 CA GLN B 24 1.349 5.614 -1.814 1.00 0.00 C ATOM 319 C GLN B 24 2.053 4.638 -0.884 1.00 0.00 C ATOM 320 O GLN B 24 2.867 5.041 -0.052 1.00 0.00 O ATOM 321 CB GLN B 24 -0.087 5.859 -1.342 1.00 0.00 C ATOM 322 CG GLN B 24 -0.490 7.322 -1.404 1.00 0.00 C ATOM 323 CD GLN B 24 -1.685 7.651 -0.531 1.00 0.00 C ATOM 324 OE1 GLN B 24 -2.475 8.538 -0.856 1.00 0.00 O ATOM 325 NE2 GLN B 24 -1.816 6.958 0.594 1.00 0.00 N ATOM 0 H GLN B 24 0.465 5.009 -3.621 1.00 0.00 H new ATOM 0 HA GLN B 24 1.879 6.566 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -0.771 5.273 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -0.193 5.502 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN B 24 0.356 7.938 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -0.719 7.585 -2.437 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.140 6.231 0.827 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.593 7.153 1.225 1.00 0.00 H new ATOM 334 N CYS B 25 1.757 3.356 -1.043 1.00 0.00 N ATOM 335 CA CYS B 25 2.441 2.316 -0.289 1.00 0.00 C ATOM 336 C CYS B 25 3.943 2.335 -0.576 1.00 0.00 C ATOM 337 O CYS B 25 4.746 2.192 0.339 1.00 0.00 O ATOM 338 CB CYS B 25 1.854 0.943 -0.622 1.00 0.00 C ATOM 339 SG CYS B 25 0.137 0.709 -0.057 1.00 0.00 S ATOM 0 H CYS B 25 1.047 3.011 -1.688 1.00 0.00 H new ATOM 0 HA CYS B 25 2.293 2.512 0.773 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.893 0.795 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.481 0.173 -0.172 1.00 0.00 H new ATOM 344 N ILE B 26 4.319 2.532 -1.843 1.00 0.00 N ATOM 345 CA ILE B 26 5.733 2.571 -2.230 1.00 0.00 C ATOM 346 C ILE B 26 6.468 3.665 -1.468 1.00 0.00 C ATOM 347 O ILE B 26 7.440 3.411 -0.758 1.00 0.00 O ATOM 348 CB ILE B 26 5.932 2.865 -3.738 1.00 0.00 C ATOM 349 CG1 ILE B 26 5.034 1.997 -4.617 1.00 0.00 C ATOM 350 CG2 ILE B 26 7.387 2.661 -4.124 1.00 0.00 C ATOM 351 CD1 ILE B 26 5.135 0.523 -4.335 1.00 0.00 C ATOM 0 H ILE B 26 3.667 2.667 -2.616 1.00 0.00 H new ATOM 0 HA ILE B 26 6.129 1.583 -1.996 1.00 0.00 H new ATOM 0 HB ILE B 26 5.651 3.905 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE B 26 3.999 2.311 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE B 26 5.287 2.174 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE B 26 7.514 2.871 -5.186 1.00 0.00 H new ATOM 0 HG22 ILE B 26 8.016 3.336 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE B 26 7.676 1.630 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE B 26 4.466 -0.022 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE B 26 6.160 0.191 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE B 26 4.852 0.330 -3.300 1.00 0.00 H new ATOM 363 N ARG B 27 5.982 4.881 -1.629 1.00 0.00 N ATOM 364 CA ARG B 27 6.646 6.061 -1.085 1.00 0.00 C ATOM 365 C ARG B 27 6.477 6.155 0.424 1.00 0.00 C ATOM 366 O ARG B 27 7.448 6.119 1.181 1.00 0.00 O ATOM 367 CB ARG B 27 6.074 7.328 -1.721 1.00 0.00 C ATOM 368 CG ARG B 27 6.090 7.318 -3.236 1.00 0.00 C ATOM 369 CD ARG B 27 5.559 8.624 -3.804 1.00 0.00 C ATOM 370 NE ARG B 27 6.386 9.769 -3.417 1.00 0.00 N ATOM 371 CZ ARG B 27 5.910 10.992 -3.175 1.00 0.00 C ATOM 372 NH1 ARG B 27 4.601 11.229 -3.222 1.00 0.00 N ATOM 373 NH2 ARG B 27 6.745 11.979 -2.873 1.00 0.00 N ATOM 0 H ARG B 27 5.121 5.083 -2.137 1.00 0.00 H new ATOM 0 HA ARG B 27 7.708 5.969 -1.314 1.00 0.00 H new ATOM 0 HB2 ARG B 27 5.048 7.462 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG B 27 6.642 8.188 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG B 27 7.108 7.153 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.486 6.488 -3.602 1.00 0.00 H new ATOM 0 HD2 ARG B 27 5.520 8.557 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG B 27 4.538 8.781 -3.457 1.00 0.00 H new ATOM 0 HE ARG B 27 7.391 9.622 -3.327 1.00 0.00 H new ATOM 0 HH11 ARG B 27 3.953 10.473 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG B 27 4.245 12.167 -3.036 1.00 0.00 H new ATOM 0 HH21 ARG B 27 7.748 11.802 -2.826 1.00 0.00 H new ATOM 0 HH22 ARG B 27 6.383 12.914 -2.688 1.00 0.00 H new ATOM 387 N LEU B 28 5.231 6.262 0.851 1.00 0.00 N ATOM 388 CA LEU B 28 4.921 6.596 2.230 1.00 0.00 C ATOM 389 C LEU B 28 5.165 5.422 3.170 1.00 0.00 C ATOM 390 O LEU B 28 5.685 5.603 4.273 1.00 0.00 O ATOM 391 CB LEU B 28 3.468 7.059 2.342 1.00 0.00 C ATOM 392 CG LEU B 28 3.080 8.220 1.422 1.00 0.00 C ATOM 393 CD1 LEU B 28 1.594 8.512 1.531 1.00 0.00 C ATOM 394 CD2 LEU B 28 3.890 9.462 1.758 1.00 0.00 C ATOM 0 H LEU B 28 4.413 6.121 0.258 1.00 0.00 H new ATOM 0 HA LEU B 28 5.589 7.404 2.530 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.816 6.212 2.126 1.00 0.00 H new ATOM 0 HB3 LEU B 28 3.276 7.354 3.374 1.00 0.00 H new ATOM 0 HG LEU B 28 3.301 7.931 0.395 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.336 9.340 0.870 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.027 7.627 1.242 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.350 8.779 2.559 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.600 10.276 1.094 1.00 0.00 H new ATOM 0 HD22 LEU B 28 3.700 9.752 2.791 1.00 0.00 H new ATOM 0 HD23 LEU B 28 4.951 9.250 1.630 1.00 0.00 H new ATOM 406 N GLU B 29 4.805 4.223 2.739 1.00 0.00 N ATOM 407 CA GLU B 29 4.882 3.063 3.618 1.00 0.00 C ATOM 408 C GLU B 29 6.020 2.128 3.230 1.00 0.00 C ATOM 409 O GLU B 29 6.187 1.058 3.816 1.00 0.00 O ATOM 410 CB GLU B 29 3.536 2.340 3.649 1.00 0.00 C ATOM 411 CG GLU B 29 2.427 3.251 4.146 1.00 0.00 C ATOM 412 CD GLU B 29 1.158 2.525 4.534 1.00 0.00 C ATOM 413 OE1 GLU B 29 1.198 1.716 5.487 1.00 0.00 O ATOM 414 OE2 GLU B 29 0.109 2.790 3.916 1.00 0.00 O ATOM 0 H GLU B 29 4.461 4.027 1.799 1.00 0.00 H new ATOM 0 HA GLU B 29 5.106 3.413 4.626 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.292 1.980 2.650 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.607 1.465 4.295 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.790 3.811 5.008 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.193 3.978 3.369 1.00 0.00 H new ATOM 421 N LYS B 30 6.806 2.564 2.251 1.00 0.00 N ATOM 422 CA LYS B 30 8.009 1.848 1.814 1.00 0.00 C ATOM 423 C LYS B 30 7.697 0.412 1.387 1.00 0.00 C ATOM 424 O LYS B 30 8.519 -0.492 1.555 1.00 0.00 O ATOM 425 CB LYS B 30 9.064 1.851 2.921 1.00 0.00 C ATOM 426 CG LYS B 30 9.477 3.245 3.368 1.00 0.00 C ATOM 427 CD LYS B 30 10.534 3.193 4.460 1.00 0.00 C ATOM 428 CE LYS B 30 10.013 2.516 5.717 1.00 0.00 C ATOM 429 NZ LYS B 30 11.066 2.389 6.756 1.00 0.00 N ATOM 0 H LYS B 30 6.630 3.426 1.734 1.00 0.00 H new ATOM 0 HA LYS B 30 8.401 2.373 0.943 1.00 0.00 H new ATOM 0 HB2 LYS B 30 8.678 1.303 3.780 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.946 1.315 2.571 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.862 3.802 2.514 1.00 0.00 H new ATOM 0 HG3 LYS B 30 8.603 3.785 3.732 1.00 0.00 H new ATOM 0 HD2 LYS B 30 11.409 2.656 4.094 1.00 0.00 H new ATOM 0 HD3 LYS B 30 10.859 4.205 4.700 1.00 0.00 H new ATOM 0 HE2 LYS B 30 9.176 3.088 6.117 1.00 0.00 H new ATOM 0 HE3 LYS B 30 9.631 1.527 5.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 10.670 1.922 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 11.854 1.821 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 11.413 3.334 7.016 1.00 0.00 H new ATOM 443 N ALA B 31 6.517 0.214 0.830 1.00 0.00 N ATOM 444 CA ALA B 31 6.094 -1.099 0.376 1.00 0.00 C ATOM 445 C ALA B 31 6.686 -1.410 -0.989 1.00 0.00 C ATOM 446 O ALA B 31 6.929 -0.510 -1.793 1.00 0.00 O ATOM 447 CB ALA B 31 4.578 -1.168 0.322 1.00 0.00 C ATOM 0 H ALA B 31 5.829 0.952 0.680 1.00 0.00 H new ATOM 0 HA ALA B 31 6.456 -1.845 1.084 1.00 0.00 H new ATOM 0 HB1 ALA B 31 4.271 -2.156 -0.020 1.00 0.00 H new ATOM 0 HB2 ALA B 31 4.170 -0.984 1.316 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.204 -0.413 -0.369 1.00 0.00 H new ATOM 453 N ARG B 32 6.924 -2.689 -1.240 1.00 0.00 N ATOM 454 CA ARG B 32 7.494 -3.131 -2.502 1.00 0.00 C ATOM 455 C ARG B 32 6.424 -3.139 -3.584 1.00 0.00 C ATOM 456 O ARG B 32 6.706 -2.919 -4.763 1.00 0.00 O ATOM 457 CB ARG B 32 8.079 -4.534 -2.348 1.00 0.00 C ATOM 458 CG ARG B 32 9.104 -4.667 -1.233 1.00 0.00 C ATOM 459 CD ARG B 32 10.359 -3.855 -1.505 1.00 0.00 C ATOM 460 NE ARG B 32 11.362 -4.056 -0.461 1.00 0.00 N ATOM 461 CZ ARG B 32 12.549 -3.451 -0.432 1.00 0.00 C ATOM 462 NH1 ARG B 32 12.895 -2.599 -1.387 1.00 0.00 N ATOM 463 NH2 ARG B 32 13.393 -3.702 0.559 1.00 0.00 N ATOM 0 H ARG B 32 6.729 -3.443 -0.581 1.00 0.00 H new ATOM 0 HA ARG B 32 8.287 -2.441 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG B 32 7.266 -5.236 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG B 32 8.544 -4.826 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.659 -4.341 -0.293 1.00 0.00 H new ATOM 0 HG3 ARG B 32 9.372 -5.717 -1.112 1.00 0.00 H new ATOM 0 HD2 ARG B 32 10.776 -4.139 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG B 32 10.103 -2.797 -1.567 1.00 0.00 H new ATOM 0 HE ARG B 32 11.139 -4.702 0.296 1.00 0.00 H new ATOM 0 HH11 ARG B 32 12.250 -2.402 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG B 32 13.806 -2.141 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG B 32 13.133 -4.357 1.297 1.00 0.00 H new ATOM 0 HH22 ARG B 32 14.302 -3.240 0.584 1.00 0.00 H new ATOM 477 N HIS B 33 5.194 -3.394 -3.165 1.00 0.00 N ATOM 478 CA HIS B 33 4.056 -3.438 -4.068 1.00 0.00 C ATOM 479 C HIS B 33 2.796 -3.052 -3.297 1.00 0.00 C ATOM 480 O HIS B 33 2.824 -2.961 -2.073 1.00 0.00 O ATOM 481 CB HIS B 33 3.939 -4.847 -4.687 1.00 0.00 C ATOM 482 CG HIS B 33 2.818 -5.010 -5.675 1.00 0.00 C ATOM 483 ND1 HIS B 33 2.844 -4.481 -6.949 1.00 0.00 N ATOM 484 CD2 HIS B 33 1.625 -5.642 -5.560 1.00 0.00 C ATOM 485 CE1 HIS B 33 1.715 -4.778 -7.570 1.00 0.00 C ATOM 486 NE2 HIS B 33 0.959 -5.483 -6.749 1.00 0.00 N ATOM 0 H HIS B 33 4.957 -3.576 -2.190 1.00 0.00 H new ATOM 0 HA HIS B 33 4.189 -2.729 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.879 -5.090 -5.182 1.00 0.00 H new ATOM 0 HB3 HIS B 33 3.805 -5.571 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS B 33 1.264 -6.173 -4.692 1.00 0.00 H new ATOM 0 HE1 HIS B 33 1.455 -4.492 -8.579 1.00 0.00 H new ATOM 0 HE2 HIS B 33 0.032 -5.850 -6.963 1.00 0.00 H new ATOM 495 N GLY B 34 1.712 -2.794 -4.009 1.00 0.00 N ATOM 496 CA GLY B 34 0.450 -2.486 -3.368 1.00 0.00 C ATOM 497 C GLY B 34 -0.698 -2.678 -4.326 1.00 0.00 C ATOM 498 O GLY B 34 -0.478 -2.787 -5.534 1.00 0.00 O ATOM 0 H GLY B 34 1.683 -2.792 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY B 34 0.314 -3.127 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY B 34 0.461 -1.457 -3.008 1.00 0.00 H new ATOM 502 N SER B 35 -1.911 -2.730 -3.805 1.00 0.00 N ATOM 503 CA SER B 35 -3.080 -2.957 -4.633 1.00 0.00 C ATOM 504 C SER B 35 -4.337 -2.503 -3.901 1.00 0.00 C ATOM 505 O SER B 35 -4.366 -2.448 -2.670 1.00 0.00 O ATOM 506 CB SER B 35 -3.182 -4.447 -4.983 1.00 0.00 C ATOM 507 OG SER B 35 -4.054 -4.669 -6.080 1.00 0.00 O ATOM 0 H SER B 35 -2.111 -2.618 -2.811 1.00 0.00 H new ATOM 0 HA SER B 35 -2.985 -2.380 -5.553 1.00 0.00 H new ATOM 0 HB2 SER B 35 -2.191 -4.834 -5.221 1.00 0.00 H new ATOM 0 HB3 SER B 35 -3.540 -5.001 -4.115 1.00 0.00 H new ATOM 0 HG SER B 35 -4.094 -5.628 -6.277 1.00 0.00 H new ATOM 513 N CYS B 36 -5.369 -2.176 -4.658 1.00 0.00 N ATOM 514 CA CYS B 36 -6.640 -1.790 -4.078 1.00 0.00 C ATOM 515 C CYS B 36 -7.505 -3.033 -3.932 1.00 0.00 C ATOM 516 O CYS B 36 -8.473 -3.235 -4.669 1.00 0.00 O ATOM 517 CB CYS B 36 -7.329 -0.741 -4.950 1.00 0.00 C ATOM 518 SG CYS B 36 -8.782 0.038 -4.184 1.00 0.00 S ATOM 0 H CYS B 36 -5.350 -2.171 -5.678 1.00 0.00 H new ATOM 0 HA CYS B 36 -6.480 -1.344 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS B 36 -6.607 0.035 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS B 36 -7.634 -1.208 -5.886 1.00 0.00 H new ATOM 523 N ASN B 37 -7.125 -3.865 -2.972 1.00 0.00 N ATOM 524 CA ASN B 37 -7.722 -5.178 -2.787 1.00 0.00 C ATOM 525 C ASN B 37 -9.200 -5.078 -2.453 1.00 0.00 C ATOM 526 O ASN B 37 -9.668 -4.080 -1.898 1.00 0.00 O ATOM 527 CB ASN B 37 -6.962 -5.945 -1.697 1.00 0.00 C ATOM 528 CG ASN B 37 -7.837 -6.467 -0.581 1.00 0.00 C ATOM 529 OD1 ASN B 37 -8.289 -7.610 -0.604 1.00 0.00 O ATOM 530 ND2 ASN B 37 -8.100 -5.622 0.392 1.00 0.00 N ATOM 0 H ASN B 37 -6.391 -3.646 -2.298 1.00 0.00 H new ATOM 0 HA ASN B 37 -7.643 -5.726 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -6.439 -6.784 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -6.202 -5.290 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.700 -5.907 1.166 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -7.704 -4.682 0.372 1.00 0.00 H new ATOM 537 N TYR B 38 -9.924 -6.125 -2.793 1.00 0.00 N ATOM 538 CA TYR B 38 -11.354 -6.161 -2.574 1.00 0.00 C ATOM 539 C TYR B 38 -11.685 -6.883 -1.278 1.00 0.00 C ATOM 540 O TYR B 38 -12.035 -8.065 -1.277 1.00 0.00 O ATOM 541 CB TYR B 38 -12.064 -6.833 -3.747 1.00 0.00 C ATOM 542 CG TYR B 38 -13.565 -6.856 -3.594 1.00 0.00 C ATOM 543 CD1 TYR B 38 -14.291 -5.677 -3.575 1.00 0.00 C ATOM 544 CD2 TYR B 38 -14.251 -8.054 -3.465 1.00 0.00 C ATOM 545 CE1 TYR B 38 -15.663 -5.688 -3.434 1.00 0.00 C ATOM 546 CE2 TYR B 38 -15.623 -8.076 -3.322 1.00 0.00 C ATOM 547 CZ TYR B 38 -16.325 -6.890 -3.308 1.00 0.00 C ATOM 548 OH TYR B 38 -17.694 -6.907 -3.170 1.00 0.00 O ATOM 0 H TYR B 38 -9.542 -6.967 -3.225 1.00 0.00 H new ATOM 0 HA TYR B 38 -11.707 -5.133 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR B 38 -11.806 -6.310 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR B 38 -11.699 -7.855 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR B 38 -13.775 -4.733 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR B 38 -13.703 -8.984 -3.477 1.00 0.00 H new ATOM 0 HE1 TYR B 38 -16.215 -4.760 -3.422 1.00 0.00 H new ATOM 0 HE2 TYR B 38 -16.144 -9.017 -3.222 1.00 0.00 H new ATOM 0 HH TYR B 38 -17.935 -7.408 -2.363 1.00 0.00 H new ATOM 558 N VAL B 39 -11.538 -6.180 -0.171 1.00 0.00 N ATOM 559 CA VAL B 39 -12.018 -6.685 1.100 1.00 0.00 C ATOM 560 C VAL B 39 -13.530 -6.461 1.185 1.00 0.00 C ATOM 561 O VAL B 39 -14.002 -5.348 1.435 1.00 0.00 O ATOM 562 CB VAL B 39 -11.278 -6.040 2.302 1.00 0.00 C ATOM 563 CG1 VAL B 39 -11.323 -4.521 2.235 1.00 0.00 C ATOM 564 CG2 VAL B 39 -11.850 -6.541 3.620 1.00 0.00 C ATOM 0 H VAL B 39 -11.093 -5.263 -0.126 1.00 0.00 H new ATOM 0 HA VAL B 39 -11.807 -7.753 1.155 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.232 -6.341 2.246 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -10.795 -4.103 3.092 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -10.846 -4.183 1.315 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.360 -4.187 2.250 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -11.316 -6.076 4.449 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -12.907 -6.283 3.679 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.737 -7.624 3.678 1.00 0.00 H new ATOM 574 N PHE B 40 -14.275 -7.537 0.939 1.00 0.00 N ATOM 575 CA PHE B 40 -15.728 -7.480 0.788 1.00 0.00 C ATOM 576 C PHE B 40 -16.378 -6.644 1.889 1.00 0.00 C ATOM 577 O PHE B 40 -16.060 -6.804 3.070 1.00 0.00 O ATOM 578 CB PHE B 40 -16.300 -8.901 0.799 1.00 0.00 C ATOM 579 CG PHE B 40 -17.777 -8.982 0.521 1.00 0.00 C ATOM 580 CD1 PHE B 40 -18.251 -8.973 -0.780 1.00 0.00 C ATOM 581 CD2 PHE B 40 -18.689 -9.070 1.562 1.00 0.00 C ATOM 582 CE1 PHE B 40 -19.606 -9.050 -1.040 1.00 0.00 C ATOM 583 CE2 PHE B 40 -20.045 -9.147 1.308 1.00 0.00 C ATOM 584 CZ PHE B 40 -20.505 -9.136 0.006 1.00 0.00 C ATOM 0 H PHE B 40 -13.887 -8.475 0.839 1.00 0.00 H new ATOM 0 HA PHE B 40 -15.951 -6.999 -0.164 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -15.770 -9.498 0.057 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -16.101 -9.352 1.771 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -17.553 -8.905 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -18.335 -9.078 2.582 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -19.962 -9.043 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.745 -9.216 2.128 1.00 0.00 H new ATOM 0 HZ PHE B 40 -21.565 -9.194 -0.194 1.00 0.00 H new ATOM 594 N PRO B 41 -17.320 -5.759 1.523 1.00 0.00 N ATOM 595 CA PRO B 41 -17.795 -5.591 0.154 1.00 0.00 C ATOM 596 C PRO B 41 -17.209 -4.366 -0.560 1.00 0.00 C ATOM 597 O PRO B 41 -17.847 -3.802 -1.455 1.00 0.00 O ATOM 598 CB PRO B 41 -19.281 -5.374 0.403 1.00 0.00 C ATOM 599 CG PRO B 41 -19.327 -4.566 1.666 1.00 0.00 C ATOM 600 CD PRO B 41 -18.051 -4.864 2.429 1.00 0.00 C ATOM 0 HA PRO B 41 -17.523 -6.427 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -19.751 -4.845 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -19.809 -6.321 0.516 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -19.402 -3.502 1.441 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -20.202 -4.829 2.260 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -17.486 -3.956 2.640 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -18.257 -5.341 3.387 1.00 0.00 H new ATOM 608 N ALA B 42 -16.011 -3.953 -0.175 1.00 0.00 N ATOM 609 CA ALA B 42 -15.438 -2.719 -0.704 1.00 0.00 C ATOM 610 C ALA B 42 -13.986 -2.896 -1.127 1.00 0.00 C ATOM 611 O ALA B 42 -13.371 -3.928 -0.875 1.00 0.00 O ATOM 612 CB ALA B 42 -15.542 -1.619 0.338 1.00 0.00 C ATOM 0 H ALA B 42 -15.420 -4.446 0.494 1.00 0.00 H new ATOM 0 HA ALA B 42 -16.006 -2.445 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -15.113 -0.699 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -16.590 -1.453 0.588 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -14.998 -1.915 1.235 1.00 0.00 H new ATOM 618 N HIS B 43 -13.450 -1.882 -1.790 1.00 0.00 N ATOM 619 CA HIS B 43 -12.043 -1.863 -2.155 1.00 0.00 C ATOM 620 C HIS B 43 -11.257 -1.003 -1.180 1.00 0.00 C ATOM 621 O HIS B 43 -11.628 0.139 -0.896 1.00 0.00 O ATOM 622 CB HIS B 43 -11.843 -1.343 -3.580 1.00 0.00 C ATOM 623 CG HIS B 43 -12.125 -2.360 -4.640 1.00 0.00 C ATOM 624 ND1 HIS B 43 -11.145 -3.150 -5.206 1.00 0.00 N ATOM 625 CD2 HIS B 43 -13.283 -2.713 -5.245 1.00 0.00 C ATOM 626 CE1 HIS B 43 -11.689 -3.943 -6.108 1.00 0.00 C ATOM 627 NE2 HIS B 43 -12.983 -3.699 -6.151 1.00 0.00 N ATOM 0 H HIS B 43 -13.972 -1.058 -2.087 1.00 0.00 H new ATOM 0 HA HIS B 43 -11.676 -2.888 -2.111 1.00 0.00 H new ATOM 0 HB2 HIS B 43 -12.491 -0.480 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS B 43 -10.816 -0.994 -3.689 1.00 0.00 H new ATOM 0 HD1 HIS B 43 -10.154 -3.124 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS B 43 -14.260 -2.297 -5.051 1.00 0.00 H new ATOM 0 HE1 HIS B 43 -11.163 -4.669 -6.710 1.00 0.00 H new ATOM 636 N LYS B 44 -10.170 -1.556 -0.675 1.00 0.00 N ATOM 637 CA LYS B 44 -9.328 -0.862 0.284 1.00 0.00 C ATOM 638 C LYS B 44 -7.889 -0.872 -0.179 1.00 0.00 C ATOM 639 O LYS B 44 -7.445 -1.811 -0.840 1.00 0.00 O ATOM 640 CB LYS B 44 -9.434 -1.516 1.660 1.00 0.00 C ATOM 641 CG LYS B 44 -10.636 -1.055 2.465 1.00 0.00 C ATOM 642 CD LYS B 44 -10.452 0.369 2.958 1.00 0.00 C ATOM 643 CE LYS B 44 -11.590 0.798 3.868 1.00 0.00 C ATOM 644 NZ LYS B 44 -11.348 2.141 4.456 1.00 0.00 N ATOM 0 H LYS B 44 -9.846 -2.493 -0.915 1.00 0.00 H new ATOM 0 HA LYS B 44 -9.671 0.170 0.358 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -9.485 -2.598 1.535 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -8.526 -1.303 2.225 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -11.534 -1.117 1.851 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -10.785 -1.721 3.315 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -9.507 0.449 3.494 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -10.393 1.045 2.105 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -12.522 0.811 3.303 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -11.712 0.067 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -12.054 2.328 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -10.395 2.172 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -11.426 2.864 3.713 1.00 0.00 H new ATOM 658 N CYS B 45 -7.164 0.175 0.167 1.00 0.00 N ATOM 659 CA CYS B 45 -5.766 0.275 -0.198 1.00 0.00 C ATOM 660 C CYS B 45 -4.952 -0.667 0.670 1.00 0.00 C ATOM 661 O CYS B 45 -4.925 -0.532 1.897 1.00 0.00 O ATOM 662 CB CYS B 45 -5.263 1.707 -0.043 1.00 0.00 C ATOM 663 SG CYS B 45 -3.596 1.965 -0.717 1.00 0.00 S ATOM 0 H CYS B 45 -7.521 0.968 0.700 1.00 0.00 H new ATOM 0 HA CYS B 45 -5.654 -0.007 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS B 45 -5.957 2.384 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS B 45 -5.264 1.972 1.014 1.00 0.00 H new ATOM 668 N ILE B 46 -4.317 -1.635 0.041 1.00 0.00 N ATOM 669 CA ILE B 46 -3.582 -2.654 0.760 1.00 0.00 C ATOM 670 C ILE B 46 -2.151 -2.746 0.240 1.00 0.00 C ATOM 671 O ILE B 46 -1.922 -3.021 -0.941 1.00 0.00 O ATOM 672 CB ILE B 46 -4.297 -4.025 0.649 1.00 0.00 C ATOM 673 CG1 ILE B 46 -5.651 -3.990 1.361 1.00 0.00 C ATOM 674 CG2 ILE B 46 -3.440 -5.138 1.216 1.00 0.00 C ATOM 675 CD1 ILE B 46 -5.567 -3.683 2.837 1.00 0.00 C ATOM 0 H ILE B 46 -4.296 -1.737 -0.974 1.00 0.00 H new ATOM 0 HA ILE B 46 -3.546 -2.375 1.813 1.00 0.00 H new ATOM 0 HB ILE B 46 -4.462 -4.225 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -6.282 -3.242 0.881 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.143 -4.954 1.229 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -3.968 -6.087 1.124 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -2.501 -5.191 0.665 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -3.233 -4.938 2.267 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -6.569 -3.677 3.265 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.965 -4.444 3.333 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.106 -2.706 2.980 1.00 0.00 H new ATOM 687 N CYS B 47 -1.197 -2.491 1.123 1.00 0.00 N ATOM 688 CA CYS B 47 0.213 -2.510 0.762 1.00 0.00 C ATOM 689 C CYS B 47 0.750 -3.932 0.825 1.00 0.00 C ATOM 690 O CYS B 47 0.249 -4.757 1.580 1.00 0.00 O ATOM 691 CB CYS B 47 1.010 -1.609 1.707 1.00 0.00 C ATOM 692 SG CYS B 47 0.342 0.079 1.863 1.00 0.00 S ATOM 0 H CYS B 47 -1.376 -2.267 2.102 1.00 0.00 H new ATOM 0 HA CYS B 47 0.319 -2.137 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS B 47 1.038 -2.070 2.694 1.00 0.00 H new ATOM 0 HB3 CYS B 47 2.039 -1.550 1.354 1.00 0.00 H new ATOM 697 N TYR B 48 1.753 -4.226 0.016 1.00 0.00 N ATOM 698 CA TYR B 48 2.349 -5.554 -0.006 1.00 0.00 C ATOM 699 C TYR B 48 3.777 -5.520 0.505 1.00 0.00 C ATOM 700 O TYR B 48 4.631 -4.809 -0.035 1.00 0.00 O ATOM 701 CB TYR B 48 2.337 -6.130 -1.419 1.00 0.00 C ATOM 702 CG TYR B 48 0.971 -6.540 -1.914 1.00 0.00 C ATOM 703 CD1 TYR B 48 -0.117 -5.688 -1.805 1.00 0.00 C ATOM 704 CD2 TYR B 48 0.776 -7.779 -2.499 1.00 0.00 C ATOM 705 CE1 TYR B 48 -1.358 -6.054 -2.264 1.00 0.00 C ATOM 706 CE2 TYR B 48 -0.463 -8.157 -2.967 1.00 0.00 C ATOM 707 CZ TYR B 48 -1.531 -7.289 -2.850 1.00 0.00 C ATOM 708 OH TYR B 48 -2.771 -7.652 -3.316 1.00 0.00 O ATOM 0 H TYR B 48 2.173 -3.563 -0.636 1.00 0.00 H new ATOM 0 HA TYR B 48 1.752 -6.189 0.648 1.00 0.00 H new ATOM 0 HB2 TYR B 48 2.751 -5.390 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR B 48 2.997 -6.997 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR B 48 0.014 -4.717 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR B 48 1.609 -8.461 -2.590 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -2.194 -5.378 -2.166 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -0.599 -9.127 -3.423 1.00 0.00 H new ATOM 0 HH TYR B 48 -2.725 -8.552 -3.702 1.00 0.00 H new ATOM 718 N PHE B 49 4.028 -6.290 1.546 1.00 0.00 N ATOM 719 CA PHE B 49 5.363 -6.429 2.087 1.00 0.00 C ATOM 720 C PHE B 49 5.770 -7.891 2.045 1.00 0.00 C ATOM 721 O PHE B 49 4.977 -8.773 2.370 1.00 0.00 O ATOM 722 CB PHE B 49 5.430 -5.907 3.522 1.00 0.00 C ATOM 723 CG PHE B 49 5.044 -4.462 3.654 1.00 0.00 C ATOM 724 CD1 PHE B 49 5.995 -3.468 3.515 1.00 0.00 C ATOM 725 CD2 PHE B 49 3.733 -4.100 3.915 1.00 0.00 C ATOM 726 CE1 PHE B 49 5.645 -2.135 3.632 1.00 0.00 C ATOM 727 CE2 PHE B 49 3.378 -2.773 4.035 1.00 0.00 C ATOM 728 CZ PHE B 49 4.334 -1.787 3.893 1.00 0.00 C ATOM 0 H PHE B 49 3.317 -6.833 2.036 1.00 0.00 H new ATOM 0 HA PHE B 49 6.050 -5.838 1.482 1.00 0.00 H new ATOM 0 HB2 PHE B 49 4.773 -6.509 4.150 1.00 0.00 H new ATOM 0 HB3 PHE B 49 6.443 -6.040 3.901 1.00 0.00 H new ATOM 0 HD1 PHE B 49 7.022 -3.735 3.313 1.00 0.00 H new ATOM 0 HD2 PHE B 49 2.980 -4.866 4.026 1.00 0.00 H new ATOM 0 HE1 PHE B 49 6.396 -1.367 3.519 1.00 0.00 H new ATOM 0 HE2 PHE B 49 2.352 -2.505 4.240 1.00 0.00 H new ATOM 0 HZ PHE B 49 4.058 -0.747 3.986 1.00 0.00 H new ATOM 738 N PRO B 50 6.995 -8.174 1.610 1.00 0.00 N ATOM 739 CA PRO B 50 7.500 -9.539 1.540 1.00 0.00 C ATOM 740 C PRO B 50 7.579 -10.191 2.907 1.00 0.00 C ATOM 741 O PRO B 50 8.301 -9.721 3.789 1.00 0.00 O ATOM 742 CB PRO B 50 8.901 -9.399 0.958 1.00 0.00 C ATOM 743 CG PRO B 50 8.965 -8.026 0.382 1.00 0.00 C ATOM 744 CD PRO B 50 7.982 -7.191 1.156 1.00 0.00 C ATOM 0 HA PRO B 50 6.842 -10.170 0.942 1.00 0.00 H new ATOM 0 HB2 PRO B 50 9.660 -9.536 1.728 1.00 0.00 H new ATOM 0 HB3 PRO B 50 9.084 -10.153 0.193 1.00 0.00 H new ATOM 0 HG2 PRO B 50 9.972 -7.617 0.466 1.00 0.00 H new ATOM 0 HG3 PRO B 50 8.713 -8.038 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO B 50 8.458 -6.681 1.994 1.00 0.00 H new ATOM 0 HD3 PRO B 50 7.527 -6.422 0.532 1.00 0.00 H new ATOM 752 N CYS B 51 6.828 -11.259 3.088 1.00 0.00 N ATOM 753 CA CYS B 51 6.914 -12.016 4.330 1.00 0.00 C ATOM 754 C CYS B 51 7.275 -13.469 4.035 1.00 0.00 C ATOM 755 O CYS B 51 6.567 -14.127 3.236 1.00 0.00 O ATOM 756 CB CYS B 51 5.632 -11.897 5.178 1.00 0.00 C ATOM 757 SG CYS B 51 4.433 -13.263 5.018 1.00 0.00 S ATOM 758 OXT CYS B 51 8.298 -13.941 4.570 1.00 0.00 O ATOM 0 H CYS B 51 6.161 -11.621 2.407 1.00 0.00 H new ATOM 0 HA CYS B 51 7.711 -11.583 4.934 1.00 0.00 H new ATOM 0 HB2 CYS B 51 5.920 -11.815 6.226 1.00 0.00 H new ATOM 0 HB3 CYS B 51 5.130 -10.967 4.912 1.00 0.00 H new TER 763 CYS B 51