USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot -55:sc= 0.789 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 45 SER OG : rot 78:sc= 1.61 USER MOD Set 2.2: A 58 THR OG1 : rot 73:sc= 0.976 USER MOD Single : A 12 GLN : amide:sc= 1.28 K(o=1.3,f=-12!) USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= -0.0153 (180deg=-0.174) USER MOD Single : A 17 THR OG1 : rot -79:sc= 0.963 USER MOD Single : A 22 SER OG : rot -160:sc= -0.155 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc=-0.00326 (180deg=-0.0903) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.54 USER MOD Single : A 36 THR OG1 : rot 56:sc= 0.267 USER MOD Single : A 37 SER OG : rot 180:sc= 0.14 USER MOD Single : A 42 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-8.9!) USER MOD Single : A 46 HIS : no HD1:sc= 0.339 K(o=0.34,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= 0.83 (180deg=0.406) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.237 K(o=0.24,f=-4.4!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-4.3!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.74 F(o=-3.3!,f=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.282 (180deg=0.175) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc=-0.00536 (180deg=-0.122) USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0.495 (180deg=0.456) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= 0.813 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 12.471 0.003 -7.337 1.00 0.00 N ATOM 62 CA GLY A 5 12.773 1.199 -6.563 1.00 0.00 C ATOM 63 C GLY A 5 13.004 0.803 -5.110 1.00 0.00 C ATOM 64 O GLY A 5 12.218 1.170 -4.238 1.00 0.00 O ATOM 0 HA2 GLY A 5 13.658 1.694 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.951 1.911 -6.633 1.00 0.00 H new ATOM 68 N ALA A 6 14.059 0.017 -4.878 1.00 0.00 N ATOM 69 CA ALA A 6 14.423 -0.550 -3.586 1.00 0.00 C ATOM 70 C ALA A 6 14.562 0.509 -2.493 1.00 0.00 C ATOM 71 O ALA A 6 15.512 1.289 -2.494 1.00 0.00 O ATOM 72 CB ALA A 6 15.708 -1.369 -3.729 1.00 0.00 C ATOM 0 H ALA A 6 14.707 -0.250 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 6 13.610 -1.203 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.979 -1.792 -2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.548 -2.174 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.513 -0.724 -4.081 1.00 0.00 H new ATOM 78 N CYS A 7 13.596 0.545 -1.577 1.00 0.00 N ATOM 79 CA CYS A 7 13.566 1.434 -0.427 1.00 0.00 C ATOM 80 C CYS A 7 12.994 0.657 0.747 1.00 0.00 C ATOM 81 O CYS A 7 12.164 -0.230 0.549 1.00 0.00 O ATOM 82 CB CYS A 7 12.799 2.711 -0.754 1.00 0.00 C ATOM 83 SG CYS A 7 11.020 2.555 -0.997 1.00 0.00 S ATOM 0 H CYS A 7 12.783 -0.070 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 7 14.568 1.767 -0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.970 3.425 0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.228 3.142 -1.658 1.00 0.00 H new ATOM 88 N GLU A 8 13.467 0.960 1.957 1.00 0.00 N ATOM 89 CA GLU A 8 13.085 0.256 3.164 1.00 0.00 C ATOM 90 C GLU A 8 12.027 1.048 3.934 1.00 0.00 C ATOM 91 O GLU A 8 11.025 0.473 4.353 1.00 0.00 O ATOM 92 CB GLU A 8 14.340 -0.010 4.004 1.00 0.00 C ATOM 93 CG GLU A 8 15.325 -0.931 3.273 1.00 0.00 C ATOM 94 CD GLU A 8 16.521 -1.254 4.161 1.00 0.00 C ATOM 95 OE1 GLU A 8 16.353 -2.117 5.050 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.574 -0.616 3.948 1.00 0.00 O ATOM 0 H GLU A 8 14.135 1.713 2.119 1.00 0.00 H new ATOM 0 HA GLU A 8 12.634 -0.704 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.830 0.936 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.054 -0.463 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.821 -1.853 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.666 -0.452 2.355 1.00 0.00 H new ATOM 103 N ARG A 9 12.249 2.353 4.121 1.00 0.00 N ATOM 104 CA ARG A 9 11.340 3.231 4.860 1.00 0.00 C ATOM 105 C ARG A 9 10.742 4.256 3.905 1.00 0.00 C ATOM 106 O ARG A 9 11.477 4.861 3.126 1.00 0.00 O ATOM 107 CB ARG A 9 12.049 3.998 5.980 1.00 0.00 C ATOM 108 CG ARG A 9 12.691 3.156 7.091 1.00 0.00 C ATOM 109 CD ARG A 9 13.973 2.414 6.694 1.00 0.00 C ATOM 110 NE ARG A 9 14.918 3.249 5.938 1.00 0.00 N ATOM 111 CZ ARG A 9 15.756 4.149 6.474 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.683 4.451 7.775 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.675 4.740 5.704 1.00 0.00 N ATOM 0 H ARG A 9 13.073 2.833 3.759 1.00 0.00 H new ATOM 0 HA ARG A 9 10.574 2.595 5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.825 4.617 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.328 4.674 6.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.915 3.808 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.961 2.425 7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.465 2.045 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.709 1.542 6.095 1.00 0.00 H new ATOM 0 HE ARG A 9 14.938 3.135 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.987 3.996 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.323 5.136 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.737 4.506 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.314 5.425 6.107 1.00 0.00 H new ATOM 127 N ASP A 10 9.433 4.490 4.029 1.00 0.00 N ATOM 128 CA ASP A 10 8.631 5.376 3.182 1.00 0.00 C ATOM 129 C ASP A 10 9.383 6.649 2.802 1.00 0.00 C ATOM 130 O ASP A 10 9.510 6.980 1.624 1.00 0.00 O ATOM 131 CB ASP A 10 7.345 5.789 3.905 1.00 0.00 C ATOM 132 CG ASP A 10 6.330 4.690 4.156 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.444 3.566 3.616 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.393 5.003 4.917 1.00 0.00 O ATOM 0 H ASP A 10 8.877 4.045 4.759 1.00 0.00 H new ATOM 0 HA ASP A 10 8.404 4.813 2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.618 6.227 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.862 6.573 3.322 1.00 0.00 H new ATOM 139 N LEU A 11 9.868 7.352 3.830 1.00 0.00 N ATOM 140 CA LEU A 11 10.595 8.612 3.747 1.00 0.00 C ATOM 141 C LEU A 11 11.689 8.624 2.679 1.00 0.00 C ATOM 142 O LEU A 11 11.950 9.669 2.090 1.00 0.00 O ATOM 143 CB LEU A 11 11.141 8.980 5.136 1.00 0.00 C ATOM 144 CG LEU A 11 12.121 7.943 5.722 1.00 0.00 C ATOM 145 CD1 LEU A 11 13.582 8.367 5.523 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.854 7.763 7.220 1.00 0.00 C ATOM 0 H LEU A 11 9.755 7.036 4.793 1.00 0.00 H new ATOM 0 HA LEU A 11 9.888 9.376 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.644 9.945 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.304 9.102 5.823 1.00 0.00 H new ATOM 0 HG LEU A 11 11.960 7.004 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.242 7.611 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.789 8.470 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.755 9.321 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.549 7.029 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.991 8.716 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.832 7.415 7.368 1.00 0.00 H new ATOM 158 N GLN A 12 12.341 7.485 2.425 1.00 0.00 N ATOM 159 CA GLN A 12 13.384 7.400 1.418 1.00 0.00 C ATOM 160 C GLN A 12 12.837 7.712 0.023 1.00 0.00 C ATOM 161 O GLN A 12 13.569 8.240 -0.810 1.00 0.00 O ATOM 162 CB GLN A 12 14.003 6.002 1.433 1.00 0.00 C ATOM 163 CG GLN A 12 14.613 5.654 2.793 1.00 0.00 C ATOM 164 CD GLN A 12 15.306 4.300 2.736 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.692 3.266 2.985 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.599 4.281 2.429 1.00 0.00 N ATOM 0 H GLN A 12 12.157 6.607 2.911 1.00 0.00 H new ATOM 0 HA GLN A 12 14.147 8.142 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.240 5.266 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.773 5.939 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.328 6.423 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.833 5.638 3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.088 5.153 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.102 3.395 2.396 1.00 0.00 H new ATOM 175 N CYS A 13 11.574 7.353 -0.239 1.00 0.00 N ATOM 176 CA CYS A 13 10.926 7.571 -1.526 1.00 0.00 C ATOM 177 C CYS A 13 9.965 8.752 -1.436 1.00 0.00 C ATOM 178 O CYS A 13 10.111 9.736 -2.158 1.00 0.00 O ATOM 179 CB CYS A 13 10.245 6.285 -1.998 1.00 0.00 C ATOM 180 SG CYS A 13 10.144 6.204 -3.796 1.00 0.00 S ATOM 0 H CYS A 13 10.972 6.899 0.448 1.00 0.00 H new ATOM 0 HA CYS A 13 11.673 7.827 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.798 5.423 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.242 6.228 -1.574 1.00 0.00 H new ATOM 185 N GLY A 14 8.990 8.676 -0.527 1.00 0.00 N ATOM 186 CA GLY A 14 8.057 9.754 -0.233 1.00 0.00 C ATOM 187 C GLY A 14 7.011 10.035 -1.299 1.00 0.00 C ATOM 188 O GLY A 14 5.818 9.785 -1.143 1.00 0.00 O ATOM 0 H GLY A 14 8.828 7.841 0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.544 9.520 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.628 10.667 -0.062 1.00 0.00 H new ATOM 192 N LYS A 15 7.519 10.629 -2.361 1.00 0.00 N ATOM 193 CA LYS A 15 6.828 11.149 -3.536 1.00 0.00 C ATOM 194 C LYS A 15 5.682 10.231 -3.975 1.00 0.00 C ATOM 195 O LYS A 15 5.897 9.289 -4.736 1.00 0.00 O ATOM 196 CB LYS A 15 7.835 11.363 -4.680 1.00 0.00 C ATOM 197 CG LYS A 15 9.028 12.272 -4.342 1.00 0.00 C ATOM 198 CD LYS A 15 8.605 13.682 -3.903 1.00 0.00 C ATOM 199 CE LYS A 15 9.820 14.578 -3.631 1.00 0.00 C ATOM 200 NZ LYS A 15 10.617 14.821 -4.847 1.00 0.00 N ATOM 0 H LYS A 15 8.526 10.776 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 15 6.381 12.108 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.217 10.391 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.306 11.787 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.615 11.811 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.677 12.349 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.985 14.134 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.993 13.615 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.482 15.531 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.450 14.113 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.289 15.595 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.140 13.958 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.984 15.082 -5.630 1.00 0.00 H new ATOM 214 N GLY A 16 4.473 10.500 -3.466 1.00 0.00 N ATOM 215 CA GLY A 16 3.256 9.738 -3.729 1.00 0.00 C ATOM 216 C GLY A 16 3.459 8.229 -3.583 1.00 0.00 C ATOM 217 O GLY A 16 2.803 7.447 -4.273 1.00 0.00 O ATOM 0 H GLY A 16 4.315 11.286 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.474 10.063 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.906 9.957 -4.738 1.00 0.00 H new ATOM 221 N THR A 17 4.366 7.812 -2.696 1.00 0.00 N ATOM 222 CA THR A 17 4.710 6.414 -2.513 1.00 0.00 C ATOM 223 C THR A 17 4.926 6.099 -1.032 1.00 0.00 C ATOM 224 O THR A 17 5.008 6.996 -0.195 1.00 0.00 O ATOM 225 CB THR A 17 5.994 6.109 -3.322 1.00 0.00 C ATOM 226 OG1 THR A 17 6.911 7.175 -3.172 1.00 0.00 O ATOM 227 CG2 THR A 17 5.753 5.924 -4.823 1.00 0.00 C ATOM 0 H THR A 17 4.881 8.445 -2.084 1.00 0.00 H new ATOM 0 HA THR A 17 3.891 5.789 -2.870 1.00 0.00 H new ATOM 0 HB THR A 17 6.377 5.169 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.652 7.915 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.700 5.714 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.067 5.092 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.320 6.835 -5.237 1.00 0.00 H new ATOM 235 N CYS A 18 5.016 4.806 -0.727 1.00 0.00 N ATOM 236 CA CYS A 18 5.354 4.242 0.568 1.00 0.00 C ATOM 237 C CYS A 18 6.264 3.048 0.254 1.00 0.00 C ATOM 238 O CYS A 18 6.188 2.504 -0.849 1.00 0.00 O ATOM 239 CB CYS A 18 4.090 3.858 1.347 1.00 0.00 C ATOM 240 SG CYS A 18 3.607 2.126 1.215 1.00 0.00 S ATOM 0 H CYS A 18 4.843 4.083 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 18 5.867 4.950 1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.244 4.097 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.264 4.477 0.997 1.00 0.00 H new ATOM 245 N CYS A 19 7.149 2.647 1.163 1.00 0.00 N ATOM 246 CA CYS A 19 8.109 1.578 0.891 1.00 0.00 C ATOM 247 C CYS A 19 7.527 0.273 1.391 1.00 0.00 C ATOM 248 O CYS A 19 7.592 0.013 2.589 1.00 0.00 O ATOM 249 CB CYS A 19 9.450 1.892 1.550 1.00 0.00 C ATOM 250 SG CYS A 19 10.269 3.301 0.778 1.00 0.00 S ATOM 0 H CYS A 19 7.222 3.047 2.098 1.00 0.00 H new ATOM 0 HA CYS A 19 8.293 1.494 -0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.294 2.099 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 19 10.098 1.018 1.488 1.00 0.00 H new ATOM 255 N ALA A 20 6.947 -0.533 0.496 1.00 0.00 N ATOM 256 CA ALA A 20 6.267 -1.776 0.848 1.00 0.00 C ATOM 257 C ALA A 20 6.903 -2.970 0.149 1.00 0.00 C ATOM 258 O ALA A 20 7.802 -2.815 -0.676 1.00 0.00 O ATOM 259 CB ALA A 20 4.776 -1.676 0.514 1.00 0.00 C ATOM 0 H ALA A 20 6.938 -0.335 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 20 6.373 -1.931 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.280 -2.609 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.331 -0.855 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.654 -1.493 -0.554 1.00 0.00 H new ATOM 265 N VAL A 21 6.441 -4.171 0.500 1.00 0.00 N ATOM 266 CA VAL A 21 6.942 -5.410 -0.069 1.00 0.00 C ATOM 267 C VAL A 21 6.706 -5.407 -1.583 1.00 0.00 C ATOM 268 O VAL A 21 5.674 -4.933 -2.049 1.00 0.00 O ATOM 269 CB VAL A 21 6.267 -6.611 0.622 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.883 -7.929 0.151 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.398 -6.537 2.152 1.00 0.00 C ATOM 0 H VAL A 21 5.704 -4.306 1.192 1.00 0.00 H new ATOM 0 HA VAL A 21 8.015 -5.497 0.101 1.00 0.00 H new ATOM 0 HB VAL A 21 5.212 -6.572 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.390 -8.761 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.753 -8.027 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.946 -7.940 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.909 -7.402 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.453 -6.533 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.925 -5.624 2.514 1.00 0.00 H new ATOM 281 N SER A 22 7.652 -5.921 -2.370 1.00 0.00 N ATOM 282 CA SER A 22 7.495 -5.982 -3.806 1.00 0.00 C ATOM 283 C SER A 22 6.405 -6.995 -4.149 1.00 0.00 C ATOM 284 O SER A 22 6.275 -8.032 -3.502 1.00 0.00 O ATOM 285 CB SER A 22 8.836 -6.346 -4.438 1.00 0.00 C ATOM 286 OG SER A 22 9.803 -5.404 -4.045 1.00 0.00 O ATOM 0 H SER A 22 8.534 -6.300 -2.026 1.00 0.00 H new ATOM 0 HA SER A 22 7.188 -5.015 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.138 -7.346 -4.128 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.747 -6.362 -5.524 1.00 0.00 H new ATOM 0 HG SER A 22 10.558 -5.430 -4.669 1.00 0.00 H new ATOM 292 N LEU A 23 5.598 -6.697 -5.164 1.00 0.00 N ATOM 293 CA LEU A 23 4.497 -7.557 -5.588 1.00 0.00 C ATOM 294 C LEU A 23 5.002 -8.826 -6.285 1.00 0.00 C ATOM 295 O LEU A 23 4.228 -9.753 -6.504 1.00 0.00 O ATOM 296 CB LEU A 23 3.566 -6.742 -6.503 1.00 0.00 C ATOM 297 CG LEU A 23 2.643 -5.743 -5.770 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.639 -6.437 -4.842 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.381 -4.684 -4.946 1.00 0.00 C ATOM 0 H LEU A 23 5.690 -5.846 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 23 3.944 -7.893 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.176 -6.192 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.947 -7.433 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 23 2.124 -5.244 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.017 -5.687 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.008 -7.108 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.177 -7.010 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.656 -4.026 -4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.987 -5.173 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.026 -4.098 -5.601 1.00 0.00 H new ATOM 311 N TRP A 24 6.296 -8.872 -6.617 1.00 0.00 N ATOM 312 CA TRP A 24 6.908 -9.935 -7.401 1.00 0.00 C ATOM 313 C TRP A 24 7.636 -10.946 -6.512 1.00 0.00 C ATOM 314 O TRP A 24 7.446 -12.148 -6.680 1.00 0.00 O ATOM 315 CB TRP A 24 7.778 -9.273 -8.484 1.00 0.00 C ATOM 316 CG TRP A 24 7.182 -7.998 -9.027 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.794 -6.792 -9.047 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.795 -7.739 -9.414 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.884 -5.805 -9.368 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.627 -6.335 -9.574 1.00 0.00 C ATOM 321 CE3 TRP A 24 4.634 -8.533 -9.546 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.373 -5.759 -9.823 1.00 0.00 C ATOM 323 CZ3 TRP A 24 3.385 -7.970 -9.864 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.249 -6.580 -9.985 1.00 0.00 C ATOM 0 H TRP A 24 6.959 -8.149 -6.338 1.00 0.00 H new ATOM 0 HA TRP A 24 6.155 -10.541 -7.905 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.763 -9.058 -8.069 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.924 -9.976 -9.304 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.841 -6.626 -8.842 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.111 -4.813 -9.443 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.707 -9.600 -9.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.274 -4.686 -9.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.528 -8.610 -10.015 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.285 -6.145 -10.202 1.00 0.00 H new ATOM 335 N ILE A 25 8.454 -10.484 -5.558 1.00 0.00 N ATOM 336 CA ILE A 25 9.152 -11.316 -4.609 1.00 0.00 C ATOM 337 C ILE A 25 9.100 -10.669 -3.229 1.00 0.00 C ATOM 338 O ILE A 25 9.494 -9.515 -3.068 1.00 0.00 O ATOM 339 CB ILE A 25 10.611 -11.553 -5.026 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.522 -10.333 -5.285 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.691 -12.557 -6.177 1.00 0.00 C ATOM 342 CD1 ILE A 25 11.159 -9.413 -6.455 1.00 0.00 C ATOM 0 H ILE A 25 8.644 -9.490 -5.434 1.00 0.00 H new ATOM 0 HA ILE A 25 8.657 -12.287 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 25 11.045 -11.958 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.542 -9.730 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.536 -10.699 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.734 -12.709 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.257 -13.506 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.139 -12.172 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.883 -8.601 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.172 -9.983 -7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.163 -8.999 -6.297 1.00 0.00 H new ATOM 354 N LYS A 26 8.662 -11.433 -2.224 1.00 0.00 N ATOM 355 CA LYS A 26 8.635 -10.978 -0.841 1.00 0.00 C ATOM 356 C LYS A 26 10.042 -10.560 -0.392 1.00 0.00 C ATOM 357 O LYS A 26 10.197 -9.716 0.487 1.00 0.00 O ATOM 358 CB LYS A 26 8.056 -12.092 0.045 1.00 0.00 C ATOM 359 CG LYS A 26 7.851 -11.633 1.495 1.00 0.00 C ATOM 360 CD LYS A 26 7.131 -12.717 2.306 1.00 0.00 C ATOM 361 CE LYS A 26 6.960 -12.307 3.775 1.00 0.00 C ATOM 362 NZ LYS A 26 6.114 -11.108 3.922 1.00 0.00 N ATOM 0 H LYS A 26 8.317 -12.384 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 26 7.995 -10.101 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.103 -12.423 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.726 -12.951 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.815 -11.410 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.269 -10.711 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.153 -12.911 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.696 -13.648 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.517 -13.133 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.939 -12.115 4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.928 -10.936 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.604 -10.286 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.213 -11.256 3.424 1.00 0.00 H new ATOM 376 N SER A 27 11.070 -11.149 -1.012 1.00 0.00 N ATOM 377 CA SER A 27 12.469 -10.908 -0.720 1.00 0.00 C ATOM 378 C SER A 27 12.907 -9.448 -0.884 1.00 0.00 C ATOM 379 O SER A 27 13.943 -9.080 -0.336 1.00 0.00 O ATOM 380 CB SER A 27 13.282 -11.805 -1.657 1.00 0.00 C ATOM 381 OG SER A 27 12.638 -13.061 -1.786 1.00 0.00 O ATOM 0 H SER A 27 10.935 -11.831 -1.758 1.00 0.00 H new ATOM 0 HA SER A 27 12.639 -11.137 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.381 -11.333 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.290 -11.940 -1.265 1.00 0.00 H new ATOM 0 HG SER A 27 13.157 -13.635 -2.387 1.00 0.00 H new ATOM 387 N VAL A 28 12.179 -8.637 -1.662 1.00 0.00 N ATOM 388 CA VAL A 28 12.551 -7.254 -1.945 1.00 0.00 C ATOM 389 C VAL A 28 11.402 -6.326 -1.544 1.00 0.00 C ATOM 390 O VAL A 28 10.236 -6.706 -1.638 1.00 0.00 O ATOM 391 CB VAL A 28 12.902 -7.139 -3.442 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.297 -5.713 -3.834 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.072 -8.064 -3.810 1.00 0.00 C ATOM 0 H VAL A 28 11.312 -8.928 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 28 13.425 -6.955 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 28 12.001 -7.429 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.536 -5.681 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.468 -5.036 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.169 -5.405 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.297 -7.961 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.950 -7.790 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.800 -9.097 -3.595 1.00 0.00 H new ATOM 403 N ARG A 29 11.708 -5.091 -1.128 1.00 0.00 N ATOM 404 CA ARG A 29 10.730 -4.075 -0.748 1.00 0.00 C ATOM 405 C ARG A 29 11.047 -2.808 -1.557 1.00 0.00 C ATOM 406 O ARG A 29 12.223 -2.465 -1.687 1.00 0.00 O ATOM 407 CB ARG A 29 10.751 -3.860 0.775 1.00 0.00 C ATOM 408 CG ARG A 29 10.711 -5.190 1.558 1.00 0.00 C ATOM 409 CD ARG A 29 10.654 -5.035 3.086 1.00 0.00 C ATOM 410 NE ARG A 29 9.498 -4.244 3.535 1.00 0.00 N ATOM 411 CZ ARG A 29 9.460 -2.913 3.646 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.567 -2.170 3.573 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.280 -2.326 3.824 1.00 0.00 N ATOM 0 H ARG A 29 12.671 -4.766 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 29 9.711 -4.383 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.650 -3.307 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.898 -3.246 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.842 -5.762 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.593 -5.775 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.614 -6.022 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.571 -4.559 3.433 1.00 0.00 H new ATOM 0 HE ARG A 29 8.652 -4.756 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.473 -2.617 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.507 -1.156 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.432 -2.890 3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.223 -1.311 3.912 1.00 0.00 H new ATOM 427 N VAL A 30 10.037 -2.162 -2.160 1.00 0.00 N ATOM 428 CA VAL A 30 10.217 -1.041 -3.083 1.00 0.00 C ATOM 429 C VAL A 30 9.179 0.075 -2.910 1.00 0.00 C ATOM 430 O VAL A 30 8.151 -0.090 -2.241 1.00 0.00 O ATOM 431 CB VAL A 30 10.144 -1.539 -4.545 1.00 0.00 C ATOM 432 CG1 VAL A 30 11.256 -2.526 -4.902 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.785 -2.183 -4.856 1.00 0.00 C ATOM 0 H VAL A 30 9.059 -2.411 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 30 11.197 -0.624 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 30 10.277 -0.647 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.147 -2.836 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.225 -2.047 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.189 -3.400 -4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.771 -2.521 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.626 -3.035 -4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.992 -1.451 -4.702 1.00 0.00 H new ATOM 443 N CYS A 31 9.455 1.201 -3.585 1.00 0.00 N ATOM 444 CA CYS A 31 8.573 2.357 -3.697 1.00 0.00 C ATOM 445 C CYS A 31 7.257 1.899 -4.322 1.00 0.00 C ATOM 446 O CYS A 31 7.152 1.756 -5.539 1.00 0.00 O ATOM 447 CB CYS A 31 9.154 3.442 -4.618 1.00 0.00 C ATOM 448 SG CYS A 31 10.715 4.244 -4.202 1.00 0.00 S ATOM 0 H CYS A 31 10.335 1.329 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 31 8.443 2.772 -2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.272 2.998 -5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.402 4.226 -4.709 1.00 0.00 H new ATOM 453 N THR A 32 6.252 1.670 -3.492 1.00 0.00 N ATOM 454 CA THR A 32 4.923 1.263 -3.902 1.00 0.00 C ATOM 455 C THR A 32 4.065 2.535 -3.873 1.00 0.00 C ATOM 456 O THR A 32 4.229 3.338 -2.956 1.00 0.00 O ATOM 457 CB THR A 32 4.476 0.168 -2.926 1.00 0.00 C ATOM 458 OG1 THR A 32 5.441 -0.871 -2.949 1.00 0.00 O ATOM 459 CG2 THR A 32 3.101 -0.422 -3.250 1.00 0.00 C ATOM 0 H THR A 32 6.345 1.766 -2.481 1.00 0.00 H new ATOM 0 HA THR A 32 4.852 0.840 -4.904 1.00 0.00 H new ATOM 0 HB THR A 32 4.392 0.628 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.276 -0.551 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.853 -1.190 -2.517 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.350 0.367 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.120 -0.864 -4.246 1.00 0.00 H new ATOM 467 N PRO A 33 3.213 2.799 -4.875 1.00 0.00 N ATOM 468 CA PRO A 33 2.412 4.014 -4.907 1.00 0.00 C ATOM 469 C PRO A 33 1.345 3.995 -3.815 1.00 0.00 C ATOM 470 O PRO A 33 0.938 2.922 -3.368 1.00 0.00 O ATOM 471 CB PRO A 33 1.777 4.041 -6.301 1.00 0.00 C ATOM 472 CG PRO A 33 1.672 2.559 -6.662 1.00 0.00 C ATOM 473 CD PRO A 33 2.933 1.967 -6.033 1.00 0.00 C ATOM 0 HA PRO A 33 3.015 4.903 -4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.800 4.523 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.394 4.587 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.767 2.107 -6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.648 2.406 -7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.777 0.928 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.766 1.979 -6.736 1.00 0.00 H new ATOM 481 N VAL A 34 0.892 5.177 -3.376 1.00 0.00 N ATOM 482 CA VAL A 34 -0.247 5.241 -2.461 1.00 0.00 C ATOM 483 C VAL A 34 -1.430 4.529 -3.129 1.00 0.00 C ATOM 484 O VAL A 34 -1.589 4.569 -4.354 1.00 0.00 O ATOM 485 CB VAL A 34 -0.636 6.678 -2.068 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.092 7.157 -0.810 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.400 7.669 -3.205 1.00 0.00 C ATOM 0 H VAL A 34 1.288 6.081 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 34 0.036 4.750 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.704 6.643 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.218 8.176 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.155 6.502 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.168 7.135 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.689 8.669 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.656 7.666 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.998 7.380 -4.069 1.00 0.00 H new ATOM 497 N GLY A 35 -2.266 3.879 -2.322 1.00 0.00 N ATOM 498 CA GLY A 35 -3.344 3.074 -2.865 1.00 0.00 C ATOM 499 C GLY A 35 -4.287 3.911 -3.722 1.00 0.00 C ATOM 500 O GLY A 35 -4.863 4.892 -3.263 1.00 0.00 O ATOM 0 H GLY A 35 -2.215 3.896 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.929 2.264 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.903 2.614 -2.050 1.00 0.00 H new ATOM 504 N THR A 36 -4.446 3.520 -4.973 1.00 0.00 N ATOM 505 CA THR A 36 -5.213 4.244 -5.972 1.00 0.00 C ATOM 506 C THR A 36 -6.461 3.431 -6.329 1.00 0.00 C ATOM 507 O THR A 36 -6.503 2.226 -6.090 1.00 0.00 O ATOM 508 CB THR A 36 -4.274 4.513 -7.159 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.129 5.210 -6.694 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.921 5.367 -8.253 1.00 0.00 C ATOM 0 H THR A 36 -4.031 2.661 -5.334 1.00 0.00 H new ATOM 0 HA THR A 36 -5.578 5.207 -5.614 1.00 0.00 H new ATOM 0 HB THR A 36 -4.023 3.543 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.704 4.698 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.208 5.522 -9.063 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.804 4.857 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.212 6.331 -7.837 1.00 0.00 H new ATOM 518 N SER A 37 -7.481 4.098 -6.872 1.00 0.00 N ATOM 519 CA SER A 37 -8.772 3.568 -7.281 1.00 0.00 C ATOM 520 C SER A 37 -8.751 2.100 -7.720 1.00 0.00 C ATOM 521 O SER A 37 -8.229 1.782 -8.787 1.00 0.00 O ATOM 522 CB SER A 37 -9.275 4.470 -8.413 1.00 0.00 C ATOM 523 OG SER A 37 -8.959 5.820 -8.104 1.00 0.00 O ATOM 0 H SER A 37 -7.415 5.100 -7.049 1.00 0.00 H new ATOM 0 HA SER A 37 -9.437 3.574 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.813 4.182 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.352 4.354 -8.536 1.00 0.00 H new ATOM 0 HG SER A 37 -9.276 6.403 -8.825 1.00 0.00 H new ATOM 529 N GLY A 38 -9.326 1.211 -6.906 1.00 0.00 N ATOM 530 CA GLY A 38 -9.462 -0.202 -7.228 1.00 0.00 C ATOM 531 C GLY A 38 -8.303 -1.075 -6.748 1.00 0.00 C ATOM 532 O GLY A 38 -8.468 -2.290 -6.661 1.00 0.00 O ATOM 0 H GLY A 38 -9.713 1.460 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.387 -0.575 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.557 -0.308 -8.309 1.00 0.00 H new ATOM 536 N GLU A 39 -7.134 -0.505 -6.441 1.00 0.00 N ATOM 537 CA GLU A 39 -6.012 -1.304 -5.967 1.00 0.00 C ATOM 538 C GLU A 39 -6.349 -1.925 -4.611 1.00 0.00 C ATOM 539 O GLU A 39 -7.014 -1.295 -3.785 1.00 0.00 O ATOM 540 CB GLU A 39 -4.746 -0.450 -5.850 1.00 0.00 C ATOM 541 CG GLU A 39 -4.274 0.069 -7.215 1.00 0.00 C ATOM 542 CD GLU A 39 -2.971 0.853 -7.100 1.00 0.00 C ATOM 543 OE1 GLU A 39 -2.831 1.577 -6.090 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.142 0.723 -8.025 1.00 0.00 O ATOM 0 H GLU A 39 -6.946 0.495 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.826 -2.098 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.938 0.394 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.952 -1.040 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.135 -0.771 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.045 0.706 -7.649 1.00 0.00 H new ATOM 551 N ASP A 40 -5.889 -3.160 -4.389 1.00 0.00 N ATOM 552 CA ASP A 40 -6.075 -3.859 -3.130 1.00 0.00 C ATOM 553 C ASP A 40 -5.327 -3.121 -2.022 1.00 0.00 C ATOM 554 O ASP A 40 -4.301 -2.489 -2.276 1.00 0.00 O ATOM 555 CB ASP A 40 -5.596 -5.309 -3.246 1.00 0.00 C ATOM 556 CG ASP A 40 -6.563 -6.146 -4.074 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.382 -6.168 -5.310 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.478 -6.735 -3.457 1.00 0.00 O ATOM 0 H ASP A 40 -5.375 -3.699 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.136 -3.879 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.607 -5.332 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.497 -5.742 -2.251 1.00 0.00 H new ATOM 563 N CYS A 41 -5.833 -3.208 -0.792 1.00 0.00 N ATOM 564 CA CYS A 41 -5.269 -2.512 0.354 1.00 0.00 C ATOM 565 C CYS A 41 -5.503 -3.306 1.628 1.00 0.00 C ATOM 566 O CYS A 41 -6.466 -4.062 1.733 1.00 0.00 O ATOM 567 CB CYS A 41 -5.917 -1.132 0.483 1.00 0.00 C ATOM 568 SG CYS A 41 -7.707 -1.191 0.736 1.00 0.00 S ATOM 0 H CYS A 41 -6.654 -3.770 -0.566 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.195 -2.402 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.458 -0.601 1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.705 -0.555 -0.417 1.00 0.00 H new ATOM 573 N HIS A 42 -4.630 -3.103 2.614 1.00 0.00 N ATOM 574 CA HIS A 42 -4.728 -3.720 3.922 1.00 0.00 C ATOM 575 C HIS A 42 -5.371 -2.671 4.827 1.00 0.00 C ATOM 576 O HIS A 42 -4.873 -1.542 4.868 1.00 0.00 O ATOM 577 CB HIS A 42 -3.321 -4.071 4.421 1.00 0.00 C ATOM 578 CG HIS A 42 -3.304 -4.873 5.693 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.045 -4.521 6.821 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.634 -6.033 5.952 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.814 -5.504 7.697 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.965 -6.431 7.228 1.00 0.00 N ATOM 0 H HIS A 42 -3.820 -2.491 2.516 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.314 -4.639 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.801 -4.631 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.762 -3.149 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.965 -6.547 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.263 -5.547 8.678 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.632 -7.262 7.717 1.00 0.00 H new ATOM 590 N PRO A 43 -6.459 -2.992 5.544 1.00 0.00 N ATOM 591 CA PRO A 43 -7.144 -2.027 6.389 1.00 0.00 C ATOM 592 C PRO A 43 -6.215 -1.382 7.421 1.00 0.00 C ATOM 593 O PRO A 43 -6.462 -0.252 7.831 1.00 0.00 O ATOM 594 CB PRO A 43 -8.311 -2.783 7.030 1.00 0.00 C ATOM 595 CG PRO A 43 -7.896 -4.251 6.947 1.00 0.00 C ATOM 596 CD PRO A 43 -7.060 -4.311 5.670 1.00 0.00 C ATOM 0 HA PRO A 43 -7.506 -1.183 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.469 -2.471 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.244 -2.602 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.319 -4.555 7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.762 -4.911 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.297 -5.087 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.680 -4.545 4.805 1.00 0.00 H new ATOM 604 N ALA A 44 -5.146 -2.075 7.831 1.00 0.00 N ATOM 605 CA ALA A 44 -4.186 -1.564 8.797 1.00 0.00 C ATOM 606 C ALA A 44 -2.911 -1.026 8.133 1.00 0.00 C ATOM 607 O ALA A 44 -1.911 -0.875 8.832 1.00 0.00 O ATOM 608 CB ALA A 44 -3.864 -2.667 9.809 1.00 0.00 C ATOM 0 H ALA A 44 -4.928 -3.013 7.495 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.635 -0.714 9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.145 -2.293 10.538 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.777 -2.968 10.322 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.440 -3.526 9.289 1.00 0.00 H new ATOM 614 N SER A 45 -2.919 -0.736 6.820 1.00 0.00 N ATOM 615 CA SER A 45 -1.773 -0.165 6.125 1.00 0.00 C ATOM 616 C SER A 45 -1.235 1.029 6.919 1.00 0.00 C ATOM 617 O SER A 45 -1.921 2.045 7.017 1.00 0.00 O ATOM 618 CB SER A 45 -2.202 0.325 4.737 1.00 0.00 C ATOM 619 OG SER A 45 -2.452 -0.742 3.840 1.00 0.00 O ATOM 0 H SER A 45 -3.727 -0.895 6.218 1.00 0.00 H new ATOM 0 HA SER A 45 -1.001 -0.928 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.101 0.934 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.424 0.967 4.325 1.00 0.00 H new ATOM 0 HG SER A 45 -3.329 -1.133 4.034 1.00 0.00 H new ATOM 625 N HIS A 46 -0.015 0.925 7.462 1.00 0.00 N ATOM 626 CA HIS A 46 0.573 1.985 8.276 1.00 0.00 C ATOM 627 C HIS A 46 0.539 3.314 7.532 1.00 0.00 C ATOM 628 O HIS A 46 0.721 3.320 6.311 1.00 0.00 O ATOM 629 CB HIS A 46 2.026 1.662 8.646 1.00 0.00 C ATOM 630 CG HIS A 46 2.247 0.228 9.022 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.458 -0.748 8.047 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.181 -0.362 10.252 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.548 -1.889 8.738 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.387 -1.713 10.060 1.00 0.00 N ATOM 0 H HIS A 46 0.585 0.108 7.348 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.019 2.058 9.188 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.670 1.911 7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.330 2.298 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.002 0.134 11.195 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.731 -2.851 8.282 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.412 -2.435 10.780 1.00 0.00 H new ATOM 642 N LYS A 47 0.370 4.421 8.263 1.00 0.00 N ATOM 643 CA LYS A 47 0.317 5.758 7.689 1.00 0.00 C ATOM 644 C LYS A 47 1.649 6.103 7.007 1.00 0.00 C ATOM 645 O LYS A 47 2.545 5.267 6.941 1.00 0.00 O ATOM 646 CB LYS A 47 -0.125 6.771 8.766 1.00 0.00 C ATOM 647 CG LYS A 47 0.660 6.743 10.088 1.00 0.00 C ATOM 648 CD LYS A 47 2.169 6.892 9.875 1.00 0.00 C ATOM 649 CE LYS A 47 2.909 7.063 11.204 1.00 0.00 C ATOM 650 NZ LYS A 47 4.369 6.980 11.015 1.00 0.00 N ATOM 0 H LYS A 47 0.266 4.408 9.278 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.434 5.803 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.050 7.773 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.178 6.597 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.306 7.546 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.460 5.805 10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.552 6.015 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.364 7.753 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.651 8.025 11.646 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.586 6.293 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.847 7.538 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.672 5.987 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.620 7.356 10.078 1.00 0.00 H new ATOM 664 N ILE A 48 1.804 7.330 6.519 1.00 0.00 N ATOM 665 CA ILE A 48 3.005 7.804 5.843 1.00 0.00 C ATOM 666 C ILE A 48 3.435 9.078 6.576 1.00 0.00 C ATOM 667 O ILE A 48 2.559 9.862 6.941 1.00 0.00 O ATOM 668 CB ILE A 48 2.686 8.073 4.355 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.256 6.765 3.665 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.882 8.684 3.605 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.843 6.970 2.206 1.00 0.00 C ATOM 0 H ILE A 48 1.076 8.042 6.585 1.00 0.00 H new ATOM 0 HA ILE A 48 3.812 7.071 5.865 1.00 0.00 H new ATOM 0 HB ILE A 48 1.872 8.797 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.078 6.050 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.423 6.327 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.610 8.855 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.157 9.632 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.729 7.999 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.550 6.014 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.002 7.662 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.682 7.381 1.645 1.00 0.00 H new ATOM 683 N PRO A 49 4.737 9.314 6.801 1.00 0.00 N ATOM 684 CA PRO A 49 5.845 8.415 6.523 1.00 0.00 C ATOM 685 C PRO A 49 5.980 7.375 7.640 1.00 0.00 C ATOM 686 O PRO A 49 5.982 7.728 8.818 1.00 0.00 O ATOM 687 CB PRO A 49 7.078 9.322 6.476 1.00 0.00 C ATOM 688 CG PRO A 49 6.738 10.434 7.470 1.00 0.00 C ATOM 689 CD PRO A 49 5.220 10.578 7.334 1.00 0.00 C ATOM 0 HA PRO A 49 5.708 7.860 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.982 8.786 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.249 9.717 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.027 10.167 8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.253 11.363 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.762 10.794 8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.966 11.403 6.669 1.00 0.00 H new ATOM 697 N PHE A 50 6.121 6.097 7.282 1.00 0.00 N ATOM 698 CA PHE A 50 6.341 5.021 8.233 1.00 0.00 C ATOM 699 C PHE A 50 7.840 4.738 8.252 1.00 0.00 C ATOM 700 O PHE A 50 8.374 4.069 7.366 1.00 0.00 O ATOM 701 CB PHE A 50 5.543 3.776 7.827 1.00 0.00 C ATOM 702 CG PHE A 50 5.601 2.650 8.841 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.965 2.794 10.089 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.309 1.470 8.551 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.024 1.756 11.035 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.375 0.436 9.501 1.00 0.00 C ATOM 707 CZ PHE A 50 5.726 0.575 10.739 1.00 0.00 C ATOM 0 H PHE A 50 6.084 5.783 6.312 1.00 0.00 H new ATOM 0 HA PHE A 50 6.000 5.303 9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.502 4.059 7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.920 3.411 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.431 3.704 10.320 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.803 1.358 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.530 1.866 11.989 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.925 -0.466 9.279 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.766 -0.225 11.463 1.00 0.00 H new ATOM 717 N SER A 51 8.526 5.281 9.260 1.00 0.00 N ATOM 718 CA SER A 51 9.961 5.143 9.460 1.00 0.00 C ATOM 719 C SER A 51 10.342 3.735 9.931 1.00 0.00 C ATOM 720 O SER A 51 10.985 3.581 10.967 1.00 0.00 O ATOM 721 CB SER A 51 10.406 6.209 10.468 1.00 0.00 C ATOM 722 OG SER A 51 9.850 7.460 10.106 1.00 0.00 O ATOM 0 H SER A 51 8.078 5.847 9.981 1.00 0.00 H new ATOM 0 HA SER A 51 10.474 5.291 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.084 5.933 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.494 6.274 10.488 1.00 0.00 H new ATOM 0 HG SER A 51 10.132 8.142 10.750 1.00 0.00 H new ATOM 728 N GLY A 52 9.964 2.709 9.171 1.00 0.00 N ATOM 729 CA GLY A 52 10.248 1.318 9.463 1.00 0.00 C ATOM 730 C GLY A 52 9.834 0.490 8.253 1.00 0.00 C ATOM 731 O GLY A 52 9.246 1.025 7.315 1.00 0.00 O ATOM 0 H GLY A 52 9.435 2.834 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.309 1.181 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.703 0.996 10.350 1.00 0.00 H new ATOM 735 N GLN A 53 10.148 -0.805 8.257 1.00 0.00 N ATOM 736 CA GLN A 53 9.762 -1.687 7.169 1.00 0.00 C ATOM 737 C GLN A 53 8.329 -2.151 7.412 1.00 0.00 C ATOM 738 O GLN A 53 8.063 -2.923 8.332 1.00 0.00 O ATOM 739 CB GLN A 53 10.756 -2.846 7.040 1.00 0.00 C ATOM 740 CG GLN A 53 12.146 -2.297 6.682 1.00 0.00 C ATOM 741 CD GLN A 53 12.925 -3.261 5.798 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.061 -3.031 4.600 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.428 -4.351 6.368 1.00 0.00 N ATOM 0 H GLN A 53 10.669 -1.262 9.005 1.00 0.00 H new ATOM 0 HA GLN A 53 9.791 -1.162 6.214 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.804 -3.403 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.420 -3.542 6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.038 -1.341 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.708 -2.107 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.296 -4.511 7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.946 -5.027 5.807 1.00 0.00 H new ATOM 752 N ARG A 54 7.393 -1.635 6.615 1.00 0.00 N ATOM 753 CA ARG A 54 5.990 -1.997 6.701 1.00 0.00 C ATOM 754 C ARG A 54 5.853 -3.403 6.119 1.00 0.00 C ATOM 755 O ARG A 54 6.025 -3.607 4.919 1.00 0.00 O ATOM 756 CB ARG A 54 5.078 -0.962 6.009 1.00 0.00 C ATOM 757 CG ARG A 54 5.640 -0.462 4.677 1.00 0.00 C ATOM 758 CD ARG A 54 4.664 0.358 3.836 1.00 0.00 C ATOM 759 NE ARG A 54 4.494 1.729 4.342 1.00 0.00 N ATOM 760 CZ ARG A 54 3.370 2.203 4.898 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.373 1.387 5.246 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.233 3.504 5.114 1.00 0.00 N ATOM 0 H ARG A 54 7.595 -0.949 5.888 1.00 0.00 H new ATOM 0 HA ARG A 54 5.656 -1.997 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.098 -1.407 5.839 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.931 -0.113 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.524 0.144 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.968 -1.321 4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.020 0.396 2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.696 -0.142 3.820 1.00 0.00 H new ATOM 0 HE ARG A 54 5.288 2.364 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.458 0.383 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.526 1.768 5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.983 4.145 4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.377 3.863 5.537 1.00 0.00 H new ATOM 776 N MET A 55 5.581 -4.380 6.984 1.00 0.00 N ATOM 777 CA MET A 55 5.407 -5.764 6.570 1.00 0.00 C ATOM 778 C MET A 55 4.178 -5.894 5.665 1.00 0.00 C ATOM 779 O MET A 55 4.121 -6.783 4.818 1.00 0.00 O ATOM 780 CB MET A 55 5.309 -6.668 7.807 1.00 0.00 C ATOM 781 CG MET A 55 6.563 -6.576 8.690 1.00 0.00 C ATOM 782 SD MET A 55 8.128 -6.996 7.876 1.00 0.00 S ATOM 783 CE MET A 55 9.292 -6.389 9.116 1.00 0.00 C ATOM 0 H MET A 55 5.476 -4.231 7.988 1.00 0.00 H new ATOM 0 HA MET A 55 6.273 -6.086 5.991 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.433 -6.388 8.392 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.164 -7.701 7.490 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.638 -5.561 9.079 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.431 -7.237 9.547 1.00 0.00 H new ATOM 0 HE1 MET A 55 10.312 -6.568 8.776 1.00 0.00 H new ATOM 0 HE2 MET A 55 9.141 -5.320 9.264 1.00 0.00 H new ATOM 0 HE3 MET A 55 9.126 -6.913 10.058 1.00 0.00 H new ATOM 793 N HIS A 56 3.186 -5.015 5.850 1.00 0.00 N ATOM 794 CA HIS A 56 2.003 -4.994 5.008 1.00 0.00 C ATOM 795 C HIS A 56 2.420 -4.708 3.567 1.00 0.00 C ATOM 796 O HIS A 56 3.174 -3.777 3.291 1.00 0.00 O ATOM 797 CB HIS A 56 0.988 -3.959 5.500 1.00 0.00 C ATOM 798 CG HIS A 56 0.436 -4.240 6.872 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.185 -3.237 7.607 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.448 -5.392 7.617 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.520 -3.813 8.762 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.161 -5.105 8.820 1.00 0.00 N ATOM 0 H HIS A 56 3.188 -4.307 6.584 1.00 0.00 H new ATOM 0 HA HIS A 56 1.516 -5.968 5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.461 -2.977 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.162 -3.911 4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.858 -6.345 7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.026 -3.296 9.564 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.309 -5.747 9.599 1.00 0.00 H new ATOM 810 N HIS A 57 1.909 -5.529 2.654 1.00 0.00 N ATOM 811 CA HIS A 57 2.212 -5.465 1.236 1.00 0.00 C ATOM 812 C HIS A 57 1.776 -4.151 0.602 1.00 0.00 C ATOM 813 O HIS A 57 2.385 -3.684 -0.357 1.00 0.00 O ATOM 814 CB HIS A 57 1.498 -6.631 0.539 1.00 0.00 C ATOM 815 CG HIS A 57 2.314 -7.243 -0.558 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.334 -8.623 -0.725 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.165 -6.668 -1.465 1.00 0.00 C ATOM 818 CE1 HIS A 57 3.236 -8.824 -1.681 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.821 -7.697 -2.100 1.00 0.00 N ATOM 0 H HIS A 57 1.256 -6.276 2.891 1.00 0.00 H new ATOM 0 HA HIS A 57 3.293 -5.532 1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.258 -7.397 1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.553 -6.278 0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.295 -5.611 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.472 -9.800 -2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.597 -7.617 -2.757 1.00 0.00 H new ATOM 827 N THR A 58 0.689 -3.580 1.113 1.00 0.00 N ATOM 828 CA THR A 58 0.046 -2.437 0.509 1.00 0.00 C ATOM 829 C THR A 58 0.404 -1.127 1.201 1.00 0.00 C ATOM 830 O THR A 58 0.833 -1.102 2.355 1.00 0.00 O ATOM 831 CB THR A 58 -1.465 -2.709 0.518 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.989 -2.696 1.839 1.00 0.00 O ATOM 833 CG2 THR A 58 -1.735 -4.105 -0.082 1.00 0.00 C ATOM 0 H THR A 58 0.233 -3.907 1.965 1.00 0.00 H new ATOM 0 HA THR A 58 0.400 -2.310 -0.514 1.00 0.00 H new ATOM 0 HB THR A 58 -1.946 -1.925 -0.066 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.015 -1.775 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.807 -4.302 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.364 -4.139 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.225 -4.862 0.513 1.00 0.00 H new ATOM 841 N CYS A 59 0.183 -0.027 0.484 1.00 0.00 N ATOM 842 CA CYS A 59 0.324 1.320 1.005 1.00 0.00 C ATOM 843 C CYS A 59 -1.081 1.781 1.357 1.00 0.00 C ATOM 844 O CYS A 59 -2.047 1.262 0.793 1.00 0.00 O ATOM 845 CB CYS A 59 0.863 2.265 -0.073 1.00 0.00 C ATOM 846 SG CYS A 59 2.573 2.028 -0.573 1.00 0.00 S ATOM 0 H CYS A 59 -0.105 -0.054 -0.494 1.00 0.00 H new ATOM 0 HA CYS A 59 1.008 1.328 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.233 2.167 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.752 3.288 0.285 1.00 0.00 H new ATOM 851 N PRO A 60 -1.229 2.744 2.274 1.00 0.00 N ATOM 852 CA PRO A 60 -2.537 3.279 2.568 1.00 0.00 C ATOM 853 C PRO A 60 -3.018 4.009 1.313 1.00 0.00 C ATOM 854 O PRO A 60 -2.216 4.426 0.471 1.00 0.00 O ATOM 855 CB PRO A 60 -2.357 4.191 3.780 1.00 0.00 C ATOM 856 CG PRO A 60 -0.892 4.614 3.697 1.00 0.00 C ATOM 857 CD PRO A 60 -0.186 3.460 2.985 1.00 0.00 C ATOM 0 HA PRO A 60 -3.291 2.531 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.026 5.051 3.737 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.571 3.667 4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.781 5.546 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.473 4.781 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.574 3.830 2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.319 2.810 3.699 1.00 0.00 H new ATOM 865 N CYS A 61 -4.333 4.114 1.155 1.00 0.00 N ATOM 866 CA CYS A 61 -4.904 4.733 -0.027 1.00 0.00 C ATOM 867 C CYS A 61 -4.539 6.215 -0.083 1.00 0.00 C ATOM 868 O CYS A 61 -4.306 6.850 0.945 1.00 0.00 O ATOM 869 CB CYS A 61 -6.428 4.579 -0.029 1.00 0.00 C ATOM 870 SG CYS A 61 -7.053 2.894 0.134 1.00 0.00 S ATOM 0 H CYS A 61 -5.019 3.778 1.831 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.494 4.232 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.835 5.177 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.815 5.001 -0.957 1.00 0.00 H new ATOM 875 N ALA A 62 -4.495 6.767 -1.295 1.00 0.00 N ATOM 876 CA ALA A 62 -4.287 8.181 -1.528 1.00 0.00 C ATOM 877 C ALA A 62 -5.407 8.903 -0.768 1.00 0.00 C ATOM 878 O ALA A 62 -6.553 8.489 -0.921 1.00 0.00 O ATOM 879 CB ALA A 62 -4.362 8.442 -3.036 1.00 0.00 C ATOM 0 H ALA A 62 -4.606 6.227 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.315 8.534 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.207 9.503 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.590 7.864 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.342 8.144 -3.408 1.00 0.00 H new ATOM 885 N PRO A 63 -5.110 9.948 0.024 1.00 0.00 N ATOM 886 CA PRO A 63 -6.052 10.664 0.886 1.00 0.00 C ATOM 887 C PRO A 63 -7.508 10.791 0.415 1.00 0.00 C ATOM 888 O PRO A 63 -8.421 10.698 1.230 1.00 0.00 O ATOM 889 CB PRO A 63 -5.401 12.025 1.129 1.00 0.00 C ATOM 890 CG PRO A 63 -3.919 11.657 1.192 1.00 0.00 C ATOM 891 CD PRO A 63 -3.785 10.543 0.150 1.00 0.00 C ATOM 0 HA PRO A 63 -6.201 10.071 1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.613 12.729 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.748 12.484 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.283 12.509 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.632 11.314 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.444 10.942 -0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.052 9.800 0.465 1.00 0.00 H new ATOM 899 N ASN A 64 -7.742 11.044 -0.876 1.00 0.00 N ATOM 900 CA ASN A 64 -9.091 11.170 -1.424 1.00 0.00 C ATOM 901 C ASN A 64 -9.916 9.882 -1.270 1.00 0.00 C ATOM 902 O ASN A 64 -11.132 9.944 -1.101 1.00 0.00 O ATOM 903 CB ASN A 64 -8.994 11.586 -2.896 1.00 0.00 C ATOM 904 CG ASN A 64 -10.364 11.611 -3.570 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.128 12.553 -3.397 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.678 10.591 -4.365 1.00 0.00 N ATOM 0 H ASN A 64 -7.002 11.167 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.618 11.935 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.537 12.573 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.340 10.894 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.575 10.580 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.021 9.821 -4.490 1.00 0.00 H new ATOM 913 N LEU A 65 -9.276 8.716 -1.379 1.00 0.00 N ATOM 914 CA LEU A 65 -9.874 7.407 -1.298 1.00 0.00 C ATOM 915 C LEU A 65 -9.658 6.792 0.087 1.00 0.00 C ATOM 916 O LEU A 65 -8.810 7.248 0.852 1.00 0.00 O ATOM 917 CB LEU A 65 -9.201 6.547 -2.370 1.00 0.00 C ATOM 918 CG LEU A 65 -9.422 7.076 -3.796 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.171 7.793 -4.317 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.742 5.914 -4.737 1.00 0.00 C ATOM 0 H LEU A 65 -8.269 8.672 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.951 7.467 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.131 6.499 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.584 5.529 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.253 7.781 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.355 8.157 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.936 8.634 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.332 7.098 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.898 6.295 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.911 5.209 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.646 5.409 -4.397 1.00 0.00 H new ATOM 932 N ALA A 66 -10.408 5.731 0.395 1.00 0.00 N ATOM 933 CA ALA A 66 -10.336 4.993 1.646 1.00 0.00 C ATOM 934 C ALA A 66 -10.277 3.495 1.347 1.00 0.00 C ATOM 935 O ALA A 66 -10.746 3.038 0.304 1.00 0.00 O ATOM 936 CB ALA A 66 -11.542 5.338 2.522 1.00 0.00 C ATOM 0 H ALA A 66 -11.105 5.354 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.434 5.272 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.483 4.782 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.544 6.407 2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.460 5.071 1.999 1.00 0.00 H new ATOM 942 N CYS A 67 -9.665 2.734 2.260 1.00 0.00 N ATOM 943 CA CYS A 67 -9.511 1.291 2.133 1.00 0.00 C ATOM 944 C CYS A 67 -10.768 0.612 2.668 1.00 0.00 C ATOM 945 O CYS A 67 -10.951 0.566 3.884 1.00 0.00 O ATOM 946 CB CYS A 67 -8.273 0.831 2.913 1.00 0.00 C ATOM 947 SG CYS A 67 -7.996 -0.945 2.776 1.00 0.00 S ATOM 0 H CYS A 67 -9.260 3.112 3.116 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.375 1.019 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.396 1.362 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.389 1.098 3.963 1.00 0.00 H new ATOM 952 N VAL A 68 -11.637 0.098 1.789 1.00 0.00 N ATOM 953 CA VAL A 68 -12.909 -0.501 2.189 1.00 0.00 C ATOM 954 C VAL A 68 -13.057 -1.891 1.574 1.00 0.00 C ATOM 955 O VAL A 68 -12.486 -2.190 0.525 1.00 0.00 O ATOM 956 CB VAL A 68 -14.077 0.424 1.798 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.415 -0.049 2.386 1.00 0.00 C ATOM 958 CG2 VAL A 68 -13.834 1.863 2.274 1.00 0.00 C ATOM 0 H VAL A 68 -11.475 0.087 0.782 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.926 -0.618 3.273 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.129 0.391 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.208 0.635 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.640 -1.051 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.348 -0.067 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.677 2.490 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.732 1.875 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.921 2.247 1.819 1.00 0.00 H new ATOM 968 N GLN A 69 -13.810 -2.757 2.254 1.00 0.00 N ATOM 969 CA GLN A 69 -14.071 -4.111 1.808 1.00 0.00 C ATOM 970 C GLN A 69 -15.087 -4.102 0.670 1.00 0.00 C ATOM 971 O GLN A 69 -16.058 -3.350 0.699 1.00 0.00 O ATOM 972 CB GLN A 69 -14.366 -5.010 3.017 1.00 0.00 C ATOM 973 CG GLN A 69 -15.747 -4.842 3.662 1.00 0.00 C ATOM 974 CD GLN A 69 -16.873 -5.356 2.775 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.578 -6.332 1.921 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.982 -4.838 2.810 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.258 -2.527 3.141 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.192 -4.571 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.257 -6.049 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.607 -4.823 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.767 -5.374 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.915 -3.788 3.883 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.175 -4.091 3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.712 -5.153 2.172 1.00 0.00 H new ATOM 985 N THR A 70 -14.832 -4.938 -0.335 1.00 0.00 N ATOM 986 CA THR A 70 -15.729 -5.168 -1.454 1.00 0.00 C ATOM 987 C THR A 70 -16.449 -6.461 -1.091 1.00 0.00 C ATOM 988 O THR A 70 -17.634 -6.467 -0.768 1.00 0.00 O ATOM 989 CB THR A 70 -14.922 -5.282 -2.757 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.883 -6.240 -2.645 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.312 -3.928 -3.129 1.00 0.00 C ATOM 0 H THR A 70 -13.973 -5.485 -0.390 1.00 0.00 H new ATOM 0 HA THR A 70 -16.439 -4.358 -1.624 1.00 0.00 H new ATOM 0 HB THR A 70 -15.613 -5.604 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.317 -6.020 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.744 -4.027 -4.054 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.108 -3.196 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.649 -3.596 -2.330 1.00 0.00 H new ATOM 999 N SER A 71 -15.670 -7.536 -1.013 1.00 0.00 N ATOM 1000 CA SER A 71 -16.080 -8.849 -0.543 1.00 0.00 C ATOM 1001 C SER A 71 -15.392 -9.047 0.813 1.00 0.00 C ATOM 1002 O SER A 71 -14.547 -8.228 1.188 1.00 0.00 O ATOM 1003 CB SER A 71 -15.638 -9.915 -1.556 1.00 0.00 C ATOM 1004 OG SER A 71 -15.719 -9.432 -2.885 1.00 0.00 O ATOM 0 H SER A 71 -14.689 -7.510 -1.290 1.00 0.00 H new ATOM 0 HA SER A 71 -17.162 -8.934 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.614 -10.221 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.264 -10.801 -1.451 1.00 0.00 H new ATOM 0 HG SER A 71 -15.430 -10.133 -3.506 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.744 -10.087 1.578 1.00 0.00 N ATOM 1011 CA PRO A 72 -15.041 -10.418 2.805 1.00 0.00 C ATOM 1012 C PRO A 72 -13.543 -10.537 2.505 1.00 0.00 C ATOM 1013 O PRO A 72 -13.175 -11.169 1.514 1.00 0.00 O ATOM 1014 CB PRO A 72 -15.641 -11.753 3.259 1.00 0.00 C ATOM 1015 CG PRO A 72 -17.062 -11.707 2.692 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.888 -10.954 1.372 1.00 0.00 C ATOM 0 HA PRO A 72 -15.148 -9.663 3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.079 -12.601 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.643 -11.845 4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.465 -12.707 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.747 -11.189 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.716 -11.643 0.545 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.780 -10.378 1.127 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.687 -9.896 3.310 1.00 0.00 N ATOM 1025 CA LYS A 73 -11.226 -9.880 3.171 1.00 0.00 C ATOM 1026 C LYS A 73 -10.748 -9.010 1.997 1.00 0.00 C ATOM 1027 O LYS A 73 -9.747 -8.305 2.122 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.635 -11.296 3.072 1.00 0.00 C ATOM 1029 CG LYS A 73 -11.138 -12.231 4.183 1.00 0.00 C ATOM 1030 CD LYS A 73 -10.618 -13.666 4.015 1.00 0.00 C ATOM 1031 CE LYS A 73 -10.977 -14.304 2.663 1.00 0.00 C ATOM 1032 NZ LYS A 73 -12.393 -14.099 2.302 1.00 0.00 N ATOM 0 H LYS A 73 -13.008 -9.351 4.110 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.851 -9.423 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.888 -11.723 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.548 -11.235 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.823 -11.843 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.228 -12.239 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.534 -13.665 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.022 -14.285 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.342 -13.881 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.766 -15.373 2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.633 -14.697 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.997 -14.355 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.548 -13.100 2.056 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.434 -9.062 0.853 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.076 -8.294 -0.330 1.00 0.00 C ATOM 1048 C LYS A 74 -11.275 -6.794 -0.087 1.00 0.00 C ATOM 1049 O LYS A 74 -12.311 -6.224 -0.440 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.861 -8.790 -1.551 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.618 -10.284 -1.810 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.171 -10.684 -3.185 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.003 -12.184 -3.451 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.816 -13.003 -2.533 1.00 0.00 N ATOM 0 H LYS A 74 -12.261 -9.646 0.726 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.017 -8.446 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.926 -8.616 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.569 -8.215 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.550 -10.499 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.097 -10.878 -1.031 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.227 -10.421 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.658 -10.117 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.287 -12.404 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.953 -12.455 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.807 -13.993 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.421 -12.944 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.794 -12.650 -2.527 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.242 -6.150 0.455 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.215 -4.728 0.762 1.00 0.00 C ATOM 1070 C PHE A 75 -9.511 -4.004 -0.379 1.00 0.00 C ATOM 1071 O PHE A 75 -8.418 -4.399 -0.785 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.469 -4.484 2.081 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.339 -4.416 3.320 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.820 -3.170 3.763 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.548 -5.563 4.107 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.526 -3.073 4.973 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.249 -5.466 5.322 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.738 -4.221 5.756 1.00 0.00 C ATOM 0 H PHE A 75 -9.373 -6.624 0.699 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.232 -4.352 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.736 -5.279 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.914 -3.550 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.645 -2.284 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.170 -6.519 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.906 -2.117 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.412 -6.349 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.276 -4.147 6.690 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.155 -2.958 -0.907 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.649 -2.165 -2.017 1.00 0.00 C ATOM 1090 C LYS A 76 -9.840 -0.674 -1.741 1.00 0.00 C ATOM 1091 O LYS A 76 -10.654 -0.279 -0.904 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.323 -2.563 -3.341 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.339 -4.080 -3.573 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.810 -4.378 -5.002 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.039 -5.876 -5.228 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.778 -6.637 -5.191 1.00 0.00 N ATOM 0 H LYS A 76 -11.060 -2.638 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.582 -2.366 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.347 -2.189 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.802 -2.080 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.343 -4.493 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.001 -4.561 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.735 -3.836 -5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.068 -4.013 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.716 -6.259 -4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.526 -6.027 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.984 -7.654 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.175 -6.348 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.284 -6.447 -4.296 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.061 0.152 -2.440 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.118 1.599 -2.308 1.00 0.00 C ATOM 1112 C CYS A 77 -10.278 2.130 -3.133 1.00 0.00 C ATOM 1113 O CYS A 77 -10.215 2.106 -4.364 1.00 0.00 O ATOM 1114 CB CYS A 77 -7.798 2.229 -2.754 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.445 1.932 -1.604 1.00 0.00 S ATOM 0 H CYS A 77 -8.370 -0.171 -3.117 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.275 1.863 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.527 1.834 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.937 3.304 -2.871 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.331 2.600 -2.463 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.525 3.137 -3.095 1.00 0.00 C ATOM 1122 C LEU A 78 -12.664 4.616 -2.761 1.00 0.00 C ATOM 1123 O LEU A 78 -12.128 5.096 -1.764 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.766 2.371 -2.616 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.732 0.869 -2.940 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.042 0.231 -2.467 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.559 0.616 -4.443 1.00 0.00 C ATOM 0 H LEU A 78 -11.373 2.616 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.437 3.022 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.866 2.498 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.652 2.812 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.878 0.427 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.029 -0.835 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.149 0.374 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.881 0.700 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.540 -0.457 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.391 1.065 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.623 1.061 -4.781 1.00 0.00 H new ATOM 1139 N SER A 79 -13.388 5.353 -3.605 1.00 0.00 N ATOM 1140 CA SER A 79 -13.646 6.772 -3.404 1.00 0.00 C ATOM 1141 C SER A 79 -14.828 6.963 -2.443 1.00 0.00 C ATOM 1142 O SER A 79 -15.697 7.795 -2.697 1.00 0.00 O ATOM 1143 CB SER A 79 -13.925 7.417 -4.766 1.00 0.00 C ATOM 1144 OG SER A 79 -12.950 6.997 -5.704 1.00 0.00 O ATOM 0 H SER A 79 -13.813 4.975 -4.452 1.00 0.00 H new ATOM 0 HA SER A 79 -12.777 7.253 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.920 7.139 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.911 8.503 -4.674 1.00 0.00 H new ATOM 0 HG SER A 79 -13.133 7.410 -6.574 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.869 6.169 -1.374 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.883 6.101 -0.341 1.00 0.00 C ATOM 1152 C LYS A 80 -15.378 5.039 0.641 1.00 0.00 C ATOM 1153 O LYS A 80 -14.294 4.487 0.344 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.245 5.691 -0.926 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.151 4.391 -1.745 1.00 0.00 C ATOM 1156 CD LYS A 80 -18.450 3.572 -1.736 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.899 3.117 -0.335 1.00 0.00 C ATOM 1158 NZ LYS A 80 -17.780 2.636 0.499 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.111 4.740 1.608 1.00 0.00 O ATOM 0 H LYS A 80 -14.121 5.498 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.035 7.068 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.963 5.559 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.624 6.493 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.892 4.637 -2.775 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.341 3.778 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.245 4.168 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.316 2.693 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.391 3.948 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.638 2.322 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.143 1.989 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.093 2.134 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.315 3.446 0.956 1.00 0.00 H new