USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 360 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 2 HIS : no HE2:sc= 1.08 K(o=1.2,f=-3.1!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -142:sc= 0.0776 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.102 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00012) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 1.21 (180deg=0.731) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0543) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 28 TYR OH : rot 20:sc= 1.23 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= 1.02 K(o=1,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.0041) USER MOD Single : A 44 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.78) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.059 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.735 -6.642 -13.257 1.00 0.00 N ATOM 2 CA ALA A 1 -3.122 -6.747 -12.817 1.00 0.00 C ATOM 3 C ALA A 1 -3.456 -5.540 -11.977 1.00 0.00 C ATOM 4 O ALA A 1 -2.564 -4.985 -11.318 1.00 0.00 O ATOM 5 CB ALA A 1 -3.318 -8.015 -12.000 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.708 -6.458 -14.280 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.269 -5.861 -12.753 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.237 -7.532 -13.052 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.780 -6.789 -13.685 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.357 -8.083 -11.677 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.071 -8.883 -12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.667 -7.989 -11.126 1.00 0.00 H new ATOM 11 N HIS A 2 -4.703 -5.101 -12.012 1.00 0.00 N ATOM 12 CA HIS A 2 -5.117 -4.002 -11.179 1.00 0.00 C ATOM 13 C HIS A 2 -5.545 -4.564 -9.847 1.00 0.00 C ATOM 14 O HIS A 2 -6.446 -5.397 -9.769 1.00 0.00 O ATOM 15 CB HIS A 2 -6.254 -3.178 -11.806 1.00 0.00 C ATOM 16 CG HIS A 2 -6.609 -1.952 -10.996 1.00 0.00 C ATOM 17 ND1 HIS A 2 -7.599 -1.915 -10.028 1.00 0.00 N ATOM 18 CD2 HIS A 2 -6.056 -0.713 -11.006 1.00 0.00 C ATOM 19 CE1 HIS A 2 -7.615 -0.692 -9.492 1.00 0.00 C ATOM 20 NE2 HIS A 2 -6.693 0.082 -10.052 1.00 0.00 N ATOM 0 H HIS A 2 -5.436 -5.490 -12.606 1.00 0.00 H new ATOM 0 HA HIS A 2 -4.277 -3.317 -11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -5.962 -2.871 -12.810 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -7.138 -3.808 -11.909 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -8.211 -2.689 -9.769 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -5.250 -0.393 -11.650 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -8.287 -0.375 -8.708 1.00 0.00 H new ATOM 28 N CYS A 3 -4.895 -4.134 -8.830 1.00 0.00 N ATOM 29 CA CYS A 3 -5.128 -4.640 -7.509 1.00 0.00 C ATOM 30 C CYS A 3 -6.172 -3.777 -6.800 1.00 0.00 C ATOM 31 O CYS A 3 -5.985 -2.565 -6.653 1.00 0.00 O ATOM 32 CB CYS A 3 -3.817 -4.580 -6.775 1.00 0.00 C ATOM 33 SG CYS A 3 -2.386 -5.058 -7.814 1.00 0.00 S ATOM 0 H CYS A 3 -4.176 -3.413 -8.881 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.504 -5.663 -7.542 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.664 -3.568 -6.400 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.863 -5.238 -5.907 1.00 0.00 H new ATOM 38 N ASP A 4 -7.266 -4.384 -6.390 1.00 0.00 N ATOM 39 CA ASP A 4 -8.348 -3.655 -5.717 1.00 0.00 C ATOM 40 C ASP A 4 -8.522 -4.084 -4.274 1.00 0.00 C ATOM 41 O ASP A 4 -8.923 -3.272 -3.423 1.00 0.00 O ATOM 42 CB ASP A 4 -9.693 -3.813 -6.447 1.00 0.00 C ATOM 43 CG ASP A 4 -9.772 -3.095 -7.776 1.00 0.00 C ATOM 44 OD1 ASP A 4 -9.435 -3.699 -8.832 1.00 0.00 O ATOM 45 OD2 ASP A 4 -10.194 -1.909 -7.803 1.00 0.00 O ATOM 0 H ASP A 4 -7.440 -5.382 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.049 -2.607 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.882 -4.874 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.489 -3.443 -5.800 1.00 0.00 H new ATOM 50 N HIS A 5 -8.220 -5.345 -3.989 1.00 0.00 N ATOM 51 CA HIS A 5 -8.408 -5.900 -2.642 1.00 0.00 C ATOM 52 C HIS A 5 -7.430 -5.319 -1.665 1.00 0.00 C ATOM 53 O HIS A 5 -6.219 -5.471 -1.832 1.00 0.00 O ATOM 54 CB HIS A 5 -8.235 -7.422 -2.615 1.00 0.00 C ATOM 55 CG HIS A 5 -9.233 -8.196 -3.390 1.00 0.00 C ATOM 56 ND1 HIS A 5 -9.010 -8.669 -4.658 1.00 0.00 N ATOM 57 CD2 HIS A 5 -10.462 -8.627 -3.035 1.00 0.00 C ATOM 58 CE1 HIS A 5 -10.081 -9.365 -5.032 1.00 0.00 C ATOM 59 NE2 HIS A 5 -10.999 -9.372 -4.080 1.00 0.00 N ATOM 0 H HIS A 5 -7.844 -6.007 -4.668 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.428 -5.639 -2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.242 -7.663 -2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.270 -7.755 -1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.949 -8.426 -2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.186 -9.859 -5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.911 -9.829 -4.106 1.00 0.00 H new ATOM 67 N PHE A 6 -7.943 -4.658 -0.666 1.00 0.00 N ATOM 68 CA PHE A 6 -7.138 -4.171 0.413 1.00 0.00 C ATOM 69 C PHE A 6 -6.740 -5.360 1.268 1.00 0.00 C ATOM 70 O PHE A 6 -7.592 -6.029 1.859 1.00 0.00 O ATOM 71 CB PHE A 6 -7.917 -3.135 1.234 1.00 0.00 C ATOM 72 CG PHE A 6 -7.222 -2.683 2.488 1.00 0.00 C ATOM 73 CD1 PHE A 6 -7.609 -3.184 3.720 1.00 0.00 C ATOM 74 CD2 PHE A 6 -6.188 -1.767 2.441 1.00 0.00 C ATOM 75 CE1 PHE A 6 -6.982 -2.784 4.875 1.00 0.00 C ATOM 76 CE2 PHE A 6 -5.559 -1.363 3.600 1.00 0.00 C ATOM 77 CZ PHE A 6 -5.956 -1.871 4.816 1.00 0.00 C ATOM 0 H PHE A 6 -8.936 -4.442 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.245 -3.675 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.111 -2.265 0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.886 -3.557 1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.416 -3.900 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.870 -1.365 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.294 -3.186 5.827 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.753 -0.646 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.462 -1.553 5.722 1.00 0.00 H new ATOM 87 N LEU A 7 -5.477 -5.647 1.287 1.00 0.00 N ATOM 88 CA LEU A 7 -4.974 -6.786 2.013 1.00 0.00 C ATOM 89 C LEU A 7 -4.555 -6.400 3.407 1.00 0.00 C ATOM 90 O LEU A 7 -4.797 -7.133 4.370 1.00 0.00 O ATOM 91 CB LEU A 7 -3.801 -7.403 1.264 1.00 0.00 C ATOM 92 CG LEU A 7 -4.115 -7.982 -0.116 1.00 0.00 C ATOM 93 CD1 LEU A 7 -2.873 -8.573 -0.722 1.00 0.00 C ATOM 94 CD2 LEU A 7 -5.221 -9.032 -0.039 1.00 0.00 C ATOM 0 H LEU A 7 -4.761 -5.105 0.803 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.775 -7.520 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.029 -6.643 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.379 -8.196 1.881 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.470 -7.171 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.107 -8.983 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.113 -7.798 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.497 -9.368 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.421 -9.424 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.906 -9.846 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.128 -8.577 0.360 1.00 0.00 H new ATOM 106 N GLY A 8 -3.965 -5.253 3.511 1.00 0.00 N ATOM 107 CA GLY A 8 -3.460 -4.768 4.750 1.00 0.00 C ATOM 108 C GLY A 8 -2.781 -3.471 4.497 1.00 0.00 C ATOM 109 O GLY A 8 -2.694 -3.053 3.339 1.00 0.00 O ATOM 0 H GLY A 8 -3.819 -4.619 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.271 -4.639 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.762 -5.485 5.183 1.00 0.00 H new ATOM 113 N GLU A 9 -2.330 -2.817 5.512 1.00 0.00 N ATOM 114 CA GLU A 9 -1.607 -1.594 5.329 1.00 0.00 C ATOM 115 C GLU A 9 -0.138 -1.838 5.633 1.00 0.00 C ATOM 116 O GLU A 9 0.204 -2.848 6.259 1.00 0.00 O ATOM 117 CB GLU A 9 -2.167 -0.458 6.201 1.00 0.00 C ATOM 118 CG GLU A 9 -2.047 -0.676 7.695 1.00 0.00 C ATOM 119 CD GLU A 9 -2.412 0.559 8.469 1.00 0.00 C ATOM 120 OE1 GLU A 9 -3.496 0.594 9.108 1.00 0.00 O ATOM 121 OE2 GLU A 9 -1.639 1.521 8.441 1.00 0.00 O ATOM 0 H GLU A 9 -2.447 -3.106 6.483 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.720 -1.275 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.651 0.466 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.219 -0.316 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.696 -1.499 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.026 -0.970 7.939 1.00 0.00 H new ATOM 128 N ALA A 10 0.711 -0.953 5.202 1.00 0.00 N ATOM 129 CA ALA A 10 2.130 -1.073 5.439 1.00 0.00 C ATOM 130 C ALA A 10 2.680 0.244 5.963 1.00 0.00 C ATOM 131 O ALA A 10 2.174 1.305 5.613 1.00 0.00 O ATOM 132 CB ALA A 10 2.853 -1.477 4.158 1.00 0.00 C ATOM 0 H ALA A 10 0.444 -0.122 4.674 1.00 0.00 H new ATOM 0 HA ALA A 10 2.297 -1.849 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.922 -1.563 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.470 -2.437 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.685 -0.721 3.391 1.00 0.00 H new ATOM 138 N PRO A 11 3.657 0.199 6.867 1.00 0.00 N ATOM 139 CA PRO A 11 4.318 1.401 7.360 1.00 0.00 C ATOM 140 C PRO A 11 5.393 1.896 6.375 1.00 0.00 C ATOM 141 O PRO A 11 6.406 1.208 6.128 1.00 0.00 O ATOM 142 CB PRO A 11 4.951 0.943 8.672 1.00 0.00 C ATOM 143 CG PRO A 11 5.186 -0.523 8.504 1.00 0.00 C ATOM 144 CD PRO A 11 4.163 -1.024 7.521 1.00 0.00 C ATOM 0 HA PRO A 11 3.631 2.238 7.484 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.885 1.472 8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.292 1.142 9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.196 -0.712 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.089 -1.041 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.608 -1.707 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.362 -1.568 8.022 1.00 0.00 H new ATOM 152 N VAL A 12 5.154 3.053 5.783 1.00 0.00 N ATOM 153 CA VAL A 12 6.075 3.647 4.820 1.00 0.00 C ATOM 154 C VAL A 12 6.186 5.139 5.101 1.00 0.00 C ATOM 155 O VAL A 12 5.169 5.831 5.138 1.00 0.00 O ATOM 156 CB VAL A 12 5.562 3.487 3.348 1.00 0.00 C ATOM 157 CG1 VAL A 12 6.590 3.996 2.347 1.00 0.00 C ATOM 158 CG2 VAL A 12 5.192 2.053 3.031 1.00 0.00 C ATOM 0 H VAL A 12 4.317 3.610 5.954 1.00 0.00 H new ATOM 0 HA VAL A 12 7.033 3.138 4.922 1.00 0.00 H new ATOM 0 HB VAL A 12 4.661 4.094 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.205 3.871 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.787 5.052 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.515 3.430 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.842 1.987 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.066 1.415 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.401 1.724 3.705 1.00 0.00 H new ATOM 168 N TYR A 13 7.385 5.624 5.331 1.00 0.00 N ATOM 169 CA TYR A 13 7.600 7.040 5.486 1.00 0.00 C ATOM 170 C TYR A 13 9.006 7.395 5.012 1.00 0.00 C ATOM 171 O TYR A 13 9.972 6.756 5.430 1.00 0.00 O ATOM 172 CB TYR A 13 7.376 7.521 6.934 1.00 0.00 C ATOM 173 CG TYR A 13 7.354 9.036 7.044 1.00 0.00 C ATOM 174 CD1 TYR A 13 6.199 9.745 6.747 1.00 0.00 C ATOM 175 CD2 TYR A 13 8.487 9.757 7.412 1.00 0.00 C ATOM 176 CE1 TYR A 13 6.166 11.121 6.807 1.00 0.00 C ATOM 177 CE2 TYR A 13 8.458 11.138 7.482 1.00 0.00 C ATOM 178 CZ TYR A 13 7.295 11.812 7.176 1.00 0.00 C ATOM 179 OH TYR A 13 7.265 13.187 7.223 1.00 0.00 O ATOM 0 H TYR A 13 8.227 5.055 5.415 1.00 0.00 H new ATOM 0 HA TYR A 13 6.861 7.556 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.434 7.119 7.306 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.166 7.125 7.572 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.307 9.207 6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.401 9.231 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.258 11.654 6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.342 11.685 7.775 1.00 0.00 H new ATOM 0 HH TYR A 13 8.142 13.524 7.503 1.00 0.00 H new ATOM 189 N PRO A 14 9.151 8.389 4.101 1.00 0.00 N ATOM 190 CA PRO A 14 8.018 9.122 3.508 1.00 0.00 C ATOM 191 C PRO A 14 7.197 8.224 2.571 1.00 0.00 C ATOM 192 O PRO A 14 7.753 7.477 1.749 1.00 0.00 O ATOM 193 CB PRO A 14 8.680 10.267 2.739 1.00 0.00 C ATOM 194 CG PRO A 14 10.090 9.833 2.503 1.00 0.00 C ATOM 195 CD PRO A 14 10.448 8.878 3.608 1.00 0.00 C ATOM 0 HA PRO A 14 7.312 9.475 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.165 10.455 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.646 11.194 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.187 9.351 1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.762 10.691 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.068 8.060 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.011 9.376 4.397 1.00 0.00 H new ATOM 203 N CYS A 15 5.899 8.290 2.709 1.00 0.00 N ATOM 204 CA CYS A 15 5.003 7.399 2.008 1.00 0.00 C ATOM 205 C CYS A 15 4.802 7.841 0.557 1.00 0.00 C ATOM 206 O CYS A 15 4.091 8.820 0.278 1.00 0.00 O ATOM 207 CB CYS A 15 3.657 7.330 2.754 1.00 0.00 C ATOM 208 SG CYS A 15 2.584 5.922 2.305 1.00 0.00 S ATOM 0 H CYS A 15 5.429 8.965 3.312 1.00 0.00 H new ATOM 0 HA CYS A 15 5.448 6.404 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.856 7.286 3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.111 8.255 2.569 1.00 0.00 H new ATOM 213 N LYS A 16 5.457 7.152 -0.354 1.00 0.00 N ATOM 214 CA LYS A 16 5.326 7.390 -1.771 1.00 0.00 C ATOM 215 C LYS A 16 4.606 6.171 -2.362 1.00 0.00 C ATOM 216 O LYS A 16 4.741 5.072 -1.821 1.00 0.00 O ATOM 217 CB LYS A 16 6.725 7.494 -2.389 1.00 0.00 C ATOM 218 CG LYS A 16 6.774 8.185 -3.729 1.00 0.00 C ATOM 219 CD LYS A 16 6.536 9.669 -3.553 1.00 0.00 C ATOM 220 CE LYS A 16 6.454 10.397 -4.883 1.00 0.00 C ATOM 221 NZ LYS A 16 5.250 10.023 -5.643 1.00 0.00 N ATOM 0 H LYS A 16 6.105 6.399 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 16 4.775 8.309 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.374 8.029 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.134 6.490 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.743 8.017 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.020 7.763 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.611 9.824 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.341 10.096 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.453 11.473 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.341 10.172 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.152 10.649 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.334 9.037 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.412 10.118 -5.035 1.00 0.00 H new ATOM 235 N GLU A 17 3.887 6.334 -3.467 1.00 0.00 N ATOM 236 CA GLU A 17 3.143 5.217 -4.055 1.00 0.00 C ATOM 237 C GLU A 17 4.091 4.153 -4.600 1.00 0.00 C ATOM 238 O GLU A 17 3.861 2.956 -4.438 1.00 0.00 O ATOM 239 CB GLU A 17 2.133 5.661 -5.136 1.00 0.00 C ATOM 240 CG GLU A 17 2.713 6.166 -6.452 1.00 0.00 C ATOM 241 CD GLU A 17 3.477 7.455 -6.338 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.912 8.525 -6.659 1.00 0.00 O ATOM 243 OE2 GLU A 17 4.651 7.431 -5.915 1.00 0.00 O ATOM 0 H GLU A 17 3.801 7.216 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 17 2.557 4.782 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.477 4.818 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.509 6.449 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.373 5.401 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.900 6.301 -7.166 1.00 0.00 H new ATOM 250 N LYS A 18 5.182 4.592 -5.214 1.00 0.00 N ATOM 251 CA LYS A 18 6.185 3.669 -5.726 1.00 0.00 C ATOM 252 C LYS A 18 6.874 2.944 -4.578 1.00 0.00 C ATOM 253 O LYS A 18 7.209 1.757 -4.687 1.00 0.00 O ATOM 254 CB LYS A 18 7.205 4.387 -6.593 1.00 0.00 C ATOM 255 CG LYS A 18 6.623 5.011 -7.842 1.00 0.00 C ATOM 256 CD LYS A 18 7.704 5.685 -8.650 1.00 0.00 C ATOM 257 CE LYS A 18 7.150 6.321 -9.906 1.00 0.00 C ATOM 258 NZ LYS A 18 8.208 6.989 -10.682 1.00 0.00 N ATOM 0 H LYS A 18 5.394 5.578 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 18 5.677 2.934 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.686 5.166 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.983 3.680 -6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.135 4.245 -8.445 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.858 5.738 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.192 6.446 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.467 4.954 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.672 5.559 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.380 7.045 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.796 7.415 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.647 7.732 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.930 6.292 -10.956 1.00 0.00 H new ATOM 272 N ALA A 19 7.040 3.650 -3.468 1.00 0.00 N ATOM 273 CA ALA A 19 7.622 3.079 -2.270 1.00 0.00 C ATOM 274 C ALA A 19 6.695 2.009 -1.733 1.00 0.00 C ATOM 275 O ALA A 19 7.122 0.914 -1.414 1.00 0.00 O ATOM 276 CB ALA A 19 7.858 4.152 -1.224 1.00 0.00 C ATOM 0 H ALA A 19 6.775 4.631 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 19 8.587 2.635 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.295 3.702 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.539 4.904 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.909 4.622 -0.965 1.00 0.00 H new ATOM 282 N CYS A 20 5.418 2.323 -1.686 1.00 0.00 N ATOM 283 CA CYS A 20 4.399 1.377 -1.261 1.00 0.00 C ATOM 284 C CYS A 20 4.332 0.156 -2.145 1.00 0.00 C ATOM 285 O CYS A 20 4.215 -0.958 -1.652 1.00 0.00 O ATOM 286 CB CYS A 20 3.052 2.033 -1.179 1.00 0.00 C ATOM 287 SG CYS A 20 2.826 3.015 0.291 1.00 0.00 S ATOM 0 H CYS A 20 5.053 3.241 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 20 4.690 1.040 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.912 2.667 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.280 1.264 -1.215 1.00 0.00 H new ATOM 292 N LYS A 21 4.460 0.350 -3.444 1.00 0.00 N ATOM 293 CA LYS A 21 4.432 -0.758 -4.386 1.00 0.00 C ATOM 294 C LYS A 21 5.645 -1.695 -4.164 1.00 0.00 C ATOM 295 O LYS A 21 5.645 -2.842 -4.584 1.00 0.00 O ATOM 296 CB LYS A 21 4.353 -0.226 -5.825 1.00 0.00 C ATOM 297 CG LYS A 21 4.153 -1.299 -6.892 1.00 0.00 C ATOM 298 CD LYS A 21 3.829 -0.697 -8.260 1.00 0.00 C ATOM 299 CE LYS A 21 4.938 0.200 -8.797 1.00 0.00 C ATOM 300 NZ LYS A 21 6.202 -0.527 -8.997 1.00 0.00 N ATOM 0 H LYS A 21 4.585 1.266 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 21 3.538 -1.357 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.532 0.488 -5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.269 0.321 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.055 -1.906 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.345 -1.965 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.646 -1.503 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.907 -0.120 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.621 0.638 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.102 1.024 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.893 0.099 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.574 -0.836 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.033 -1.358 -9.599 1.00 0.00 H new ATOM 314 N SER A 22 6.643 -1.187 -3.474 1.00 0.00 N ATOM 315 CA SER A 22 7.794 -1.949 -3.086 1.00 0.00 C ATOM 316 C SER A 22 7.535 -2.586 -1.696 1.00 0.00 C ATOM 317 O SER A 22 7.560 -3.812 -1.542 1.00 0.00 O ATOM 318 CB SER A 22 9.027 -1.011 -3.055 1.00 0.00 C ATOM 319 OG SER A 22 10.204 -1.659 -2.598 1.00 0.00 O ATOM 0 H SER A 22 6.671 -0.215 -3.165 1.00 0.00 H new ATOM 0 HA SER A 22 7.986 -2.751 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.201 -0.616 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.813 -0.160 -2.409 1.00 0.00 H new ATOM 0 HG SER A 22 10.950 -1.023 -2.600 1.00 0.00 H new ATOM 325 N VAL A 23 7.218 -1.743 -0.718 1.00 0.00 N ATOM 326 CA VAL A 23 7.027 -2.158 0.676 1.00 0.00 C ATOM 327 C VAL A 23 5.864 -3.153 0.845 1.00 0.00 C ATOM 328 O VAL A 23 5.946 -4.091 1.642 1.00 0.00 O ATOM 329 CB VAL A 23 6.845 -0.932 1.619 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.640 -1.370 3.061 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.052 -0.010 1.524 1.00 0.00 C ATOM 0 H VAL A 23 7.084 -0.743 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 23 7.940 -2.679 0.965 1.00 0.00 H new ATOM 0 HB VAL A 23 5.954 -0.393 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.516 -0.491 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.749 -1.994 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.508 -1.939 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.912 0.843 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.950 -0.554 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.160 0.343 0.498 1.00 0.00 H new ATOM 341 N CYS A 24 4.813 -2.984 0.083 1.00 0.00 N ATOM 342 CA CYS A 24 3.687 -3.895 0.158 1.00 0.00 C ATOM 343 C CYS A 24 4.041 -5.291 -0.329 1.00 0.00 C ATOM 344 O CYS A 24 3.484 -6.262 0.145 1.00 0.00 O ATOM 345 CB CYS A 24 2.460 -3.343 -0.553 1.00 0.00 C ATOM 346 SG CYS A 24 1.709 -1.932 0.309 1.00 0.00 S ATOM 0 H CYS A 24 4.709 -2.229 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 24 3.432 -3.986 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.739 -3.038 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.719 -4.136 -0.653 1.00 0.00 H new ATOM 351 N LYS A 25 5.015 -5.393 -1.221 1.00 0.00 N ATOM 352 CA LYS A 25 5.440 -6.693 -1.725 1.00 0.00 C ATOM 353 C LYS A 25 6.459 -7.304 -0.775 1.00 0.00 C ATOM 354 O LYS A 25 6.730 -8.506 -0.803 1.00 0.00 O ATOM 355 CB LYS A 25 6.026 -6.577 -3.128 1.00 0.00 C ATOM 356 CG LYS A 25 5.057 -6.023 -4.153 1.00 0.00 C ATOM 357 CD LYS A 25 5.660 -6.055 -5.537 1.00 0.00 C ATOM 358 CE LYS A 25 4.727 -5.454 -6.571 1.00 0.00 C ATOM 359 NZ LYS A 25 5.269 -5.598 -7.936 1.00 0.00 N ATOM 0 H LYS A 25 5.523 -4.599 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 25 4.566 -7.342 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.907 -5.936 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.361 -7.562 -3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.135 -6.605 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.791 -4.999 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.603 -5.507 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.890 -7.085 -5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.754 -5.941 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.569 -4.398 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.607 -5.177 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.186 -5.112 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.396 -6.607 -8.154 1.00 0.00 H new ATOM 373 N GLU A 26 7.019 -6.455 0.054 1.00 0.00 N ATOM 374 CA GLU A 26 7.945 -6.826 1.062 1.00 0.00 C ATOM 375 C GLU A 26 7.170 -7.450 2.226 1.00 0.00 C ATOM 376 O GLU A 26 7.540 -8.499 2.752 1.00 0.00 O ATOM 377 CB GLU A 26 8.653 -5.549 1.508 1.00 0.00 C ATOM 378 CG GLU A 26 9.596 -5.703 2.653 1.00 0.00 C ATOM 379 CD GLU A 26 10.798 -6.523 2.311 1.00 0.00 C ATOM 380 OE1 GLU A 26 11.801 -5.944 1.838 1.00 0.00 O ATOM 381 OE2 GLU A 26 10.777 -7.751 2.503 1.00 0.00 O ATOM 0 H GLU A 26 6.826 -5.454 0.032 1.00 0.00 H new ATOM 0 HA GLU A 26 8.675 -7.551 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.203 -5.144 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.898 -4.811 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.918 -4.717 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.072 -6.167 3.489 1.00 0.00 H new ATOM 388 N HIS A 27 6.085 -6.801 2.594 1.00 0.00 N ATOM 389 CA HIS A 27 5.254 -7.248 3.697 1.00 0.00 C ATOM 390 C HIS A 27 4.292 -8.353 3.298 1.00 0.00 C ATOM 391 O HIS A 27 4.151 -9.341 4.020 1.00 0.00 O ATOM 392 CB HIS A 27 4.474 -6.079 4.335 1.00 0.00 C ATOM 393 CG HIS A 27 5.293 -5.156 5.187 1.00 0.00 C ATOM 394 ND1 HIS A 27 5.079 -4.972 6.537 1.00 0.00 N ATOM 395 CD2 HIS A 27 6.334 -4.357 4.866 1.00 0.00 C ATOM 396 CE1 HIS A 27 5.978 -4.098 6.988 1.00 0.00 C ATOM 397 NE2 HIS A 27 6.770 -3.690 6.010 1.00 0.00 N ATOM 0 H HIS A 27 5.753 -5.950 2.139 1.00 0.00 H new ATOM 0 HA HIS A 27 5.942 -7.658 4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.009 -5.497 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.668 -6.490 4.943 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.761 -4.252 3.880 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.050 -3.767 8.014 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.540 -3.025 6.079 1.00 0.00 H new ATOM 405 N TYR A 28 3.653 -8.205 2.160 1.00 0.00 N ATOM 406 CA TYR A 28 2.618 -9.127 1.742 1.00 0.00 C ATOM 407 C TYR A 28 3.029 -9.806 0.441 1.00 0.00 C ATOM 408 O TYR A 28 3.729 -9.216 -0.386 1.00 0.00 O ATOM 409 CB TYR A 28 1.279 -8.365 1.569 1.00 0.00 C ATOM 410 CG TYR A 28 0.833 -7.609 2.817 1.00 0.00 C ATOM 411 CD1 TYR A 28 1.236 -6.295 3.034 1.00 0.00 C ATOM 412 CD2 TYR A 28 0.043 -8.214 3.789 1.00 0.00 C ATOM 413 CE1 TYR A 28 0.880 -5.613 4.176 1.00 0.00 C ATOM 414 CE2 TYR A 28 -0.330 -7.524 4.934 1.00 0.00 C ATOM 415 CZ TYR A 28 0.098 -6.229 5.119 1.00 0.00 C ATOM 416 OH TYR A 28 -0.236 -5.561 6.269 1.00 0.00 O ATOM 0 H TYR A 28 3.833 -7.448 1.501 1.00 0.00 H new ATOM 0 HA TYR A 28 2.482 -9.895 2.503 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.378 -7.659 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.501 -9.076 1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.842 -5.799 2.290 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.284 -9.234 3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.215 -4.598 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.953 -8.001 5.676 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.124 -4.597 6.132 1.00 0.00 H new ATOM 426 N HIS A 29 2.603 -11.029 0.255 1.00 0.00 N ATOM 427 CA HIS A 29 2.983 -11.791 -0.933 1.00 0.00 C ATOM 428 C HIS A 29 1.978 -11.649 -2.054 1.00 0.00 C ATOM 429 O HIS A 29 2.304 -11.881 -3.215 1.00 0.00 O ATOM 430 CB HIS A 29 3.212 -13.275 -0.616 1.00 0.00 C ATOM 431 CG HIS A 29 4.404 -13.534 0.248 1.00 0.00 C ATOM 432 ND1 HIS A 29 4.338 -13.838 1.587 1.00 0.00 N ATOM 433 CD2 HIS A 29 5.717 -13.547 -0.073 1.00 0.00 C ATOM 434 CE1 HIS A 29 5.580 -14.022 2.031 1.00 0.00 C ATOM 435 NE2 HIS A 29 6.458 -13.854 1.061 1.00 0.00 N ATOM 0 H HIS A 29 1.993 -11.528 0.903 1.00 0.00 H new ATOM 0 HA HIS A 29 3.927 -11.363 -1.271 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.325 -13.672 -0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.328 -13.822 -1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.124 -13.350 -1.054 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.834 -14.275 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.473 -13.933 1.130 1.00 0.00 H new ATOM 443 N HIS A 30 0.766 -11.280 -1.718 1.00 0.00 N ATOM 444 CA HIS A 30 -0.288 -11.121 -2.720 1.00 0.00 C ATOM 445 C HIS A 30 -0.483 -9.665 -3.088 1.00 0.00 C ATOM 446 O HIS A 30 -1.263 -9.340 -3.987 1.00 0.00 O ATOM 447 CB HIS A 30 -1.621 -11.717 -2.240 1.00 0.00 C ATOM 448 CG HIS A 30 -1.638 -13.210 -2.107 1.00 0.00 C ATOM 449 ND1 HIS A 30 -2.408 -14.040 -2.893 1.00 0.00 N ATOM 450 CD2 HIS A 30 -0.981 -14.021 -1.243 1.00 0.00 C ATOM 451 CE1 HIS A 30 -2.200 -15.298 -2.499 1.00 0.00 C ATOM 452 NE2 HIS A 30 -1.337 -15.341 -1.496 1.00 0.00 N ATOM 0 H HIS A 30 0.474 -11.081 -0.761 1.00 0.00 H new ATOM 0 HA HIS A 30 0.036 -11.667 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.870 -11.279 -1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.406 -11.421 -2.936 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.029 -13.744 -3.646 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.291 -13.694 -0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.672 -16.164 -2.939 1.00 0.00 H new ATOM 460 N ALA A 31 0.220 -8.786 -2.402 1.00 0.00 N ATOM 461 CA ALA A 31 0.095 -7.369 -2.656 1.00 0.00 C ATOM 462 C ALA A 31 0.861 -6.999 -3.897 1.00 0.00 C ATOM 463 O ALA A 31 2.046 -7.274 -4.011 1.00 0.00 O ATOM 464 CB ALA A 31 0.562 -6.553 -1.469 1.00 0.00 C ATOM 0 H ALA A 31 0.882 -9.030 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.959 -7.141 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.455 -5.492 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.041 -6.803 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.609 -6.777 -1.263 1.00 0.00 H new ATOM 470 N CYS A 32 0.183 -6.416 -4.826 1.00 0.00 N ATOM 471 CA CYS A 32 0.775 -6.029 -6.079 1.00 0.00 C ATOM 472 C CYS A 32 0.743 -4.515 -6.268 1.00 0.00 C ATOM 473 O CYS A 32 1.381 -3.972 -7.173 1.00 0.00 O ATOM 474 CB CYS A 32 0.065 -6.762 -7.219 1.00 0.00 C ATOM 475 SG CYS A 32 -1.757 -6.809 -7.039 1.00 0.00 S ATOM 0 H CYS A 32 -0.808 -6.189 -4.745 1.00 0.00 H new ATOM 0 HA CYS A 32 1.827 -6.315 -6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.316 -6.278 -8.163 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.443 -7.783 -7.274 1.00 0.00 H new ATOM 480 N LYS A 33 0.035 -3.835 -5.396 1.00 0.00 N ATOM 481 CA LYS A 33 -0.106 -2.402 -5.480 1.00 0.00 C ATOM 482 C LYS A 33 -0.144 -1.842 -4.071 1.00 0.00 C ATOM 483 O LYS A 33 -0.523 -2.548 -3.137 1.00 0.00 O ATOM 484 CB LYS A 33 -1.407 -2.069 -6.233 1.00 0.00 C ATOM 485 CG LYS A 33 -1.680 -0.594 -6.462 1.00 0.00 C ATOM 486 CD LYS A 33 -2.993 -0.373 -7.198 1.00 0.00 C ATOM 487 CE LYS A 33 -3.234 1.108 -7.413 1.00 0.00 C ATOM 488 NZ LYS A 33 -4.501 1.395 -8.124 1.00 0.00 N ATOM 0 H LYS A 33 -0.458 -4.260 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 33 0.731 -1.960 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.382 -2.569 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.244 -2.492 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.708 -0.076 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.863 -0.157 -7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.970 -0.888 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.815 -0.803 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.245 1.612 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.403 1.526 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.359 2.190 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.797 0.554 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.238 1.644 -7.434 1.00 0.00 H new ATOM 502 N GLY A 34 0.269 -0.625 -3.920 1.00 0.00 N ATOM 503 CA GLY A 34 0.241 0.028 -2.650 1.00 0.00 C ATOM 504 C GLY A 34 0.145 1.511 -2.845 1.00 0.00 C ATOM 505 O GLY A 34 0.899 2.079 -3.646 1.00 0.00 O ATOM 0 H GLY A 34 0.638 -0.052 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.608 -0.327 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.140 -0.216 -2.085 1.00 0.00 H new ATOM 509 N GLU A 35 -0.775 2.145 -2.167 1.00 0.00 N ATOM 510 CA GLU A 35 -0.957 3.576 -2.308 1.00 0.00 C ATOM 511 C GLU A 35 -1.101 4.226 -0.960 1.00 0.00 C ATOM 512 O GLU A 35 -1.657 3.633 -0.029 1.00 0.00 O ATOM 513 CB GLU A 35 -2.178 3.913 -3.167 1.00 0.00 C ATOM 514 CG GLU A 35 -2.126 3.339 -4.565 1.00 0.00 C ATOM 515 CD GLU A 35 -3.239 3.828 -5.429 1.00 0.00 C ATOM 516 OE1 GLU A 35 -3.039 4.832 -6.143 1.00 0.00 O ATOM 517 OE2 GLU A 35 -4.312 3.218 -5.447 1.00 0.00 O ATOM 0 H GLU A 35 -1.414 1.698 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.069 3.963 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.074 3.544 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.274 4.997 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.173 3.599 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.166 2.251 -4.509 1.00 0.00 H new ATOM 524 N CYS A 36 -0.608 5.423 -0.855 1.00 0.00 N ATOM 525 CA CYS A 36 -0.701 6.174 0.359 1.00 0.00 C ATOM 526 C CYS A 36 -1.967 6.985 0.339 1.00 0.00 C ATOM 527 O CYS A 36 -2.120 7.891 -0.481 1.00 0.00 O ATOM 528 CB CYS A 36 0.489 7.089 0.489 1.00 0.00 C ATOM 529 SG CYS A 36 2.071 6.237 0.370 1.00 0.00 S ATOM 0 H CYS A 36 -0.128 5.908 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.715 5.492 1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.437 7.851 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.436 7.606 1.447 1.00 0.00 H new ATOM 534 N GLU A 37 -2.856 6.660 1.227 1.00 0.00 N ATOM 535 CA GLU A 37 -4.139 7.295 1.309 1.00 0.00 C ATOM 536 C GLU A 37 -4.271 7.930 2.670 1.00 0.00 C ATOM 537 O GLU A 37 -3.721 7.427 3.650 1.00 0.00 O ATOM 538 CB GLU A 37 -5.235 6.261 1.064 1.00 0.00 C ATOM 539 CG GLU A 37 -5.184 5.638 -0.332 1.00 0.00 C ATOM 540 CD GLU A 37 -5.587 6.605 -1.423 1.00 0.00 C ATOM 541 OE1 GLU A 37 -4.779 7.472 -1.828 1.00 0.00 O ATOM 542 OE2 GLU A 37 -6.734 6.514 -1.902 1.00 0.00 O ATOM 0 H GLU A 37 -2.709 5.934 1.928 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.238 8.070 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.151 5.470 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.207 6.732 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.174 5.278 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.843 4.770 -0.361 1.00 0.00 H new ATOM 549 N TYR A 38 -4.965 9.014 2.743 1.00 0.00 N ATOM 550 CA TYR A 38 -5.045 9.766 3.966 1.00 0.00 C ATOM 551 C TYR A 38 -6.234 9.368 4.776 1.00 0.00 C ATOM 552 O TYR A 38 -7.301 9.053 4.232 1.00 0.00 O ATOM 553 CB TYR A 38 -5.072 11.266 3.679 1.00 0.00 C ATOM 554 CG TYR A 38 -3.785 11.791 3.093 1.00 0.00 C ATOM 555 CD1 TYR A 38 -2.830 12.375 3.904 1.00 0.00 C ATOM 556 CD2 TYR A 38 -3.519 11.697 1.733 1.00 0.00 C ATOM 557 CE1 TYR A 38 -1.650 12.851 3.384 1.00 0.00 C ATOM 558 CE2 TYR A 38 -2.341 12.167 1.206 1.00 0.00 C ATOM 559 CZ TYR A 38 -1.409 12.745 2.037 1.00 0.00 C ATOM 560 OH TYR A 38 -0.230 13.218 1.525 1.00 0.00 O ATOM 0 H TYR A 38 -5.494 9.410 1.965 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.152 9.540 4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.889 11.481 2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.285 11.801 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.014 12.459 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.251 11.247 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.916 13.306 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.148 12.083 0.147 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.210 13.068 0.557 1.00 0.00 H new ATOM 570 N HIS A 39 -6.067 9.360 6.059 1.00 0.00 N ATOM 571 CA HIS A 39 -7.145 9.057 6.943 1.00 0.00 C ATOM 572 C HIS A 39 -7.184 10.118 8.029 1.00 0.00 C ATOM 573 O HIS A 39 -6.505 10.009 9.051 1.00 0.00 O ATOM 574 CB HIS A 39 -6.984 7.637 7.539 1.00 0.00 C ATOM 575 CG HIS A 39 -8.160 7.153 8.348 1.00 0.00 C ATOM 576 ND1 HIS A 39 -9.009 6.145 7.943 1.00 0.00 N ATOM 577 CD2 HIS A 39 -8.599 7.536 9.567 1.00 0.00 C ATOM 578 CE1 HIS A 39 -9.915 5.949 8.897 1.00 0.00 C ATOM 579 NE2 HIS A 39 -9.711 6.774 9.916 1.00 0.00 N ATOM 0 H HIS A 39 -5.181 9.563 6.523 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.089 9.064 6.399 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.808 6.934 6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.096 7.622 8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.157 8.311 10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.709 5.218 8.849 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.256 6.837 10.776 1.00 0.00 H new ATOM 587 N GLY A 40 -7.919 11.173 7.767 1.00 0.00 N ATOM 588 CA GLY A 40 -8.053 12.253 8.718 1.00 0.00 C ATOM 589 C GLY A 40 -6.855 13.189 8.719 1.00 0.00 C ATOM 590 O GLY A 40 -6.926 14.313 8.225 1.00 0.00 O ATOM 0 H GLY A 40 -8.436 11.307 6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.953 12.823 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.184 11.837 9.717 1.00 0.00 H new ATOM 594 N ARG A 41 -5.749 12.722 9.251 1.00 0.00 N ATOM 595 CA ARG A 41 -4.554 13.536 9.347 1.00 0.00 C ATOM 596 C ARG A 41 -3.391 12.844 8.667 1.00 0.00 C ATOM 597 O ARG A 41 -2.816 13.364 7.698 1.00 0.00 O ATOM 598 CB ARG A 41 -4.197 13.827 10.818 1.00 0.00 C ATOM 599 CG ARG A 41 -5.292 14.533 11.600 1.00 0.00 C ATOM 600 CD ARG A 41 -4.883 14.782 13.042 1.00 0.00 C ATOM 601 NE ARG A 41 -5.985 15.360 13.825 1.00 0.00 N ATOM 602 CZ ARG A 41 -6.167 15.206 15.145 1.00 0.00 C ATOM 603 NH1 ARG A 41 -5.248 14.593 15.889 1.00 0.00 N ATOM 604 NH2 ARG A 41 -7.258 15.699 15.718 1.00 0.00 N ATOM 0 H ARG A 41 -5.650 11.779 9.626 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.754 14.483 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.961 12.886 11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.295 14.438 10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.527 15.483 11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.200 13.931 11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.565 13.844 13.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.026 15.455 13.067 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.669 15.926 13.322 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.396 14.236 15.456 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.396 14.481 16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.952 16.191 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.403 15.586 16.721 1.00 0.00 H new ATOM 618 N GLU A 42 -3.069 11.667 9.152 1.00 0.00 N ATOM 619 CA GLU A 42 -1.931 10.910 8.680 1.00 0.00 C ATOM 620 C GLU A 42 -2.234 10.147 7.415 1.00 0.00 C ATOM 621 O GLU A 42 -3.406 9.872 7.089 1.00 0.00 O ATOM 622 CB GLU A 42 -1.435 9.959 9.771 1.00 0.00 C ATOM 623 CG GLU A 42 -0.848 10.674 10.974 1.00 0.00 C ATOM 624 CD GLU A 42 0.378 11.460 10.601 1.00 0.00 C ATOM 625 OE1 GLU A 42 0.272 12.658 10.312 1.00 0.00 O ATOM 626 OE2 GLU A 42 1.468 10.879 10.540 1.00 0.00 O ATOM 0 H GLU A 42 -3.595 11.203 9.893 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.144 11.626 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.263 9.331 10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.681 9.295 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.595 11.343 11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.595 9.945 11.744 1.00 0.00 H new ATOM 633 N VAL A 43 -1.194 9.815 6.706 1.00 0.00 N ATOM 634 CA VAL A 43 -1.319 9.062 5.509 1.00 0.00 C ATOM 635 C VAL A 43 -0.915 7.620 5.795 1.00 0.00 C ATOM 636 O VAL A 43 0.065 7.362 6.520 1.00 0.00 O ATOM 637 CB VAL A 43 -0.482 9.678 4.340 1.00 0.00 C ATOM 638 CG1 VAL A 43 1.011 9.589 4.568 1.00 0.00 C ATOM 639 CG2 VAL A 43 -0.863 9.073 3.017 1.00 0.00 C ATOM 0 H VAL A 43 -0.235 10.064 6.950 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.357 9.087 5.178 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.728 10.740 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.535 10.033 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.272 10.126 5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.302 8.543 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.263 9.522 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.683 7.998 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.919 9.259 2.822 1.00 0.00 H new ATOM 649 N HIS A 44 -1.687 6.704 5.306 1.00 0.00 N ATOM 650 CA HIS A 44 -1.433 5.308 5.507 1.00 0.00 C ATOM 651 C HIS A 44 -1.267 4.625 4.187 1.00 0.00 C ATOM 652 O HIS A 44 -1.964 4.933 3.217 1.00 0.00 O ATOM 653 CB HIS A 44 -2.529 4.636 6.359 1.00 0.00 C ATOM 654 CG HIS A 44 -2.473 4.997 7.822 1.00 0.00 C ATOM 655 ND1 HIS A 44 -2.242 4.087 8.833 1.00 0.00 N ATOM 656 CD2 HIS A 44 -2.612 6.197 8.433 1.00 0.00 C ATOM 657 CE1 HIS A 44 -2.246 4.740 9.996 1.00 0.00 C ATOM 658 NE2 HIS A 44 -2.464 6.033 9.809 1.00 0.00 N ATOM 0 H HIS A 44 -2.519 6.902 4.751 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.504 5.210 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.505 4.915 5.963 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.442 3.554 6.258 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.093 3.085 8.712 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.807 7.134 7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.092 4.277 10.960 1.00 0.00 H new ATOM 666 N CYS A 45 -0.330 3.745 4.141 1.00 0.00 N ATOM 667 CA CYS A 45 -0.019 3.015 2.947 1.00 0.00 C ATOM 668 C CYS A 45 -0.873 1.772 2.895 1.00 0.00 C ATOM 669 O CYS A 45 -0.766 0.906 3.756 1.00 0.00 O ATOM 670 CB CYS A 45 1.457 2.657 2.942 1.00 0.00 C ATOM 671 SG CYS A 45 1.987 1.666 1.533 1.00 0.00 S ATOM 0 H CYS A 45 0.255 3.503 4.940 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.228 3.624 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.040 3.578 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.688 2.114 3.858 1.00 0.00 H new ATOM 676 N HIS A 46 -1.742 1.706 1.931 1.00 0.00 N ATOM 677 CA HIS A 46 -2.656 0.612 1.802 1.00 0.00 C ATOM 678 C HIS A 46 -2.191 -0.328 0.717 1.00 0.00 C ATOM 679 O HIS A 46 -1.937 0.096 -0.414 1.00 0.00 O ATOM 680 CB HIS A 46 -4.073 1.132 1.512 1.00 0.00 C ATOM 681 CG HIS A 46 -4.642 2.001 2.607 1.00 0.00 C ATOM 682 ND1 HIS A 46 -5.575 2.989 2.401 1.00 0.00 N ATOM 683 CD2 HIS A 46 -4.402 1.992 3.948 1.00 0.00 C ATOM 684 CE1 HIS A 46 -5.867 3.537 3.579 1.00 0.00 C ATOM 685 NE2 HIS A 46 -5.183 2.965 4.559 1.00 0.00 N ATOM 0 H HIS A 46 -1.837 2.417 1.206 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.684 0.061 2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.058 1.700 0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.736 0.282 1.355 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.714 1.333 4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.571 4.344 3.718 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.222 3.191 5.553 1.00 0.00 H new ATOM 693 N CYS A 47 -2.066 -1.582 1.065 1.00 0.00 N ATOM 694 CA CYS A 47 -1.601 -2.594 0.156 1.00 0.00 C ATOM 695 C CYS A 47 -2.767 -3.289 -0.497 1.00 0.00 C ATOM 696 O CYS A 47 -3.678 -3.795 0.183 1.00 0.00 O ATOM 697 CB CYS A 47 -0.741 -3.602 0.899 1.00 0.00 C ATOM 698 SG CYS A 47 0.644 -2.829 1.789 1.00 0.00 S ATOM 0 H CYS A 47 -2.287 -1.932 1.997 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.001 -2.119 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.362 -4.149 1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.349 -4.331 0.190 1.00 0.00 H new ATOM 703 N TYR A 48 -2.744 -3.322 -1.791 1.00 0.00 N ATOM 704 CA TYR A 48 -3.783 -3.922 -2.561 1.00 0.00 C ATOM 705 C TYR A 48 -3.216 -5.108 -3.303 1.00 0.00 C ATOM 706 O TYR A 48 -2.047 -5.097 -3.716 1.00 0.00 O ATOM 707 CB TYR A 48 -4.360 -2.923 -3.569 1.00 0.00 C ATOM 708 CG TYR A 48 -4.843 -1.625 -2.971 1.00 0.00 C ATOM 709 CD1 TYR A 48 -4.039 -0.494 -2.994 1.00 0.00 C ATOM 710 CD2 TYR A 48 -6.093 -1.526 -2.387 1.00 0.00 C ATOM 711 CE1 TYR A 48 -4.467 0.693 -2.454 1.00 0.00 C ATOM 712 CE2 TYR A 48 -6.529 -0.338 -1.842 1.00 0.00 C ATOM 713 CZ TYR A 48 -5.709 0.768 -1.879 1.00 0.00 C ATOM 714 OH TYR A 48 -6.134 1.955 -1.347 1.00 0.00 O ATOM 0 H TYR A 48 -1.989 -2.926 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.583 -4.238 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.597 -2.701 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.191 -3.396 -4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.059 -0.549 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.737 -2.393 -2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.828 1.564 -2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.507 -0.274 -1.389 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.035 1.844 -0.979 1.00 0.00 H new ATOM 724 N GLY A 49 -4.008 -6.108 -3.471 1.00 0.00 N ATOM 725 CA GLY A 49 -3.586 -7.277 -4.177 1.00 0.00 C ATOM 726 C GLY A 49 -4.734 -8.181 -4.431 1.00 0.00 C ATOM 727 O GLY A 49 -5.862 -7.710 -4.605 1.00 0.00 O ATOM 0 H GLY A 49 -4.967 -6.144 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.127 -6.990 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.825 -7.802 -3.599 1.00 0.00 H new ATOM 731 N ASP A 50 -4.474 -9.451 -4.447 1.00 0.00 N ATOM 732 CA ASP A 50 -5.512 -10.430 -4.622 1.00 0.00 C ATOM 733 C ASP A 50 -5.737 -11.148 -3.327 1.00 0.00 C ATOM 734 O ASP A 50 -4.794 -11.479 -2.610 1.00 0.00 O ATOM 735 CB ASP A 50 -5.207 -11.434 -5.759 1.00 0.00 C ATOM 736 CG ASP A 50 -3.971 -12.293 -5.536 1.00 0.00 C ATOM 737 OD1 ASP A 50 -4.085 -13.424 -4.999 1.00 0.00 O ATOM 738 OD2 ASP A 50 -2.870 -11.878 -5.951 1.00 0.00 O ATOM 0 H ASP A 50 -3.538 -9.843 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.419 -9.903 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.069 -12.089 -5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.085 -10.881 -6.690 1.00 0.00 H new ATOM 743 N TYR A 51 -6.974 -11.334 -2.995 1.00 0.00 N ATOM 744 CA TYR A 51 -7.321 -12.022 -1.799 1.00 0.00 C ATOM 745 C TYR A 51 -7.608 -13.451 -2.170 1.00 0.00 C ATOM 746 O TYR A 51 -8.579 -13.735 -2.877 1.00 0.00 O ATOM 747 CB TYR A 51 -8.539 -11.364 -1.135 1.00 0.00 C ATOM 748 CG TYR A 51 -8.908 -11.944 0.215 1.00 0.00 C ATOM 749 CD1 TYR A 51 -9.856 -12.950 0.328 1.00 0.00 C ATOM 750 CD2 TYR A 51 -8.308 -11.481 1.376 1.00 0.00 C ATOM 751 CE1 TYR A 51 -10.195 -13.475 1.553 1.00 0.00 C ATOM 752 CE2 TYR A 51 -8.640 -12.003 2.607 1.00 0.00 C ATOM 753 CZ TYR A 51 -9.583 -13.000 2.689 1.00 0.00 C ATOM 754 OH TYR A 51 -9.922 -13.519 3.915 1.00 0.00 O ATOM 0 H TYR A 51 -7.770 -11.013 -3.546 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.505 -11.980 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.341 -10.299 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.395 -11.457 -1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.337 -13.328 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.567 -10.697 1.314 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.938 -14.256 1.622 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.163 -11.631 3.502 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.398 -13.076 4.614 1.00 0.00 H new ATOM 764 N HIS A 52 -6.750 -14.321 -1.774 1.00 0.00 N ATOM 765 CA HIS A 52 -6.884 -15.709 -2.078 1.00 0.00 C ATOM 766 C HIS A 52 -6.725 -16.455 -0.782 1.00 0.00 C ATOM 767 O HIS A 52 -5.605 -16.498 -0.273 1.00 0.00 O ATOM 768 CB HIS A 52 -5.792 -16.128 -3.079 1.00 0.00 C ATOM 769 CG HIS A 52 -6.011 -17.462 -3.743 1.00 0.00 C ATOM 770 ND1 HIS A 52 -5.933 -17.653 -5.103 1.00 0.00 N ATOM 771 CD2 HIS A 52 -6.279 -18.679 -3.216 1.00 0.00 C ATOM 772 CE1 HIS A 52 -6.153 -18.938 -5.362 1.00 0.00 C ATOM 773 NE2 HIS A 52 -6.372 -19.615 -4.244 1.00 0.00 N ATOM 774 OXT HIS A 52 -7.714 -16.976 -0.241 1.00 0.00 O ATOM 0 H HIS A 52 -5.923 -14.091 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 52 -7.852 -15.926 -2.530 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.717 -15.363 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.834 -16.151 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.402 -18.891 -2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.153 -19.372 -6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.568 -20.612 -4.155 1.00 0.00 H new TER 782 HIS A 52