USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 384 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 32 ASN : amide:sc= 0.785 X(o=1.5,f=1.2) USER MOD Set 1.2: A 33 THR OG1 : rot -170:sc= 0.736 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.957 USER MOD Set 2.2: A 25 GLN : amide:sc= 1.23 K(o=2.2,f=0.58) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.728 K(o=1.4,f=-1.2!) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.678 K(o=1.4,f=-2.4) USER MOD Single : A 7 MET CE :methyl 159:sc= -0.171 (180deg=-0.733) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0513 (180deg=-0.342) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0162 (180deg=-0.149) USER MOD Single : A 37 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.014) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00174 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 7 -13.446 -0.150 -6.447 1.00 0.00 N ATOM 2 CA MET A 7 -12.813 0.327 -7.698 1.00 0.00 C ATOM 3 C MET A 7 -11.798 1.415 -7.382 1.00 0.00 C ATOM 4 O MET A 7 -12.094 2.607 -7.481 1.00 0.00 O ATOM 5 CB MET A 7 -13.864 0.870 -8.675 1.00 0.00 C ATOM 6 CG MET A 7 -14.857 -0.171 -9.172 1.00 0.00 C ATOM 7 SD MET A 7 -16.001 -0.734 -7.892 1.00 0.00 S ATOM 8 CE MET A 7 -16.886 0.784 -7.536 1.00 0.00 C ATOM 0 HA MET A 7 -12.310 -0.518 -8.168 1.00 0.00 H new ATOM 0 HB2 MET A 7 -14.414 1.675 -8.188 1.00 0.00 H new ATOM 0 HB3 MET A 7 -13.353 1.306 -9.533 1.00 0.00 H new ATOM 0 HG2 MET A 7 -15.428 0.248 -10.001 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.309 -1.028 -9.563 1.00 0.00 H new ATOM 0 HE1 MET A 7 -17.841 0.547 -7.067 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.293 1.401 -6.861 1.00 0.00 H new ATOM 0 HE3 MET A 7 -17.063 1.328 -8.464 1.00 0.00 H new ATOM 17 N GLU A 8 -10.602 0.998 -6.997 1.00 0.00 N ATOM 18 CA GLU A 8 -9.562 1.925 -6.590 1.00 0.00 C ATOM 19 C GLU A 8 -8.192 1.292 -6.772 1.00 0.00 C ATOM 20 O GLU A 8 -8.074 0.080 -6.955 1.00 0.00 O ATOM 21 CB GLU A 8 -9.754 2.350 -5.124 1.00 0.00 C ATOM 22 CG GLU A 8 -9.612 1.221 -4.100 1.00 0.00 C ATOM 23 CD GLU A 8 -10.821 0.307 -4.031 1.00 0.00 C ATOM 24 OE1 GLU A 8 -11.939 0.765 -4.333 1.00 0.00 O ATOM 25 OE2 GLU A 8 -10.664 -0.873 -3.654 1.00 0.00 O ATOM 0 H GLU A 8 -10.328 0.016 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.630 2.812 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.027 3.127 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.743 2.795 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.732 0.627 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.438 1.655 -3.115 1.00 0.00 H new ATOM 32 N ARG A 9 -7.161 2.117 -6.733 1.00 0.00 N ATOM 33 CA ARG A 9 -5.804 1.629 -6.823 1.00 0.00 C ATOM 34 C ARG A 9 -5.192 1.546 -5.436 1.00 0.00 C ATOM 35 O ARG A 9 -5.064 2.548 -4.733 1.00 0.00 O ATOM 36 CB ARG A 9 -4.967 2.523 -7.736 1.00 0.00 C ATOM 37 CG ARG A 9 -3.481 2.207 -7.722 1.00 0.00 C ATOM 38 CD ARG A 9 -2.739 2.988 -8.794 1.00 0.00 C ATOM 39 NE ARG A 9 -3.064 2.519 -10.142 1.00 0.00 N ATOM 40 CZ ARG A 9 -3.020 3.284 -11.236 1.00 0.00 C ATOM 41 NH1 ARG A 9 -2.710 4.572 -11.142 1.00 0.00 N ATOM 42 NH2 ARG A 9 -3.301 2.760 -12.423 1.00 0.00 N ATOM 0 H ARG A 9 -7.242 3.129 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.818 0.630 -7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.338 2.430 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.109 3.562 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.066 2.445 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.333 1.139 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.988 4.046 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.665 2.899 -8.629 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.342 1.544 -10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.504 4.982 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.678 5.151 -11.981 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.550 1.774 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.268 3.344 -13.259 1.00 0.00 H new ATOM 56 N VAL A 10 -4.835 0.339 -5.055 1.00 0.00 N ATOM 57 CA VAL A 10 -4.252 0.082 -3.752 1.00 0.00 C ATOM 58 C VAL A 10 -2.747 -0.121 -3.875 1.00 0.00 C ATOM 59 O VAL A 10 -2.226 -0.324 -4.976 1.00 0.00 O ATOM 60 CB VAL A 10 -4.893 -1.146 -3.067 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.345 -0.861 -2.723 1.00 0.00 C ATOM 62 CG2 VAL A 10 -4.790 -2.386 -3.945 1.00 0.00 C ATOM 0 H VAL A 10 -4.940 -0.492 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.451 0.954 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.344 -1.341 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.783 -1.735 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.398 -0.009 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.897 -0.635 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.250 -3.232 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.305 -2.207 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.741 -2.607 -4.141 1.00 0.00 H new ATOM 72 N TYR A 11 -2.049 -0.055 -2.752 1.00 0.00 N ATOM 73 CA TYR A 11 -0.602 -0.125 -2.755 1.00 0.00 C ATOM 74 C TYR A 11 -0.148 -1.114 -1.700 1.00 0.00 C ATOM 75 O TYR A 11 -0.473 -0.957 -0.527 1.00 0.00 O ATOM 76 CB TYR A 11 -0.016 1.261 -2.466 1.00 0.00 C ATOM 77 CG TYR A 11 -0.765 2.393 -3.143 1.00 0.00 C ATOM 78 CD1 TYR A 11 -0.420 2.820 -4.418 1.00 0.00 C ATOM 79 CD2 TYR A 11 -1.828 3.025 -2.505 1.00 0.00 C ATOM 80 CE1 TYR A 11 -1.111 3.844 -5.036 1.00 0.00 C ATOM 81 CE2 TYR A 11 -2.523 4.049 -3.118 1.00 0.00 C ATOM 82 CZ TYR A 11 -2.161 4.455 -4.382 1.00 0.00 C ATOM 83 OH TYR A 11 -2.853 5.473 -4.994 1.00 0.00 O ATOM 0 H TYR A 11 -2.465 0.047 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.253 -0.456 -3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.018 1.429 -1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.025 1.281 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.401 2.345 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.115 2.709 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.830 4.165 -6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.346 4.528 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.562 5.792 -4.397 1.00 0.00 H new ATOM 93 N GLN A 12 0.565 -2.147 -2.111 1.00 0.00 N ATOM 94 CA GLN A 12 1.033 -3.148 -1.168 1.00 0.00 C ATOM 95 C GLN A 12 2.514 -2.968 -0.881 1.00 0.00 C ATOM 96 O GLN A 12 3.264 -2.482 -1.730 1.00 0.00 O ATOM 97 CB GLN A 12 0.783 -4.569 -1.687 1.00 0.00 C ATOM 98 CG GLN A 12 1.617 -4.956 -2.898 1.00 0.00 C ATOM 99 CD GLN A 12 1.539 -6.439 -3.197 1.00 0.00 C ATOM 100 OE1 GLN A 12 1.359 -7.259 -2.297 1.00 0.00 O ATOM 101 NE2 GLN A 12 1.673 -6.801 -4.460 1.00 0.00 N ATOM 0 H GLN A 12 0.831 -2.315 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 12 0.468 -3.010 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.984 -5.276 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.272 -4.668 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.275 -4.394 -3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.656 -4.676 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.821 -6.094 -5.180 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.628 -7.788 -4.715 1.00 0.00 H new ATOM 110 N CYS A 13 2.924 -3.342 0.323 1.00 0.00 N ATOM 111 CA CYS A 13 4.329 -3.375 0.656 1.00 0.00 C ATOM 112 C CYS A 13 4.907 -4.697 0.157 1.00 0.00 C ATOM 113 O CYS A 13 4.369 -5.768 0.441 1.00 0.00 O ATOM 114 CB CYS A 13 4.548 -3.215 2.172 1.00 0.00 C ATOM 115 SG CYS A 13 4.193 -4.701 3.148 1.00 0.00 S ATOM 0 H CYS A 13 2.301 -3.625 1.079 1.00 0.00 H new ATOM 0 HA CYS A 13 4.839 -2.541 0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.583 -2.920 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.919 -2.401 2.533 1.00 0.00 H new ATOM 120 N LEU A 14 5.984 -4.616 -0.597 1.00 0.00 N ATOM 121 CA LEU A 14 6.609 -5.787 -1.209 1.00 0.00 C ATOM 122 C LEU A 14 7.321 -6.657 -0.168 1.00 0.00 C ATOM 123 O LEU A 14 8.126 -7.520 -0.508 1.00 0.00 O ATOM 124 CB LEU A 14 7.597 -5.333 -2.293 1.00 0.00 C ATOM 125 CG LEU A 14 6.988 -4.848 -3.624 1.00 0.00 C ATOM 126 CD1 LEU A 14 6.795 -6.009 -4.583 1.00 0.00 C ATOM 127 CD2 LEU A 14 5.657 -4.144 -3.424 1.00 0.00 C ATOM 0 H LEU A 14 6.457 -3.737 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 14 5.826 -6.396 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.205 -4.527 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.270 -6.162 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 14 7.694 -4.133 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.364 -5.643 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.758 -6.476 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.124 -6.742 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.268 -3.821 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.949 -4.830 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.798 -3.276 -2.780 1.00 0.00 H new ATOM 139 N ARG A 15 7.035 -6.402 1.102 1.00 0.00 N ATOM 140 CA ARG A 15 7.699 -7.087 2.201 1.00 0.00 C ATOM 141 C ARG A 15 6.740 -8.055 2.883 1.00 0.00 C ATOM 142 O ARG A 15 7.010 -9.251 2.973 1.00 0.00 O ATOM 143 CB ARG A 15 8.193 -6.061 3.209 1.00 0.00 C ATOM 144 CG ARG A 15 8.615 -4.762 2.554 1.00 0.00 C ATOM 145 CD ARG A 15 9.920 -4.915 1.791 1.00 0.00 C ATOM 146 NE ARG A 15 11.071 -5.015 2.686 1.00 0.00 N ATOM 147 CZ ARG A 15 12.321 -5.214 2.272 1.00 0.00 C ATOM 148 NH1 ARG A 15 12.567 -5.512 1.000 1.00 0.00 N ATOM 149 NH2 ARG A 15 13.323 -5.150 3.140 1.00 0.00 N ATOM 0 H ARG A 15 6.339 -5.717 1.398 1.00 0.00 H new ATOM 0 HA ARG A 15 8.543 -7.653 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.404 -5.859 3.934 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.036 -6.476 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.833 -4.427 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.727 -3.990 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.871 -5.805 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.052 -4.062 1.125 1.00 0.00 H new ATOM 0 HE ARG A 15 10.907 -4.927 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.797 -5.589 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.526 -5.663 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.135 -4.949 4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.281 -5.302 2.825 1.00 0.00 H new ATOM 163 N CYS A 16 5.612 -7.533 3.351 1.00 0.00 N ATOM 164 CA CYS A 16 4.621 -8.362 4.029 1.00 0.00 C ATOM 165 C CYS A 16 3.510 -8.732 3.052 1.00 0.00 C ATOM 166 O CYS A 16 2.749 -9.672 3.276 1.00 0.00 O ATOM 167 CB CYS A 16 4.001 -7.628 5.230 1.00 0.00 C ATOM 168 SG CYS A 16 5.136 -6.577 6.172 1.00 0.00 S ATOM 0 H CYS A 16 5.361 -6.547 3.275 1.00 0.00 H new ATOM 0 HA CYS A 16 5.126 -9.258 4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.177 -7.012 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.574 -8.369 5.906 1.00 0.00 H new ATOM 173 N GLY A 17 3.438 -7.983 1.957 1.00 0.00 N ATOM 174 CA GLY A 17 2.357 -8.143 1.008 1.00 0.00 C ATOM 175 C GLY A 17 1.112 -7.413 1.465 1.00 0.00 C ATOM 176 O GLY A 17 0.004 -7.727 1.035 1.00 0.00 O ATOM 0 H GLY A 17 4.116 -7.262 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.666 -7.764 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.134 -9.203 0.882 1.00 0.00 H new ATOM 180 N LEU A 18 1.299 -6.426 2.338 1.00 0.00 N ATOM 181 CA LEU A 18 0.166 -5.717 2.923 1.00 0.00 C ATOM 182 C LEU A 18 -0.278 -4.584 2.014 1.00 0.00 C ATOM 183 O LEU A 18 0.520 -3.713 1.675 1.00 0.00 O ATOM 184 CB LEU A 18 0.518 -5.180 4.309 1.00 0.00 C ATOM 185 CG LEU A 18 0.837 -6.252 5.352 1.00 0.00 C ATOM 186 CD1 LEU A 18 1.081 -5.616 6.711 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.291 -7.271 5.430 1.00 0.00 C ATOM 0 H LEU A 18 2.214 -6.102 2.653 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.658 -6.422 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.377 -4.515 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.315 -4.577 4.672 1.00 0.00 H new ATOM 0 HG LEU A 18 1.747 -6.770 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.307 -6.393 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.922 -4.926 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.190 -5.072 7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.048 -8.027 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.217 -6.768 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.418 -7.749 4.458 1.00 0.00 H new ATOM 199 N THR A 19 -1.544 -4.599 1.627 1.00 0.00 N ATOM 200 CA THR A 19 -2.060 -3.642 0.663 1.00 0.00 C ATOM 201 C THR A 19 -2.944 -2.596 1.341 1.00 0.00 C ATOM 202 O THR A 19 -3.801 -2.922 2.160 1.00 0.00 O ATOM 203 CB THR A 19 -2.870 -4.359 -0.429 1.00 0.00 C ATOM 204 OG1 THR A 19 -2.476 -5.738 -0.497 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.649 -3.707 -1.782 1.00 0.00 C ATOM 0 H THR A 19 -2.235 -5.267 1.968 1.00 0.00 H new ATOM 0 HA THR A 19 -1.205 -3.140 0.211 1.00 0.00 H new ATOM 0 HB THR A 19 -3.927 -4.287 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.995 -6.193 -1.193 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.232 -4.232 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.964 -2.664 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.591 -3.756 -2.041 1.00 0.00 H new ATOM 213 N PHE A 20 -2.728 -1.341 0.986 1.00 0.00 N ATOM 214 CA PHE A 20 -3.473 -0.232 1.570 1.00 0.00 C ATOM 215 C PHE A 20 -4.208 0.523 0.481 1.00 0.00 C ATOM 216 O PHE A 20 -3.784 0.529 -0.672 1.00 0.00 O ATOM 217 CB PHE A 20 -2.523 0.718 2.297 1.00 0.00 C ATOM 218 CG PHE A 20 -1.485 0.007 3.104 1.00 0.00 C ATOM 219 CD1 PHE A 20 -1.724 -0.355 4.420 1.00 0.00 C ATOM 220 CD2 PHE A 20 -0.269 -0.319 2.530 1.00 0.00 C ATOM 221 CE1 PHE A 20 -0.759 -1.023 5.148 1.00 0.00 C ATOM 222 CE2 PHE A 20 0.693 -0.984 3.247 1.00 0.00 C ATOM 223 CZ PHE A 20 0.450 -1.340 4.560 1.00 0.00 C ATOM 0 H PHE A 20 -2.037 -1.060 0.290 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.193 -0.631 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.030 1.359 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.101 1.369 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.671 -0.113 4.879 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.075 -0.046 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.949 -1.297 6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.639 -1.229 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.205 -1.866 5.126 1.00 0.00 H new ATOM 233 N ARG A 21 -5.303 1.163 0.853 1.00 0.00 N ATOM 234 CA ARG A 21 -6.134 1.867 -0.112 1.00 0.00 C ATOM 235 C ARG A 21 -5.638 3.299 -0.312 1.00 0.00 C ATOM 236 O ARG A 21 -6.128 4.016 -1.182 1.00 0.00 O ATOM 237 CB ARG A 21 -7.596 1.864 0.348 1.00 0.00 C ATOM 238 CG ARG A 21 -8.038 0.533 0.947 1.00 0.00 C ATOM 239 CD ARG A 21 -9.539 0.484 1.170 1.00 0.00 C ATOM 240 NE ARG A 21 -10.254 0.100 -0.045 1.00 0.00 N ATOM 241 CZ ARG A 21 -11.581 0.117 -0.172 1.00 0.00 C ATOM 242 NH1 ARG A 21 -12.350 0.543 0.822 1.00 0.00 N ATOM 243 NH2 ARG A 21 -12.139 -0.292 -1.303 1.00 0.00 N ATOM 0 H ARG A 21 -5.638 1.211 1.815 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.067 1.349 -1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.738 2.652 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.237 2.103 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.743 -0.280 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.525 0.373 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.766 -0.226 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.889 1.460 1.505 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.702 -0.201 -0.848 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.927 0.862 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.364 0.552 0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.553 -0.618 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.154 -0.281 -1.404 1.00 0.00 H new ATOM 257 N THR A 22 -4.665 3.709 0.499 1.00 0.00 N ATOM 258 CA THR A 22 -4.069 5.037 0.384 1.00 0.00 C ATOM 259 C THR A 22 -2.562 4.965 0.605 1.00 0.00 C ATOM 260 O THR A 22 -2.070 4.102 1.338 1.00 0.00 O ATOM 261 CB THR A 22 -4.683 6.027 1.397 1.00 0.00 C ATOM 262 OG1 THR A 22 -4.705 5.452 2.708 1.00 0.00 O ATOM 263 CG2 THR A 22 -6.094 6.432 0.998 1.00 0.00 C ATOM 0 H THR A 22 -4.271 3.137 1.246 1.00 0.00 H new ATOM 0 HA THR A 22 -4.278 5.398 -0.623 1.00 0.00 H new ATOM 0 HB THR A 22 -4.057 6.919 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.096 6.092 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.494 7.129 1.734 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.072 6.911 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.728 5.547 0.955 1.00 0.00 H new ATOM 271 N LYS A 23 -1.832 5.875 -0.041 1.00 0.00 N ATOM 272 CA LYS A 23 -0.375 5.904 0.044 1.00 0.00 C ATOM 273 C LYS A 23 0.106 6.279 1.436 1.00 0.00 C ATOM 274 O LYS A 23 1.205 5.905 1.829 1.00 0.00 O ATOM 275 CB LYS A 23 0.213 6.878 -0.977 1.00 0.00 C ATOM 276 CG LYS A 23 0.265 6.329 -2.394 1.00 0.00 C ATOM 277 CD LYS A 23 0.878 7.335 -3.354 1.00 0.00 C ATOM 278 CE LYS A 23 1.175 6.714 -4.709 1.00 0.00 C ATOM 279 NZ LYS A 23 1.751 7.702 -5.659 1.00 0.00 N ATOM 0 H LYS A 23 -2.231 6.605 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.028 4.895 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.379 7.793 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.222 7.150 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.848 5.408 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.742 6.074 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.198 8.177 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.799 7.731 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.870 5.884 -4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.257 6.301 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.939 7.238 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.077 8.482 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.640 8.078 -5.272 1.00 0.00 H new ATOM 293 N LYS A 24 -0.707 7.021 2.177 1.00 0.00 N ATOM 294 CA LYS A 24 -0.339 7.424 3.531 1.00 0.00 C ATOM 295 C LYS A 24 -0.119 6.200 4.416 1.00 0.00 C ATOM 296 O LYS A 24 0.906 6.083 5.091 1.00 0.00 O ATOM 297 CB LYS A 24 -1.416 8.322 4.134 1.00 0.00 C ATOM 298 CG LYS A 24 -1.086 8.806 5.535 1.00 0.00 C ATOM 299 CD LYS A 24 -2.186 9.690 6.094 1.00 0.00 C ATOM 300 CE LYS A 24 -1.805 10.263 7.449 1.00 0.00 C ATOM 301 NZ LYS A 24 -0.604 11.135 7.363 1.00 0.00 N ATOM 0 H LYS A 24 -1.620 7.355 1.867 1.00 0.00 H new ATOM 0 HA LYS A 24 0.594 7.985 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.563 9.185 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.360 7.777 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.939 7.948 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.147 9.359 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.389 10.504 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.106 9.113 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.642 10.835 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.613 9.448 8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.542 11.726 8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.249 10.545 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.677 11.745 6.524 1.00 0.00 H new ATOM 315 N GLN A 25 -1.081 5.282 4.386 1.00 0.00 N ATOM 316 CA GLN A 25 -0.990 4.043 5.153 1.00 0.00 C ATOM 317 C GLN A 25 0.184 3.206 4.664 1.00 0.00 C ATOM 318 O GLN A 25 0.861 2.537 5.445 1.00 0.00 O ATOM 319 CB GLN A 25 -2.287 3.241 5.024 1.00 0.00 C ATOM 320 CG GLN A 25 -3.492 3.912 5.658 1.00 0.00 C ATOM 321 CD GLN A 25 -4.774 3.128 5.443 1.00 0.00 C ATOM 322 OE1 GLN A 25 -5.122 2.251 6.235 1.00 0.00 O ATOM 323 NE2 GLN A 25 -5.490 3.444 4.377 1.00 0.00 N ATOM 0 H GLN A 25 -1.936 5.373 3.837 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.834 4.297 6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.493 3.070 3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.145 2.263 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.317 4.030 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.608 4.913 5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.167 4.177 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.365 2.955 4.187 1.00 0.00 H new ATOM 332 N LEU A 26 0.416 3.256 3.362 1.00 0.00 N ATOM 333 CA LEU A 26 1.513 2.526 2.746 1.00 0.00 C ATOM 334 C LEU A 26 2.863 3.054 3.214 1.00 0.00 C ATOM 335 O LEU A 26 3.704 2.296 3.698 1.00 0.00 O ATOM 336 CB LEU A 26 1.433 2.657 1.229 1.00 0.00 C ATOM 337 CG LEU A 26 2.666 2.167 0.479 1.00 0.00 C ATOM 338 CD1 LEU A 26 2.664 0.648 0.376 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.742 2.824 -0.888 1.00 0.00 C ATOM 0 H LEU A 26 -0.146 3.799 2.707 1.00 0.00 H new ATOM 0 HA LEU A 26 1.424 1.481 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.565 2.100 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.264 3.704 0.977 1.00 0.00 H new ATOM 0 HG LEU A 26 3.558 2.453 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.552 0.319 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.665 0.215 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.773 0.321 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.627 2.467 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.851 2.572 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.803 3.906 -0.769 1.00 0.00 H new ATOM 351 N ILE A 27 3.051 4.360 3.084 1.00 0.00 N ATOM 352 CA ILE A 27 4.330 4.980 3.387 1.00 0.00 C ATOM 353 C ILE A 27 4.663 4.860 4.868 1.00 0.00 C ATOM 354 O ILE A 27 5.787 4.515 5.228 1.00 0.00 O ATOM 355 CB ILE A 27 4.362 6.462 2.955 1.00 0.00 C ATOM 356 CG1 ILE A 27 4.191 6.567 1.433 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.662 7.126 3.396 1.00 0.00 C ATOM 358 CD1 ILE A 27 4.105 7.990 0.921 1.00 0.00 C ATOM 0 H ILE A 27 2.331 5.011 2.770 1.00 0.00 H new ATOM 0 HA ILE A 27 5.087 4.443 2.815 1.00 0.00 H new ATOM 0 HB ILE A 27 3.537 6.984 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.029 6.067 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.288 6.031 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.663 8.169 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.747 7.075 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.507 6.609 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.985 7.980 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.250 8.489 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.018 8.526 1.180 1.00 0.00 H new ATOM 370 N ARG A 28 3.682 5.117 5.728 1.00 0.00 N ATOM 371 CA ARG A 28 3.923 5.045 7.162 1.00 0.00 C ATOM 372 C ARG A 28 4.300 3.621 7.580 1.00 0.00 C ATOM 373 O ARG A 28 5.048 3.428 8.533 1.00 0.00 O ATOM 374 CB ARG A 28 2.711 5.542 7.960 1.00 0.00 C ATOM 375 CG ARG A 28 1.511 4.610 7.934 1.00 0.00 C ATOM 376 CD ARG A 28 0.429 5.083 8.892 1.00 0.00 C ATOM 377 NE ARG A 28 0.945 5.246 10.251 1.00 0.00 N ATOM 378 CZ ARG A 28 0.184 5.306 11.342 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.137 5.216 11.253 1.00 0.00 N ATOM 380 NH2 ARG A 28 0.752 5.467 12.530 1.00 0.00 N ATOM 0 H ARG A 28 2.731 5.372 5.463 1.00 0.00 H new ATOM 0 HA ARG A 28 4.762 5.703 7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.013 5.695 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.409 6.513 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.108 4.559 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.824 3.601 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.021 6.031 8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.392 4.365 8.898 1.00 0.00 H new ATOM 0 HE ARG A 28 1.955 5.319 10.371 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.580 5.099 10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.709 5.263 12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.766 5.544 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.174 5.514 13.369 1.00 0.00 H new ATOM 394 N HIS A 29 3.802 2.627 6.846 1.00 0.00 N ATOM 395 CA HIS A 29 4.120 1.233 7.134 1.00 0.00 C ATOM 396 C HIS A 29 5.474 0.849 6.536 1.00 0.00 C ATOM 397 O HIS A 29 6.261 0.154 7.185 1.00 0.00 O ATOM 398 CB HIS A 29 3.004 0.304 6.634 1.00 0.00 C ATOM 399 CG HIS A 29 3.323 -1.159 6.730 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.636 -1.823 7.898 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.393 -2.087 5.747 1.00 0.00 C ATOM 402 CE1 HIS A 29 3.890 -3.106 7.584 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.752 -3.312 6.288 1.00 0.00 N ATOM 0 H HIS A 29 3.179 2.762 6.050 1.00 0.00 H new ATOM 0 HA HIS A 29 4.190 1.115 8.215 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.098 0.504 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.784 0.548 5.595 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.669 -1.414 8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.199 -1.901 4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.170 -3.867 8.298 1.00 0.00 H new ATOM 411 N LEU A 30 5.743 1.290 5.303 1.00 0.00 N ATOM 412 CA LEU A 30 7.070 1.134 4.717 1.00 0.00 C ATOM 413 C LEU A 30 8.139 1.685 5.660 1.00 0.00 C ATOM 414 O LEU A 30 9.135 1.018 5.937 1.00 0.00 O ATOM 415 CB LEU A 30 7.173 1.825 3.348 1.00 0.00 C ATOM 416 CG LEU A 30 6.584 1.055 2.151 1.00 0.00 C ATOM 417 CD1 LEU A 30 6.960 1.733 0.848 1.00 0.00 C ATOM 418 CD2 LEU A 30 7.052 -0.390 2.147 1.00 0.00 C ATOM 0 H LEU A 30 5.064 1.753 4.699 1.00 0.00 H new ATOM 0 HA LEU A 30 7.236 0.067 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.673 2.791 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.225 2.024 3.143 1.00 0.00 H new ATOM 0 HG LEU A 30 5.498 1.060 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.536 1.176 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.569 2.751 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.045 1.760 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.621 -0.910 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.140 -0.420 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.732 -0.879 3.067 1.00 0.00 H new ATOM 430 N VAL A 31 7.906 2.887 6.174 1.00 0.00 N ATOM 431 CA VAL A 31 8.828 3.518 7.112 1.00 0.00 C ATOM 432 C VAL A 31 8.881 2.753 8.436 1.00 0.00 C ATOM 433 O VAL A 31 9.962 2.435 8.939 1.00 0.00 O ATOM 434 CB VAL A 31 8.427 4.988 7.392 1.00 0.00 C ATOM 435 CG1 VAL A 31 9.336 5.616 8.439 1.00 0.00 C ATOM 436 CG2 VAL A 31 8.456 5.807 6.111 1.00 0.00 C ATOM 0 H VAL A 31 7.082 3.447 5.956 1.00 0.00 H new ATOM 0 HA VAL A 31 9.814 3.499 6.648 1.00 0.00 H new ATOM 0 HB VAL A 31 7.409 4.985 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.030 6.647 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.263 5.053 9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.366 5.598 8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.171 6.836 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.462 5.791 5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.756 5.382 5.392 1.00 0.00 H new ATOM 446 N ASN A 32 7.710 2.448 8.985 1.00 0.00 N ATOM 447 CA ASN A 32 7.604 1.852 10.318 1.00 0.00 C ATOM 448 C ASN A 32 8.228 0.464 10.392 1.00 0.00 C ATOM 449 O ASN A 32 9.163 0.235 11.160 1.00 0.00 O ATOM 450 CB ASN A 32 6.135 1.770 10.755 1.00 0.00 C ATOM 451 CG ASN A 32 5.965 1.143 12.126 1.00 0.00 C ATOM 452 OD1 ASN A 32 6.036 1.830 13.144 1.00 0.00 O ATOM 453 ND2 ASN A 32 5.722 -0.157 12.164 1.00 0.00 N ATOM 0 H ASN A 32 6.813 2.604 8.526 1.00 0.00 H new ATOM 0 HA ASN A 32 8.159 2.503 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.706 2.772 10.763 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.574 1.189 10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.586 -0.624 13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.671 -0.692 11.297 1.00 0.00 H new ATOM 460 N THR A 33 7.718 -0.456 9.595 1.00 0.00 N ATOM 461 CA THR A 33 8.066 -1.859 9.753 1.00 0.00 C ATOM 462 C THR A 33 9.211 -2.278 8.837 1.00 0.00 C ATOM 463 O THR A 33 10.137 -2.973 9.265 1.00 0.00 O ATOM 464 CB THR A 33 6.840 -2.747 9.481 1.00 0.00 C ATOM 465 OG1 THR A 33 5.713 -2.245 10.213 1.00 0.00 O ATOM 466 CG2 THR A 33 7.109 -4.191 9.878 1.00 0.00 C ATOM 0 H THR A 33 7.065 -0.261 8.836 1.00 0.00 H new ATOM 0 HA THR A 33 8.398 -1.990 10.783 1.00 0.00 H new ATOM 0 HB THR A 33 6.628 -2.722 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.979 -2.893 10.168 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.225 -4.795 9.674 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.951 -4.576 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.344 -4.238 10.941 1.00 0.00 H new ATOM 474 N GLU A 34 9.167 -1.838 7.588 1.00 0.00 N ATOM 475 CA GLU A 34 10.142 -2.280 6.598 1.00 0.00 C ATOM 476 C GLU A 34 11.366 -1.364 6.581 1.00 0.00 C ATOM 477 O GLU A 34 12.258 -1.542 5.752 1.00 0.00 O ATOM 478 CB GLU A 34 9.527 -2.333 5.192 1.00 0.00 C ATOM 479 CG GLU A 34 8.053 -1.972 5.110 1.00 0.00 C ATOM 480 CD GLU A 34 7.107 -3.120 5.384 1.00 0.00 C ATOM 481 OE1 GLU A 34 6.776 -3.400 6.541 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.620 -3.733 4.423 1.00 0.00 O ATOM 0 H GLU A 34 8.472 -1.180 7.236 1.00 0.00 H new ATOM 0 HA GLU A 34 10.453 -3.285 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.085 -1.657 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.660 -3.339 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.848 -1.172 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.844 -1.576 4.116 1.00 0.00 H new ATOM 489 N LYS A 35 11.381 -0.390 7.503 1.00 0.00 N ATOM 490 CA LYS A 35 12.465 0.602 7.652 1.00 0.00 C ATOM 491 C LYS A 35 12.809 1.296 6.328 1.00 0.00 C ATOM 492 O LYS A 35 13.955 1.687 6.092 1.00 0.00 O ATOM 493 CB LYS A 35 13.731 -0.012 8.288 1.00 0.00 C ATOM 494 CG LYS A 35 14.506 -0.975 7.396 1.00 0.00 C ATOM 495 CD LYS A 35 15.816 -1.400 8.035 1.00 0.00 C ATOM 496 CE LYS A 35 16.583 -2.367 7.146 1.00 0.00 C ATOM 497 NZ LYS A 35 16.976 -1.753 5.851 1.00 0.00 N ATOM 0 H LYS A 35 10.628 -0.264 8.180 1.00 0.00 H new ATOM 0 HA LYS A 35 12.083 1.363 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.397 0.798 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.442 -0.538 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.896 -1.856 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.707 -0.500 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.429 -0.520 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.616 -1.870 8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.476 -2.708 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.969 -3.248 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.662 -2.369 5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.134 -1.637 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.408 -0.823 6.025 1.00 0.00 H new ATOM 511 N VAL A 36 11.808 1.475 5.487 1.00 0.00 N ATOM 512 CA VAL A 36 12.000 2.105 4.196 1.00 0.00 C ATOM 513 C VAL A 36 11.717 3.599 4.276 1.00 0.00 C ATOM 514 O VAL A 36 10.634 4.009 4.684 1.00 0.00 O ATOM 515 CB VAL A 36 11.083 1.470 3.132 1.00 0.00 C ATOM 516 CG1 VAL A 36 11.223 2.190 1.803 1.00 0.00 C ATOM 517 CG2 VAL A 36 11.399 -0.006 2.972 1.00 0.00 C ATOM 0 H VAL A 36 10.847 1.190 5.678 1.00 0.00 H new ATOM 0 HA VAL A 36 13.040 1.952 3.908 1.00 0.00 H new ATOM 0 HB VAL A 36 10.051 1.569 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.567 1.725 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.947 3.237 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.256 2.125 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.743 -0.439 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.437 -0.124 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.245 -0.516 3.923 1.00 0.00 H new ATOM 527 N ASN A 37 12.694 4.406 3.896 1.00 0.00 N ATOM 528 CA ASN A 37 12.521 5.850 3.868 1.00 0.00 C ATOM 529 C ASN A 37 11.693 6.244 2.648 1.00 0.00 C ATOM 530 O ASN A 37 11.796 5.618 1.593 1.00 0.00 O ATOM 531 CB ASN A 37 13.882 6.548 3.834 1.00 0.00 C ATOM 532 CG ASN A 37 14.689 6.345 5.104 1.00 0.00 C ATOM 533 OD1 ASN A 37 15.920 6.312 5.069 1.00 0.00 O ATOM 534 ND2 ASN A 37 14.011 6.219 6.234 1.00 0.00 N ATOM 0 H ASN A 37 13.617 4.086 3.602 1.00 0.00 H new ATOM 0 HA ASN A 37 11.997 6.163 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.454 6.175 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.732 7.616 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.508 6.089 7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.992 6.251 6.223 1.00 0.00 H new ATOM 541 N PRO A 38 10.851 7.287 2.791 1.00 0.00 N ATOM 542 CA PRO A 38 9.893 7.712 1.757 1.00 0.00 C ATOM 543 C PRO A 38 10.531 8.042 0.405 1.00 0.00 C ATOM 544 O PRO A 38 9.840 8.077 -0.612 1.00 0.00 O ATOM 545 CB PRO A 38 9.236 8.964 2.354 1.00 0.00 C ATOM 546 CG PRO A 38 10.133 9.387 3.465 1.00 0.00 C ATOM 547 CD PRO A 38 10.750 8.129 3.992 1.00 0.00 C ATOM 0 HA PRO A 38 9.197 6.904 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.138 9.751 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.233 8.745 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.897 10.078 3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.573 9.904 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.727 8.314 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.130 7.666 4.760 1.00 0.00 H new ATOM 555 N LEU A 39 11.834 8.299 0.388 1.00 0.00 N ATOM 556 CA LEU A 39 12.531 8.568 -0.865 1.00 0.00 C ATOM 557 C LEU A 39 13.007 7.275 -1.534 1.00 0.00 C ATOM 558 O LEU A 39 13.537 7.299 -2.647 1.00 0.00 O ATOM 559 CB LEU A 39 13.711 9.507 -0.620 1.00 0.00 C ATOM 560 CG LEU A 39 13.325 10.888 -0.093 1.00 0.00 C ATOM 561 CD1 LEU A 39 14.562 11.655 0.333 1.00 0.00 C ATOM 562 CD2 LEU A 39 12.552 11.666 -1.151 1.00 0.00 C ATOM 0 H LEU A 39 12.425 8.327 1.219 1.00 0.00 H new ATOM 0 HA LEU A 39 11.826 9.050 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.390 9.038 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.261 9.629 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 39 12.681 10.759 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.271 12.637 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.077 11.106 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.228 11.775 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.285 12.647 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.172 11.787 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.645 11.121 -1.413 1.00 0.00 H new ATOM 574 N SER A 40 12.802 6.149 -0.867 1.00 0.00 N ATOM 575 CA SER A 40 13.222 4.859 -1.402 1.00 0.00 C ATOM 576 C SER A 40 12.054 3.874 -1.470 1.00 0.00 C ATOM 577 O SER A 40 12.256 2.670 -1.619 1.00 0.00 O ATOM 578 CB SER A 40 14.337 4.274 -0.533 1.00 0.00 C ATOM 579 OG SER A 40 15.473 5.125 -0.514 1.00 0.00 O ATOM 0 H SER A 40 12.348 6.101 0.045 1.00 0.00 H new ATOM 0 HA SER A 40 13.589 5.020 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.971 4.129 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.621 3.293 -0.913 1.00 0.00 H new ATOM 0 HG SER A 40 16.170 4.728 0.050 1.00 0.00 H new ATOM 585 N ILE A 41 10.833 4.392 -1.390 1.00 0.00 N ATOM 586 CA ILE A 41 9.644 3.548 -1.323 1.00 0.00 C ATOM 587 C ILE A 41 9.362 2.832 -2.644 1.00 0.00 C ATOM 588 O ILE A 41 8.716 1.787 -2.658 1.00 0.00 O ATOM 589 CB ILE A 41 8.392 4.360 -0.929 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.190 5.541 -1.884 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.498 4.840 0.510 1.00 0.00 C ATOM 592 CD1 ILE A 41 6.939 6.350 -1.605 1.00 0.00 C ATOM 0 H ILE A 41 10.640 5.393 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 41 9.856 2.803 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 41 7.521 3.709 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.057 6.198 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.147 5.166 -2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.606 5.411 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.585 3.981 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.378 5.473 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.867 7.167 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.063 5.708 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.987 6.757 -0.595 1.00 0.00 H new ATOM 604 N ASP A 42 9.872 3.388 -3.740 1.00 0.00 N ATOM 605 CA ASP A 42 9.501 2.952 -5.095 1.00 0.00 C ATOM 606 C ASP A 42 9.758 1.463 -5.344 1.00 0.00 C ATOM 607 O ASP A 42 9.113 0.858 -6.200 1.00 0.00 O ATOM 608 CB ASP A 42 10.230 3.792 -6.154 1.00 0.00 C ATOM 609 CG ASP A 42 11.723 3.523 -6.216 1.00 0.00 C ATOM 610 OD1 ASP A 42 12.423 3.771 -5.207 1.00 0.00 O ATOM 611 OD2 ASP A 42 12.207 3.092 -7.285 1.00 0.00 O ATOM 0 H ASP A 42 10.551 4.149 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 42 8.425 3.107 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.791 3.591 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.067 4.849 -5.943 1.00 0.00 H new ATOM 616 N TYR A 43 10.683 0.868 -4.606 1.00 0.00 N ATOM 617 CA TYR A 43 10.988 -0.551 -4.777 1.00 0.00 C ATOM 618 C TYR A 43 10.170 -1.436 -3.844 1.00 0.00 C ATOM 619 O TYR A 43 10.010 -2.630 -4.099 1.00 0.00 O ATOM 620 CB TYR A 43 12.474 -0.825 -4.564 1.00 0.00 C ATOM 621 CG TYR A 43 13.320 -0.516 -5.777 1.00 0.00 C ATOM 622 CD1 TYR A 43 13.186 -1.264 -6.940 1.00 0.00 C ATOM 623 CD2 TYR A 43 14.248 0.514 -5.763 1.00 0.00 C ATOM 624 CE1 TYR A 43 13.949 -0.991 -8.055 1.00 0.00 C ATOM 625 CE2 TYR A 43 15.015 0.795 -6.878 1.00 0.00 C ATOM 626 CZ TYR A 43 14.863 0.039 -8.020 1.00 0.00 C ATOM 627 OH TYR A 43 15.619 0.318 -9.135 1.00 0.00 O ATOM 0 H TYR A 43 11.234 1.338 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 43 10.718 -0.800 -5.803 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.829 -0.231 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.608 -1.872 -4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.472 -2.073 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.373 1.105 -4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.831 -1.582 -8.951 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.730 1.604 -6.854 1.00 0.00 H new ATOM 0 HH TYR A 43 16.214 1.073 -8.946 1.00 0.00 H new ATOM 637 N TYR A 44 9.656 -0.864 -2.770 1.00 0.00 N ATOM 638 CA TYR A 44 9.025 -1.665 -1.726 1.00 0.00 C ATOM 639 C TYR A 44 7.528 -1.475 -1.716 1.00 0.00 C ATOM 640 O TYR A 44 6.832 -2.018 -0.858 1.00 0.00 O ATOM 641 CB TYR A 44 9.623 -1.321 -0.367 1.00 0.00 C ATOM 642 CG TYR A 44 11.126 -1.353 -0.417 1.00 0.00 C ATOM 643 CD1 TYR A 44 11.814 -2.548 -0.281 1.00 0.00 C ATOM 644 CD2 TYR A 44 11.851 -0.202 -0.662 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.188 -2.590 -0.375 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.222 -0.235 -0.768 1.00 0.00 C ATOM 647 CZ TYR A 44 13.889 -1.433 -0.620 1.00 0.00 C ATOM 648 OH TYR A 44 15.260 -1.479 -0.737 1.00 0.00 O ATOM 0 H TYR A 44 9.660 0.141 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 44 9.220 -2.716 -1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.287 -0.331 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.265 -2.028 0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.265 -3.460 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.332 0.739 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.712 -3.527 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.773 0.672 -0.966 1.00 0.00 H new ATOM 0 HH TYR A 44 15.604 -0.578 -0.911 1.00 0.00 H new ATOM 658 N TYR A 45 7.034 -0.712 -2.669 1.00 0.00 N ATOM 659 CA TYR A 45 5.601 -0.559 -2.827 1.00 0.00 C ATOM 660 C TYR A 45 5.210 -0.770 -4.284 1.00 0.00 C ATOM 661 O TYR A 45 5.969 -0.437 -5.193 1.00 0.00 O ATOM 662 CB TYR A 45 5.133 0.814 -2.312 1.00 0.00 C ATOM 663 CG TYR A 45 5.052 1.918 -3.357 1.00 0.00 C ATOM 664 CD1 TYR A 45 3.924 2.066 -4.162 1.00 0.00 C ATOM 665 CD2 TYR A 45 6.091 2.820 -3.522 1.00 0.00 C ATOM 666 CE1 TYR A 45 3.845 3.075 -5.102 1.00 0.00 C ATOM 667 CE2 TYR A 45 6.018 3.833 -4.456 1.00 0.00 C ATOM 668 CZ TYR A 45 4.895 3.958 -5.242 1.00 0.00 C ATOM 669 OH TYR A 45 4.820 4.969 -6.173 1.00 0.00 O ATOM 0 H TYR A 45 7.597 -0.192 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 45 5.100 -1.318 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.149 0.695 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.811 1.136 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.098 1.380 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.975 2.728 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.967 3.172 -5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 45 6.839 4.525 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 45 5.641 5.503 -6.143 1.00 0.00 H new ATOM 679 N GLN A 46 4.038 -1.345 -4.492 1.00 0.00 N ATOM 680 CA GLN A 46 3.530 -1.591 -5.830 1.00 0.00 C ATOM 681 C GLN A 46 2.105 -1.077 -5.939 1.00 0.00 C ATOM 682 O GLN A 46 1.300 -1.282 -5.030 1.00 0.00 O ATOM 683 CB GLN A 46 3.564 -3.086 -6.147 1.00 0.00 C ATOM 684 CG GLN A 46 3.139 -3.421 -7.565 1.00 0.00 C ATOM 685 CD GLN A 46 2.968 -4.911 -7.783 1.00 0.00 C ATOM 686 OE1 GLN A 46 2.622 -5.648 -6.860 1.00 0.00 O ATOM 687 NE2 GLN A 46 3.208 -5.365 -9.000 1.00 0.00 N ATOM 0 H GLN A 46 3.416 -1.652 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 46 4.162 -1.066 -6.547 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.575 -3.460 -5.983 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.912 -3.611 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.200 -2.914 -7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.883 -3.038 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.493 -4.721 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.108 -6.360 -9.202 1.00 0.00 H new ATOM 696 N SER A 47 1.801 -0.403 -7.037 1.00 0.00 N ATOM 697 CA SER A 47 0.464 0.117 -7.256 1.00 0.00 C ATOM 698 C SER A 47 -0.373 -0.876 -8.059 1.00 0.00 C ATOM 699 O SER A 47 0.011 -1.278 -9.157 1.00 0.00 O ATOM 700 CB SER A 47 0.537 1.452 -7.993 1.00 0.00 C ATOM 701 OG SER A 47 1.416 2.347 -7.332 1.00 0.00 O ATOM 0 H SER A 47 2.462 -0.204 -7.788 1.00 0.00 H new ATOM 0 HA SER A 47 -0.012 0.269 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.878 1.289 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.458 1.893 -8.055 1.00 0.00 H new ATOM 0 HG SER A 47 1.449 3.195 -7.822 1.00 0.00 H new ATOM 707 N PHE A 48 -1.523 -1.250 -7.519 1.00 0.00 N ATOM 708 CA PHE A 48 -2.396 -2.211 -8.177 1.00 0.00 C ATOM 709 C PHE A 48 -3.839 -1.729 -8.127 1.00 0.00 C ATOM 710 O PHE A 48 -4.297 -1.239 -7.104 1.00 0.00 O ATOM 711 CB PHE A 48 -2.269 -3.583 -7.507 1.00 0.00 C ATOM 712 CG PHE A 48 -3.104 -4.654 -8.150 1.00 0.00 C ATOM 713 CD1 PHE A 48 -2.715 -5.221 -9.352 1.00 0.00 C ATOM 714 CD2 PHE A 48 -4.272 -5.096 -7.551 1.00 0.00 C ATOM 715 CE1 PHE A 48 -3.480 -6.205 -9.948 1.00 0.00 C ATOM 716 CE2 PHE A 48 -5.040 -6.080 -8.141 1.00 0.00 C ATOM 717 CZ PHE A 48 -4.643 -6.637 -9.341 1.00 0.00 C ATOM 0 H PHE A 48 -1.874 -0.903 -6.626 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.096 -2.303 -9.221 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.223 -3.890 -7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.555 -3.493 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.804 -4.890 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.586 -4.666 -6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.169 -6.636 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.950 -6.414 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.241 -7.409 -9.804 1.00 0.00 H new ATOM 727 N SER A 49 -4.551 -1.869 -9.229 1.00 0.00 N ATOM 728 CA SER A 49 -5.932 -1.425 -9.295 1.00 0.00 C ATOM 729 C SER A 49 -6.880 -2.595 -9.066 1.00 0.00 C ATOM 730 O SER A 49 -6.760 -3.638 -9.713 1.00 0.00 O ATOM 731 CB SER A 49 -6.201 -0.772 -10.648 1.00 0.00 C ATOM 732 OG SER A 49 -5.231 0.229 -10.921 1.00 0.00 O ATOM 0 H SER A 49 -4.197 -2.286 -10.090 1.00 0.00 H new ATOM 0 HA SER A 49 -6.105 -0.690 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.182 -1.528 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.198 -0.331 -10.654 1.00 0.00 H new ATOM 0 HG SER A 49 -5.417 0.636 -11.793 1.00 0.00 H new ATOM 738 N VAL A 50 -7.811 -2.422 -8.141 1.00 0.00 N ATOM 739 CA VAL A 50 -8.763 -3.469 -7.810 1.00 0.00 C ATOM 740 C VAL A 50 -10.192 -2.930 -7.892 1.00 0.00 C ATOM 741 O VAL A 50 -10.436 -1.744 -7.650 1.00 0.00 O ATOM 742 CB VAL A 50 -8.479 -4.053 -6.402 1.00 0.00 C ATOM 743 CG1 VAL A 50 -8.657 -2.997 -5.321 1.00 0.00 C ATOM 744 CG2 VAL A 50 -9.355 -5.269 -6.122 1.00 0.00 C ATOM 0 H VAL A 50 -7.927 -1.562 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.652 -4.275 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.439 -4.378 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.451 -3.437 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.967 -2.173 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.681 -2.624 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.133 -5.656 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.405 -4.981 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.154 -6.041 -6.865 1.00 0.00 H new ATOM 754 N SER A 51 -11.129 -3.796 -8.240 1.00 0.00 N ATOM 755 CA SER A 51 -12.511 -3.393 -8.398 1.00 0.00 C ATOM 756 C SER A 51 -13.307 -3.734 -7.141 1.00 0.00 C ATOM 757 CB SER A 51 -13.112 -4.082 -9.627 1.00 0.00 C ATOM 758 OG SER A 51 -12.284 -3.901 -10.771 1.00 0.00 O ATOM 0 H SER A 51 -10.954 -4.785 -8.418 1.00 0.00 H new ATOM 0 HA SER A 51 -12.557 -2.314 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.235 -5.147 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.105 -3.678 -9.825 1.00 0.00 H new ATOM 0 HG SER A 51 -12.688 -4.351 -11.542 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 5.047 -4.453 5.281 1.00 0.00 ZN