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= -0.0279 X(o=-0.028,f=0) USER MOD Set 1.2: A 33 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 12 GLN : amide:sc= -0.47 X(o=-0.56,f=-0.093) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 7 MET CE :methyl 159:sc= -0.112 (180deg=-0.608) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 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+ -158:sc= -0.104 (180deg=-0.486) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.078 F(o=-1.3!,f=-0.078) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.3!) 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 46 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.98) USER MOD Single : A 47 SER OG : rot 128:sc= 0.0302 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 -12.612 0.629 -9.488 1.00 0.00 N ATOM 2 CA MET A 7 -11.335 1.190 -9.980 1.00 0.00 C ATOM 3 C MET A 7 -10.486 1.694 -8.809 1.00 0.00 C ATOM 4 O MET A 7 -9.664 2.597 -8.964 1.00 0.00 O ATOM 5 CB MET A 7 -11.610 2.337 -10.961 1.00 0.00 C ATOM 6 CG MET A 7 -10.400 2.741 -11.792 1.00 0.00 C ATOM 7 SD MET A 7 -10.679 4.246 -12.751 1.00 0.00 S ATOM 8 CE MET A 7 -10.792 5.464 -11.439 1.00 0.00 C ATOM 0 HA MET A 7 -10.784 0.404 -10.496 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.417 2.043 -11.632 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.960 3.204 -10.402 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.545 2.890 -11.132 1.00 0.00 H new ATOM 0 HG3 MET A 7 -10.142 1.927 -12.469 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.591 6.455 -11.845 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.794 5.444 -11.009 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.060 5.233 -10.665 1.00 0.00 H new ATOM 17 N GLU A 8 -10.692 1.120 -7.628 1.00 0.00 N ATOM 18 CA GLU A 8 -9.922 1.510 -6.455 1.00 0.00 C ATOM 19 C GLU A 8 -8.482 1.026 -6.585 1.00 0.00 C ATOM 20 O GLU A 8 -8.229 -0.069 -7.090 1.00 0.00 O ATOM 21 CB GLU A 8 -10.561 0.941 -5.185 1.00 0.00 C ATOM 22 CG GLU A 8 -9.841 1.332 -3.901 1.00 0.00 C ATOM 23 CD GLU A 8 -9.842 2.829 -3.657 1.00 0.00 C ATOM 24 OE1 GLU A 8 -9.022 3.542 -4.269 1.00 0.00 O ATOM 25 OE2 GLU A 8 -10.660 3.298 -2.841 1.00 0.00 O ATOM 0 H GLU A 8 -11.382 0.388 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.920 2.598 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.595 1.280 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.586 -0.146 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.315 0.831 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.811 0.977 -3.945 1.00 0.00 H new ATOM 32 N ARG A 9 -7.549 1.844 -6.133 1.00 0.00 N ATOM 33 CA ARG A 9 -6.135 1.511 -6.224 1.00 0.00 C ATOM 34 C ARG A 9 -5.608 1.073 -4.865 1.00 0.00 C ATOM 35 O ARG A 9 -5.940 1.666 -3.836 1.00 0.00 O ATOM 36 CB ARG A 9 -5.301 2.689 -6.769 1.00 0.00 C ATOM 37 CG ARG A 9 -5.018 3.814 -5.770 1.00 0.00 C ATOM 38 CD ARG A 9 -6.211 4.737 -5.569 1.00 0.00 C ATOM 39 NE ARG A 9 -6.688 5.298 -6.835 1.00 0.00 N ATOM 40 CZ ARG A 9 -7.954 5.641 -7.077 1.00 0.00 C ATOM 41 NH1 ARG A 9 -8.903 5.398 -6.178 1.00 0.00 N ATOM 42 NH2 ARG A 9 -8.285 6.190 -8.238 1.00 0.00 N ATOM 0 H ARG A 9 -7.743 2.746 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.036 0.686 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.349 2.301 -7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.821 3.112 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.735 3.380 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.167 4.398 -6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.019 4.186 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.933 5.547 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.007 5.436 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.665 4.946 -5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.869 5.664 -6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.571 6.351 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.254 6.451 -8.421 1.00 0.00 H new ATOM 56 N VAL A 10 -4.800 0.030 -4.859 1.00 0.00 N ATOM 57 CA VAL A 10 -4.228 -0.478 -3.625 1.00 0.00 C ATOM 58 C VAL A 10 -2.710 -0.556 -3.712 1.00 0.00 C ATOM 59 O VAL A 10 -2.148 -0.863 -4.766 1.00 0.00 O ATOM 60 CB VAL A 10 -4.795 -1.862 -3.239 1.00 0.00 C ATOM 61 CG1 VAL A 10 -6.095 -1.717 -2.467 1.00 0.00 C ATOM 62 CG2 VAL A 10 -5.005 -2.729 -4.472 1.00 0.00 C ATOM 0 H VAL A 10 -4.524 -0.483 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.508 0.231 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.065 -2.353 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.475 -2.705 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.916 -1.145 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.828 -1.197 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.405 -3.698 -4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.708 -2.239 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.053 -2.872 -4.983 1.00 0.00 H new ATOM 72 N TYR A 11 -2.059 -0.263 -2.598 1.00 0.00 N ATOM 73 CA TYR A 11 -0.612 -0.279 -2.515 1.00 0.00 C ATOM 74 C TYR A 11 -0.160 -1.462 -1.674 1.00 0.00 C ATOM 75 O TYR A 11 -0.486 -1.542 -0.493 1.00 0.00 O ATOM 76 CB TYR A 11 -0.098 1.015 -1.874 1.00 0.00 C ATOM 77 CG TYR A 11 -0.504 2.287 -2.589 1.00 0.00 C ATOM 78 CD1 TYR A 11 -1.741 2.878 -2.354 1.00 0.00 C ATOM 79 CD2 TYR A 11 0.357 2.906 -3.486 1.00 0.00 C ATOM 80 CE1 TYR A 11 -2.108 4.047 -2.994 1.00 0.00 C ATOM 81 CE2 TYR A 11 -0.003 4.072 -4.130 1.00 0.00 C ATOM 82 CZ TYR A 11 -1.234 4.638 -3.880 1.00 0.00 C ATOM 83 OH TYR A 11 -1.591 5.801 -4.518 1.00 0.00 O ATOM 0 H TYR A 11 -2.522 -0.007 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.208 -0.364 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.459 1.062 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.990 0.973 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.427 2.416 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.324 2.467 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.072 4.494 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.677 4.539 -4.827 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.863 6.087 -5.108 1.00 0.00 H new ATOM 93 N GLN A 12 0.576 -2.374 -2.280 1.00 0.00 N ATOM 94 CA GLN A 12 1.106 -3.524 -1.566 1.00 0.00 C ATOM 95 C GLN A 12 2.554 -3.295 -1.171 1.00 0.00 C ATOM 96 O GLN A 12 3.376 -2.911 -2.003 1.00 0.00 O ATOM 97 CB GLN A 12 1.035 -4.783 -2.433 1.00 0.00 C ATOM 98 CG GLN A 12 -0.274 -5.533 -2.344 1.00 0.00 C ATOM 99 CD GLN A 12 -0.197 -6.919 -2.957 1.00 0.00 C ATOM 100 OE1 GLN A 12 -0.897 -7.838 -2.530 1.00 0.00 O ATOM 101 NE2 GLN A 12 0.650 -7.082 -3.964 1.00 0.00 N ATOM 0 H GLN A 12 0.822 -2.342 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 12 0.497 -3.658 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.209 -4.503 -3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.844 -5.454 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.569 -5.619 -1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.052 -4.960 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.213 -6.296 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.739 -7.993 -4.413 1.00 0.00 H new ATOM 110 N CYS A 13 2.859 -3.516 0.098 1.00 0.00 N ATOM 111 CA CYS A 13 4.238 -3.565 0.527 1.00 0.00 C ATOM 112 C CYS A 13 4.790 -4.924 0.102 1.00 0.00 C ATOM 113 O CYS A 13 4.236 -5.964 0.459 1.00 0.00 O ATOM 114 CB CYS A 13 4.361 -3.357 2.053 1.00 0.00 C ATOM 115 SG CYS A 13 4.183 -4.865 3.051 1.00 0.00 S ATOM 0 H CYS A 13 2.174 -3.662 0.839 1.00 0.00 H new ATOM 0 HA CYS A 13 4.811 -2.760 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.332 -2.911 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.604 -2.639 2.369 1.00 0.00 H new ATOM 120 N LEU A 14 5.853 -4.926 -0.683 1.00 0.00 N ATOM 121 CA LEU A 14 6.387 -6.166 -1.246 1.00 0.00 C ATOM 122 C LEU A 14 7.129 -6.989 -0.197 1.00 0.00 C ATOM 123 O LEU A 14 7.836 -7.942 -0.525 1.00 0.00 O ATOM 124 CB LEU A 14 7.318 -5.850 -2.419 1.00 0.00 C ATOM 125 CG LEU A 14 6.661 -5.109 -3.584 1.00 0.00 C ATOM 126 CD1 LEU A 14 7.683 -4.801 -4.664 1.00 0.00 C ATOM 127 CD2 LEU A 14 5.510 -5.927 -4.152 1.00 0.00 C ATOM 0 H LEU A 14 6.367 -4.086 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 14 5.545 -6.761 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.151 -5.251 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.737 -6.784 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 14 6.262 -4.165 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.197 -4.274 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.474 -4.176 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.113 -5.732 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.053 -5.386 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.886 -6.886 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.765 -6.096 -3.374 1.00 0.00 H new ATOM 139 N ARG A 15 6.975 -6.616 1.066 1.00 0.00 N ATOM 140 CA ARG A 15 7.690 -7.276 2.141 1.00 0.00 C ATOM 141 C ARG A 15 6.758 -8.208 2.910 1.00 0.00 C ATOM 142 O ARG A 15 7.060 -9.385 3.099 1.00 0.00 O ATOM 143 CB ARG A 15 8.283 -6.232 3.082 1.00 0.00 C ATOM 144 CG ARG A 15 8.676 -4.942 2.376 1.00 0.00 C ATOM 145 CD ARG A 15 9.732 -5.164 1.298 1.00 0.00 C ATOM 146 NE ARG A 15 10.964 -5.751 1.827 1.00 0.00 N ATOM 147 CZ ARG A 15 11.984 -6.152 1.067 1.00 0.00 C ATOM 148 NH1 ARG A 15 11.931 -6.031 -0.256 1.00 0.00 N ATOM 149 NH2 ARG A 15 13.067 -6.668 1.634 1.00 0.00 N ATOM 0 H ARG A 15 6.361 -5.860 1.368 1.00 0.00 H new ATOM 0 HA ARG A 15 8.496 -7.872 1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.559 -6.004 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.161 -6.652 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.790 -4.494 1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.055 -4.231 3.110 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.325 -5.817 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.964 -4.212 0.821 1.00 0.00 H new ATOM 0 HE ARG A 15 11.048 -5.860 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.105 -5.628 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.716 -6.341 -0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.118 -6.757 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.848 -6.975 1.055 1.00 0.00 H new ATOM 163 N CYS A 16 5.617 -7.678 3.347 1.00 0.00 N ATOM 164 CA CYS A 16 4.645 -8.473 4.092 1.00 0.00 C ATOM 165 C CYS A 16 3.447 -8.797 3.207 1.00 0.00 C ATOM 166 O CYS A 16 2.608 -9.633 3.550 1.00 0.00 O ATOM 167 CB CYS A 16 4.155 -7.724 5.336 1.00 0.00 C ATOM 168 SG CYS A 16 5.373 -6.625 6.085 1.00 0.00 S ATOM 0 H CYS A 16 5.345 -6.706 3.199 1.00 0.00 H new ATOM 0 HA CYS A 16 5.138 -9.393 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.275 -7.139 5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.838 -8.454 6.081 1.00 0.00 H new ATOM 173 N GLY A 17 3.378 -8.119 2.064 1.00 0.00 N ATOM 174 CA GLY A 17 2.251 -8.270 1.165 1.00 0.00 C ATOM 175 C GLY A 17 1.043 -7.498 1.645 1.00 0.00 C ATOM 176 O GLY A 17 -0.091 -7.828 1.298 1.00 0.00 O ATOM 0 H GLY A 17 4.090 -7.463 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.531 -7.925 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.996 -9.326 1.076 1.00 0.00 H new ATOM 180 N LEU A 18 1.282 -6.457 2.437 1.00 0.00 N ATOM 181 CA LEU A 18 0.180 -5.694 3.017 1.00 0.00 C ATOM 182 C LEU A 18 -0.294 -4.624 2.048 1.00 0.00 C ATOM 183 O LEU A 18 0.512 -3.861 1.518 1.00 0.00 O ATOM 184 CB LEU A 18 0.583 -5.073 4.359 1.00 0.00 C ATOM 185 CG LEU A 18 0.800 -6.076 5.494 1.00 0.00 C ATOM 186 CD1 LEU A 18 1.151 -5.352 6.784 1.00 0.00 C ATOM 187 CD2 LEU A 18 -0.442 -6.938 5.685 1.00 0.00 C ATOM 0 H LEU A 18 2.213 -6.126 2.689 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.646 -6.381 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.501 -4.502 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.189 -4.365 4.662 1.00 0.00 H new ATOM 0 HG LEU A 18 1.634 -6.726 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.302 -6.081 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.065 -4.776 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.338 -4.679 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.272 -7.646 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.292 -6.302 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.651 -7.483 4.765 1.00 0.00 H new ATOM 199 N THR A 19 -1.599 -4.583 1.808 1.00 0.00 N ATOM 200 CA THR A 19 -2.169 -3.663 0.836 1.00 0.00 C ATOM 201 C THR A 19 -2.978 -2.560 1.514 1.00 0.00 C ATOM 202 O THR A 19 -3.745 -2.817 2.442 1.00 0.00 O ATOM 203 CB THR A 19 -3.074 -4.415 -0.154 1.00 0.00 C ATOM 204 OG1 THR A 19 -2.744 -5.812 -0.144 1.00 0.00 O ATOM 205 CG2 THR A 19 -2.897 -3.871 -1.562 1.00 0.00 C ATOM 0 H THR A 19 -2.283 -5.179 2.275 1.00 0.00 H new ATOM 0 HA THR A 19 -1.337 -3.206 0.300 1.00 0.00 H new ATOM 0 HB THR A 19 -4.111 -4.275 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.323 -6.289 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.546 -4.416 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.159 -2.813 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.859 -3.993 -1.871 1.00 0.00 H new ATOM 213 N PHE A 20 -2.794 -1.334 1.046 1.00 0.00 N ATOM 214 CA PHE A 20 -3.519 -0.186 1.573 1.00 0.00 C ATOM 215 C PHE A 20 -4.179 0.562 0.427 1.00 0.00 C ATOM 216 O PHE A 20 -3.643 0.602 -0.674 1.00 0.00 O ATOM 217 CB PHE A 20 -2.566 0.766 2.302 1.00 0.00 C ATOM 218 CG PHE A 20 -1.525 0.066 3.119 1.00 0.00 C ATOM 219 CD1 PHE A 20 -1.762 -0.274 4.439 1.00 0.00 C ATOM 220 CD2 PHE A 20 -0.307 -0.260 2.552 1.00 0.00 C ATOM 221 CE1 PHE A 20 -0.797 -0.928 5.179 1.00 0.00 C ATOM 222 CE2 PHE A 20 0.657 -0.913 3.282 1.00 0.00 C ATOM 223 CZ PHE A 20 0.414 -1.250 4.599 1.00 0.00 C ATOM 0 H PHE A 20 -2.142 -1.107 0.295 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.272 -0.543 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.072 1.403 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.147 1.420 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.709 -0.026 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.111 0.002 1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.989 -1.187 6.210 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.604 -1.162 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.170 -1.764 5.174 1.00 0.00 H new ATOM 233 N ARG A 21 -5.329 1.159 0.684 1.00 0.00 N ATOM 234 CA ARG A 21 -6.031 1.925 -0.341 1.00 0.00 C ATOM 235 C ARG A 21 -5.671 3.402 -0.236 1.00 0.00 C ATOM 236 O ARG A 21 -6.244 4.251 -0.917 1.00 0.00 O ATOM 237 CB ARG A 21 -7.544 1.737 -0.216 1.00 0.00 C ATOM 238 CG ARG A 21 -8.109 2.186 1.118 1.00 0.00 C ATOM 239 CD ARG A 21 -9.625 2.115 1.130 1.00 0.00 C ATOM 240 NE ARG A 21 -10.217 2.958 0.094 1.00 0.00 N ATOM 241 CZ ARG A 21 -11.003 4.002 0.340 1.00 0.00 C ATOM 242 NH1 ARG A 21 -11.284 4.358 1.588 1.00 0.00 N ATOM 243 NH2 ARG A 21 -11.504 4.691 -0.668 1.00 0.00 N ATOM 0 H ARG A 21 -5.799 1.131 1.589 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.719 1.557 -1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.037 2.292 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.783 0.684 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.708 1.559 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.790 3.207 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.941 1.082 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.995 2.426 2.107 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.015 2.731 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.896 3.829 2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.888 5.160 1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.287 4.421 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.108 5.493 -0.487 1.00 0.00 H new ATOM 257 N THR A 22 -4.714 3.695 0.630 1.00 0.00 N ATOM 258 CA THR A 22 -4.240 5.052 0.824 1.00 0.00 C ATOM 259 C THR A 22 -2.721 5.060 0.971 1.00 0.00 C ATOM 260 O THR A 22 -2.145 4.254 1.710 1.00 0.00 O ATOM 261 CB THR A 22 -4.905 5.712 2.058 1.00 0.00 C ATOM 262 OG1 THR A 22 -4.217 6.915 2.420 1.00 0.00 O ATOM 263 CG2 THR A 22 -4.947 4.758 3.243 1.00 0.00 C ATOM 0 H THR A 22 -4.247 3.001 1.214 1.00 0.00 H new ATOM 0 HA THR A 22 -4.517 5.635 -0.054 1.00 0.00 H new ATOM 0 HB THR A 22 -5.931 5.960 1.785 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.652 7.319 3.200 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.420 5.253 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.520 3.870 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.932 4.467 3.512 1.00 0.00 H new ATOM 271 N LYS A 23 -2.083 5.965 0.238 1.00 0.00 N ATOM 272 CA LYS A 23 -0.627 6.033 0.176 1.00 0.00 C ATOM 273 C LYS A 23 -0.024 6.465 1.510 1.00 0.00 C ATOM 274 O LYS A 23 1.131 6.158 1.800 1.00 0.00 O ATOM 275 CB LYS A 23 -0.194 6.987 -0.944 1.00 0.00 C ATOM 276 CG LYS A 23 1.310 7.041 -1.164 1.00 0.00 C ATOM 277 CD LYS A 23 1.675 7.863 -2.394 1.00 0.00 C ATOM 278 CE LYS A 23 1.179 9.295 -2.284 1.00 0.00 C ATOM 279 NZ LYS A 23 1.475 10.088 -3.509 1.00 0.00 N ATOM 0 H LYS A 23 -2.557 6.669 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.253 5.032 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.676 6.683 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.553 7.990 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.790 7.470 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.697 6.028 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.757 7.862 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.247 7.398 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.104 9.293 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.644 9.774 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.119 11.058 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.503 10.113 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.010 9.647 -4.328 1.00 0.00 H new ATOM 293 N LYS A 24 -0.802 7.162 2.330 1.00 0.00 N ATOM 294 CA LYS A 24 -0.315 7.606 3.631 1.00 0.00 C ATOM 295 C LYS A 24 -0.086 6.423 4.562 1.00 0.00 C ATOM 296 O LYS A 24 0.930 6.351 5.253 1.00 0.00 O ATOM 297 CB LYS A 24 -1.277 8.609 4.271 1.00 0.00 C ATOM 298 CG LYS A 24 -1.108 10.023 3.744 1.00 0.00 C ATOM 299 CD LYS A 24 -2.000 11.006 4.482 1.00 0.00 C ATOM 300 CE LYS A 24 -1.610 12.441 4.167 1.00 0.00 C ATOM 301 NZ LYS A 24 -0.239 12.764 4.652 1.00 0.00 N ATOM 0 H LYS A 24 -1.764 7.430 2.120 1.00 0.00 H new ATOM 0 HA LYS A 24 0.640 8.106 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.302 8.283 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.125 8.610 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.067 10.328 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.343 10.046 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.040 10.839 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.927 10.833 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.662 12.603 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.327 13.121 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.144 13.794 4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.076 12.299 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.462 12.425 3.962 1.00 0.00 H new ATOM 315 N GLN A 25 -1.022 5.486 4.565 1.00 0.00 N ATOM 316 CA GLN A 25 -0.879 4.278 5.368 1.00 0.00 C ATOM 317 C GLN A 25 0.234 3.401 4.810 1.00 0.00 C ATOM 318 O GLN A 25 0.874 2.650 5.546 1.00 0.00 O ATOM 319 CB GLN A 25 -2.200 3.510 5.418 1.00 0.00 C ATOM 320 CG GLN A 25 -3.268 4.203 6.251 1.00 0.00 C ATOM 321 CD GLN A 25 -2.957 4.188 7.736 1.00 0.00 C ATOM 322 OE1 GLN A 25 -2.336 3.116 8.200 1.00 0.00 O flip ATOM 323 NE2 GLN A 25 -3.296 5.122 8.464 1.00 0.00 N flip ATOM 0 H GLN A 25 -1.885 5.537 4.024 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.613 4.565 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.572 3.375 4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.019 2.516 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.370 5.235 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.228 3.716 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.773 5.931 8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.100 5.086 9.464 1.00 0.00 H new ATOM 332 N LEU A 26 0.469 3.516 3.505 1.00 0.00 N ATOM 333 CA LEU A 26 1.560 2.807 2.857 1.00 0.00 C ATOM 334 C LEU A 26 2.897 3.326 3.363 1.00 0.00 C ATOM 335 O LEU A 26 3.732 2.560 3.833 1.00 0.00 O ATOM 336 CB LEU A 26 1.490 2.995 1.341 1.00 0.00 C ATOM 337 CG LEU A 26 2.691 2.451 0.567 1.00 0.00 C ATOM 338 CD1 LEU A 26 2.615 0.939 0.440 1.00 0.00 C ATOM 339 CD2 LEU A 26 2.789 3.105 -0.799 1.00 0.00 C ATOM 0 H LEU A 26 -0.086 4.097 2.877 1.00 0.00 H new ATOM 0 HA LEU A 26 1.468 1.747 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.588 2.509 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.390 4.059 1.126 1.00 0.00 H new ATOM 0 HG LEU A 26 3.594 2.695 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.481 0.576 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.607 0.490 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.703 0.664 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.650 2.704 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.882 2.899 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.906 4.182 -0.679 1.00 0.00 H new ATOM 351 N ILE A 27 3.073 4.642 3.291 1.00 0.00 N ATOM 352 CA ILE A 27 4.321 5.277 3.696 1.00 0.00 C ATOM 353 C ILE A 27 4.608 5.016 5.171 1.00 0.00 C ATOM 354 O ILE A 27 5.738 4.703 5.543 1.00 0.00 O ATOM 355 CB ILE A 27 4.300 6.800 3.418 1.00 0.00 C ATOM 356 CG1 ILE A 27 4.158 7.057 1.913 1.00 0.00 C ATOM 357 CG2 ILE A 27 5.558 7.469 3.958 1.00 0.00 C ATOM 358 CD1 ILE A 27 4.115 8.527 1.543 1.00 0.00 C ATOM 0 H ILE A 27 2.362 5.292 2.954 1.00 0.00 H new ATOM 0 HA ILE A 27 5.119 4.836 3.099 1.00 0.00 H new ATOM 0 HB ILE A 27 3.442 7.233 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.992 6.586 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.247 6.576 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.519 8.538 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.621 7.311 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.435 7.037 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.014 8.627 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.264 9.001 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.036 9.011 1.867 1.00 0.00 H new ATOM 370 N ARG A 28 3.577 5.116 6.002 1.00 0.00 N ATOM 371 CA ARG A 28 3.714 4.844 7.429 1.00 0.00 C ATOM 372 C ARG A 28 4.296 3.459 7.667 1.00 0.00 C ATOM 373 O ARG A 28 5.274 3.299 8.394 1.00 0.00 O ATOM 374 CB ARG A 28 2.361 4.950 8.128 1.00 0.00 C ATOM 375 CG ARG A 28 1.838 6.366 8.237 1.00 0.00 C ATOM 376 CD ARG A 28 0.460 6.393 8.867 1.00 0.00 C ATOM 377 NE ARG A 28 0.036 7.748 9.196 1.00 0.00 N ATOM 378 CZ ARG A 28 -0.814 8.036 10.174 1.00 0.00 C ATOM 379 NH1 ARG A 28 -1.373 7.062 10.883 1.00 0.00 N ATOM 380 NH2 ARG A 28 -1.113 9.297 10.434 1.00 0.00 N ATOM 0 H ARG A 28 2.636 5.384 5.713 1.00 0.00 H new ATOM 0 HA ARG A 28 4.394 5.589 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.634 4.345 7.586 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.445 4.526 9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.525 6.966 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.797 6.819 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.260 5.944 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.463 5.784 9.771 1.00 0.00 H new ATOM 0 HE ARG A 28 0.414 8.518 8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.150 6.088 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.026 7.288 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.691 10.045 9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.766 9.522 11.185 1.00 0.00 H new ATOM 394 N HIS A 29 3.696 2.464 7.032 1.00 0.00 N ATOM 395 CA HIS A 29 4.119 1.085 7.197 1.00 0.00 C ATOM 396 C HIS A 29 5.489 0.851 6.556 1.00 0.00 C ATOM 397 O HIS A 29 6.364 0.230 7.160 1.00 0.00 O ATOM 398 CB HIS A 29 3.055 0.153 6.609 1.00 0.00 C ATOM 399 CG HIS A 29 3.399 -1.301 6.674 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.772 -1.963 7.822 1.00 0.00 N ATOM 401 CD2 HIS A 29 3.438 -2.221 5.684 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.027 -3.240 7.491 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.834 -3.443 6.202 1.00 0.00 N ATOM 0 H HIS A 29 2.910 2.589 6.394 1.00 0.00 H new ATOM 0 HA HIS A 29 4.224 0.866 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.116 0.315 7.138 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.886 0.427 5.568 1.00 0.00 H new ATOM 0 HD1 HIS A 29 3.842 -1.557 8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.197 -2.032 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.348 -4.000 8.188 1.00 0.00 H new ATOM 411 N LEU A 30 5.664 1.351 5.338 1.00 0.00 N ATOM 412 CA LEU A 30 6.944 1.293 4.637 1.00 0.00 C ATOM 413 C LEU A 30 8.099 1.848 5.474 1.00 0.00 C ATOM 414 O LEU A 30 9.112 1.174 5.666 1.00 0.00 O ATOM 415 CB LEU A 30 6.843 2.047 3.308 1.00 0.00 C ATOM 416 CG LEU A 30 6.434 1.199 2.094 1.00 0.00 C ATOM 417 CD1 LEU A 30 7.632 0.438 1.551 1.00 0.00 C ATOM 418 CD2 LEU A 30 5.328 0.219 2.455 1.00 0.00 C ATOM 0 H LEU A 30 4.923 1.809 4.807 1.00 0.00 H new ATOM 0 HA LEU A 30 7.165 0.242 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.121 2.856 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.808 2.508 3.098 1.00 0.00 H new ATOM 0 HG LEU A 30 6.059 1.877 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.325 -0.158 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.404 1.144 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.027 -0.219 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.060 -0.367 1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.676 -0.448 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.454 0.769 2.805 1.00 0.00 H new ATOM 430 N VAL A 31 7.941 3.057 5.990 1.00 0.00 N ATOM 431 CA VAL A 31 9.020 3.718 6.718 1.00 0.00 C ATOM 432 C VAL A 31 9.237 3.096 8.094 1.00 0.00 C ATOM 433 O VAL A 31 10.373 2.858 8.514 1.00 0.00 O ATOM 434 CB VAL A 31 8.753 5.231 6.884 1.00 0.00 C ATOM 435 CG1 VAL A 31 9.884 5.904 7.648 1.00 0.00 C ATOM 436 CG2 VAL A 31 8.565 5.892 5.528 1.00 0.00 C ATOM 0 H VAL A 31 7.081 3.601 5.920 1.00 0.00 H new ATOM 0 HA VAL A 31 9.921 3.579 6.120 1.00 0.00 H new ATOM 0 HB VAL A 31 7.835 5.349 7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.671 6.968 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.973 5.455 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.819 5.772 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.378 6.957 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.465 5.756 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.717 5.438 5.016 1.00 0.00 H new ATOM 446 N ASN A 32 8.144 2.820 8.785 1.00 0.00 N ATOM 447 CA ASN A 32 8.214 2.372 10.168 1.00 0.00 C ATOM 448 C ASN A 32 8.549 0.888 10.265 1.00 0.00 C ATOM 449 O ASN A 32 9.441 0.496 11.014 1.00 0.00 O ATOM 450 CB ASN A 32 6.895 2.661 10.886 1.00 0.00 C ATOM 451 CG ASN A 32 6.956 2.346 12.369 1.00 0.00 C ATOM 452 OD1 ASN A 32 7.347 3.192 13.177 1.00 0.00 O ATOM 453 ND2 ASN A 32 6.557 1.141 12.740 1.00 0.00 N ATOM 0 H ASN A 32 7.198 2.898 8.413 1.00 0.00 H new ATOM 0 HA ASN A 32 9.017 2.926 10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.635 3.711 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.099 2.075 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.565 0.882 13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.241 0.470 12.040 1.00 0.00 H new ATOM 460 N THR A 33 7.850 0.060 9.501 1.00 0.00 N ATOM 461 CA THR A 33 7.986 -1.382 9.642 1.00 0.00 C ATOM 462 C THR A 33 8.983 -1.971 8.643 1.00 0.00 C ATOM 463 O THR A 33 9.806 -2.808 9.011 1.00 0.00 O ATOM 464 CB THR A 33 6.622 -2.079 9.492 1.00 0.00 C ATOM 465 OG1 THR A 33 5.666 -1.446 10.354 1.00 0.00 O ATOM 466 CG2 THR A 33 6.719 -3.557 9.846 1.00 0.00 C ATOM 0 H THR A 33 7.189 0.359 8.784 1.00 0.00 H new ATOM 0 HA THR A 33 8.374 -1.563 10.645 1.00 0.00 H new ATOM 0 HB THR A 33 6.305 -1.994 8.452 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.912 -2.053 10.508 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.741 -4.024 9.731 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.434 -4.044 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.052 -3.663 10.878 1.00 0.00 H new ATOM 474 N GLU A 34 8.930 -1.532 7.391 1.00 0.00 N ATOM 475 CA GLU A 34 9.828 -2.074 6.370 1.00 0.00 C ATOM 476 C GLU A 34 11.172 -1.349 6.407 1.00 0.00 C ATOM 477 O GLU A 34 12.053 -1.634 5.599 1.00 0.00 O ATOM 478 CB GLU A 34 9.243 -1.930 4.959 1.00 0.00 C ATOM 479 CG GLU A 34 7.728 -1.849 4.891 1.00 0.00 C ATOM 480 CD GLU A 34 7.021 -3.159 5.128 1.00 0.00 C ATOM 481 OE1 GLU A 34 6.735 -3.517 6.276 1.00 0.00 O ATOM 482 OE2 GLU A 34 6.648 -3.824 4.152 1.00 0.00 O ATOM 0 H GLU A 34 8.287 -0.814 7.058 1.00 0.00 H new ATOM 0 HA GLU A 34 9.958 -3.133 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.660 -1.033 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.573 -2.778 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.382 -1.125 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.441 -1.468 3.911 1.00 0.00 H new ATOM 489 N LYS A 35 11.288 -0.404 7.351 1.00 0.00 N ATOM 490 CA LYS A 35 12.455 0.481 7.506 1.00 0.00 C ATOM 491 C LYS A 35 12.862 1.135 6.182 1.00 0.00 C ATOM 492 O LYS A 35 14.042 1.399 5.940 1.00 0.00 O ATOM 493 CB LYS A 35 13.661 -0.233 8.153 1.00 0.00 C ATOM 494 CG LYS A 35 14.307 -1.319 7.302 1.00 0.00 C ATOM 495 CD LYS A 35 15.727 -1.617 7.751 1.00 0.00 C ATOM 496 CE LYS A 35 16.625 -0.400 7.576 1.00 0.00 C ATOM 497 NZ LYS A 35 18.046 -0.703 7.887 1.00 0.00 N ATOM 0 H LYS A 35 10.559 -0.229 8.043 1.00 0.00 H new ATOM 0 HA LYS A 35 12.139 1.270 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.417 0.514 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.337 -0.676 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.709 -2.229 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.314 -1.007 6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.724 -1.923 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.126 -2.453 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.548 -0.038 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.276 0.403 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.621 0.154 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.125 -1.024 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.389 -1.451 7.251 1.00 0.00 H new ATOM 511 N VAL A 36 11.879 1.418 5.339 1.00 0.00 N ATOM 512 CA VAL A 36 12.130 2.041 4.052 1.00 0.00 C ATOM 513 C VAL A 36 11.629 3.478 4.048 1.00 0.00 C ATOM 514 O VAL A 36 10.425 3.724 4.068 1.00 0.00 O ATOM 515 CB VAL A 36 11.450 1.260 2.913 1.00 0.00 C ATOM 516 CG1 VAL A 36 11.636 1.979 1.594 1.00 0.00 C ATOM 517 CG2 VAL A 36 12.000 -0.154 2.829 1.00 0.00 C ATOM 0 H VAL A 36 10.895 1.224 5.527 1.00 0.00 H new ATOM 0 HA VAL A 36 13.207 2.032 3.888 1.00 0.00 H new ATOM 0 HB VAL A 36 10.383 1.200 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.149 1.413 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.193 2.973 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.700 2.069 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.506 -0.689 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.073 -0.116 2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.816 -0.672 3.770 1.00 0.00 H new ATOM 527 N ASN A 37 12.561 4.418 4.019 1.00 0.00 N ATOM 528 CA ASN A 37 12.226 5.839 4.055 1.00 0.00 C ATOM 529 C ASN A 37 11.517 6.271 2.769 1.00 0.00 C ATOM 530 O ASN A 37 11.702 5.641 1.726 1.00 0.00 O ATOM 531 CB ASN A 37 13.481 6.689 4.271 1.00 0.00 C ATOM 532 CG ASN A 37 14.121 6.477 5.631 1.00 0.00 C ATOM 533 OD1 ASN A 37 14.105 5.375 6.184 1.00 0.00 O ATOM 534 ND2 ASN A 37 14.676 7.540 6.189 1.00 0.00 N ATOM 0 H ASN A 37 13.561 4.224 3.970 1.00 0.00 H new ATOM 0 HA ASN A 37 11.547 5.996 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.209 6.455 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.222 7.742 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.111 7.465 7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.669 8.435 5.700 1.00 0.00 H new ATOM 541 N PRO A 38 10.709 7.350 2.821 1.00 0.00 N ATOM 542 CA PRO A 38 9.846 7.765 1.700 1.00 0.00 C ATOM 543 C PRO A 38 10.581 7.848 0.365 1.00 0.00 C ATOM 544 O PRO A 38 10.081 7.385 -0.661 1.00 0.00 O ATOM 545 CB PRO A 38 9.360 9.153 2.124 1.00 0.00 C ATOM 546 CG PRO A 38 9.400 9.125 3.610 1.00 0.00 C ATOM 547 CD PRO A 38 10.573 8.258 3.978 1.00 0.00 C ATOM 0 HA PRO A 38 9.049 7.042 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.003 9.937 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.352 9.349 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.515 10.130 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.473 8.721 4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.476 8.849 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.391 7.707 4.901 1.00 0.00 H new ATOM 555 N LEU A 39 11.787 8.398 0.390 1.00 0.00 N ATOM 556 CA LEU A 39 12.547 8.633 -0.835 1.00 0.00 C ATOM 557 C LEU A 39 13.195 7.353 -1.361 1.00 0.00 C ATOM 558 O LEU A 39 14.048 7.402 -2.244 1.00 0.00 O ATOM 559 CB LEU A 39 13.622 9.707 -0.610 1.00 0.00 C ATOM 560 CG LEU A 39 13.117 11.151 -0.458 1.00 0.00 C ATOM 561 CD1 LEU A 39 12.217 11.534 -1.625 1.00 0.00 C ATOM 562 CD2 LEU A 39 12.398 11.349 0.870 1.00 0.00 C ATOM 0 H LEU A 39 12.262 8.691 1.244 1.00 0.00 H new ATOM 0 HA LEU A 39 11.840 8.984 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.186 9.445 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.320 9.674 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 39 13.985 11.810 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.871 12.560 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.776 11.454 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.358 10.863 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.053 12.380 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.543 10.675 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.083 11.133 1.690 1.00 0.00 H new ATOM 574 N SER A 40 12.806 6.209 -0.816 1.00 0.00 N ATOM 575 CA SER A 40 13.339 4.935 -1.274 1.00 0.00 C ATOM 576 C SER A 40 12.251 3.863 -1.359 1.00 0.00 C ATOM 577 O SER A 40 12.544 2.704 -1.648 1.00 0.00 O ATOM 578 CB SER A 40 14.464 4.478 -0.343 1.00 0.00 C ATOM 579 OG SER A 40 15.503 5.442 -0.297 1.00 0.00 O ATOM 0 H SER A 40 12.126 6.137 -0.059 1.00 0.00 H new ATOM 0 HA SER A 40 13.736 5.078 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.069 4.315 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.862 3.524 -0.688 1.00 0.00 H new ATOM 0 HG SER A 40 16.211 5.131 0.305 1.00 0.00 H new ATOM 585 N ILE A 41 10.991 4.250 -1.143 1.00 0.00 N ATOM 586 CA ILE A 41 9.882 3.285 -1.146 1.00 0.00 C ATOM 587 C ILE A 41 9.631 2.722 -2.543 1.00 0.00 C ATOM 588 O ILE A 41 8.978 1.688 -2.690 1.00 0.00 O ATOM 589 CB ILE A 41 8.564 3.904 -0.619 1.00 0.00 C ATOM 590 CG1 ILE A 41 8.170 5.132 -1.449 1.00 0.00 C ATOM 591 CG2 ILE A 41 8.684 4.264 0.855 1.00 0.00 C ATOM 592 CD1 ILE A 41 6.869 5.776 -1.014 1.00 0.00 C ATOM 0 H ILE A 41 10.712 5.215 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 41 10.187 2.481 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 41 7.776 3.158 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.968 5.871 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.087 4.839 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.746 4.697 1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.904 3.366 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.488 4.987 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.659 6.637 -1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.058 5.053 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.953 6.102 0.023 1.00 0.00 H new ATOM 604 N ASP A 42 10.189 3.395 -3.548 1.00 0.00 N ATOM 605 CA ASP A 42 9.965 3.081 -4.965 1.00 0.00 C ATOM 606 C ASP A 42 10.080 1.581 -5.266 1.00 0.00 C ATOM 607 O ASP A 42 9.281 1.030 -6.021 1.00 0.00 O ATOM 608 CB ASP A 42 10.967 3.864 -5.820 1.00 0.00 C ATOM 609 CG ASP A 42 10.734 3.705 -7.311 1.00 0.00 C ATOM 610 OD1 ASP A 42 9.819 4.369 -7.847 1.00 0.00 O ATOM 611 OD2 ASP A 42 11.479 2.944 -7.960 1.00 0.00 O ATOM 0 H ASP A 42 10.818 4.185 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 42 8.944 3.374 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.908 4.921 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.977 3.532 -5.579 1.00 0.00 H new ATOM 616 N TYR A 43 11.050 0.922 -4.648 1.00 0.00 N ATOM 617 CA TYR A 43 11.321 -0.486 -4.930 1.00 0.00 C ATOM 618 C TYR A 43 10.444 -1.428 -4.110 1.00 0.00 C ATOM 619 O TYR A 43 10.251 -2.586 -4.482 1.00 0.00 O ATOM 620 CB TYR A 43 12.792 -0.809 -4.649 1.00 0.00 C ATOM 621 CG TYR A 43 13.753 -0.288 -5.692 1.00 0.00 C ATOM 622 CD1 TYR A 43 14.113 1.053 -5.737 1.00 0.00 C ATOM 623 CD2 TYR A 43 14.311 -1.149 -6.630 1.00 0.00 C ATOM 624 CE1 TYR A 43 15.001 1.520 -6.687 1.00 0.00 C ATOM 625 CE2 TYR A 43 15.197 -0.689 -7.581 1.00 0.00 C ATOM 626 CZ TYR A 43 15.538 0.644 -7.607 1.00 0.00 C ATOM 627 OH TYR A 43 16.420 1.103 -8.556 1.00 0.00 O ATOM 0 H TYR A 43 11.664 1.337 -3.947 1.00 0.00 H new ATOM 0 HA TYR A 43 11.090 -0.642 -5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 43 13.065 -0.392 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.907 -1.890 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.692 1.741 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.046 -2.196 -6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.273 2.565 -6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.621 -1.372 -8.302 1.00 0.00 H new ATOM 0 HH TYR A 43 16.705 0.358 -9.125 1.00 0.00 H new ATOM 637 N TYR A 44 9.909 -0.939 -3.006 1.00 0.00 N ATOM 638 CA TYR A 44 9.302 -1.822 -2.016 1.00 0.00 C ATOM 639 C TYR A 44 7.781 -1.766 -2.041 1.00 0.00 C ATOM 640 O TYR A 44 7.123 -2.579 -1.389 1.00 0.00 O ATOM 641 CB TYR A 44 9.804 -1.473 -0.616 1.00 0.00 C ATOM 642 CG TYR A 44 11.306 -1.392 -0.519 1.00 0.00 C ATOM 643 CD1 TYR A 44 11.971 -0.254 -0.937 1.00 0.00 C ATOM 644 CD2 TYR A 44 12.056 -2.446 -0.017 1.00 0.00 C ATOM 645 CE1 TYR A 44 13.339 -0.158 -0.858 1.00 0.00 C ATOM 646 CE2 TYR A 44 13.432 -2.360 0.068 1.00 0.00 C ATOM 647 CZ TYR A 44 14.071 -1.212 -0.356 1.00 0.00 C ATOM 648 OH TYR A 44 15.439 -1.111 -0.269 1.00 0.00 O ATOM 0 H TYR A 44 9.880 0.053 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 44 9.599 -2.838 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.376 -0.517 -0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.442 -2.222 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.404 0.575 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.557 -3.346 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.839 0.740 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.005 -3.186 0.464 1.00 0.00 H new ATOM 0 HH TYR A 44 15.805 -1.939 0.107 1.00 0.00 H new ATOM 658 N TYR A 45 7.215 -0.814 -2.764 1.00 0.00 N ATOM 659 CA TYR A 45 5.760 -0.734 -2.849 1.00 0.00 C ATOM 660 C TYR A 45 5.274 -0.931 -4.281 1.00 0.00 C ATOM 661 O TYR A 45 5.895 -0.461 -5.236 1.00 0.00 O ATOM 662 CB TYR A 45 5.232 0.590 -2.263 1.00 0.00 C ATOM 663 CG TYR A 45 5.193 1.769 -3.219 1.00 0.00 C ATOM 664 CD1 TYR A 45 6.279 2.619 -3.354 1.00 0.00 C ATOM 665 CD2 TYR A 45 4.053 2.044 -3.967 1.00 0.00 C ATOM 666 CE1 TYR A 45 6.237 3.707 -4.206 1.00 0.00 C ATOM 667 CE2 TYR A 45 4.003 3.126 -4.825 1.00 0.00 C ATOM 668 CZ TYR A 45 5.098 3.956 -4.939 1.00 0.00 C ATOM 669 OH TYR A 45 5.051 5.043 -5.785 1.00 0.00 O ATOM 0 H TYR A 45 7.722 -0.101 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 45 5.356 -1.547 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.224 0.421 -1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.853 0.860 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.175 2.428 -2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.191 1.400 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.093 4.359 -4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.112 3.320 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 45 4.178 5.075 -6.228 1.00 0.00 H new ATOM 679 N GLN A 46 4.172 -1.651 -4.411 1.00 0.00 N ATOM 680 CA GLN A 46 3.539 -1.885 -5.698 1.00 0.00 C ATOM 681 C GLN A 46 2.099 -1.393 -5.657 1.00 0.00 C ATOM 682 O GLN A 46 1.343 -1.749 -4.754 1.00 0.00 O ATOM 683 CB GLN A 46 3.563 -3.376 -6.037 1.00 0.00 C ATOM 684 CG GLN A 46 2.788 -3.730 -7.296 1.00 0.00 C ATOM 685 CD GLN A 46 2.641 -5.224 -7.489 1.00 0.00 C ATOM 686 OE1 GLN A 46 2.619 -5.991 -6.525 1.00 0.00 O ATOM 687 NE2 GLN A 46 2.532 -5.648 -8.735 1.00 0.00 N ATOM 0 H GLN A 46 3.691 -2.090 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 46 4.088 -1.340 -6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.598 -3.696 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.151 -3.937 -5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.799 -3.274 -7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.295 -3.304 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.555 -4.979 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.425 -6.644 -8.927 1.00 0.00 H new ATOM 696 N SER A 47 1.721 -0.571 -6.620 1.00 0.00 N ATOM 697 CA SER A 47 0.362 -0.067 -6.687 1.00 0.00 C ATOM 698 C SER A 47 -0.366 -0.659 -7.883 1.00 0.00 C ATOM 699 O SER A 47 0.128 -0.609 -9.011 1.00 0.00 O ATOM 700 CB SER A 47 0.354 1.461 -6.772 1.00 0.00 C ATOM 701 OG SER A 47 -0.971 1.966 -6.796 1.00 0.00 O ATOM 0 H SER A 47 2.335 -0.239 -7.364 1.00 0.00 H new ATOM 0 HA SER A 47 -0.156 -0.366 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.890 1.878 -5.919 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.884 1.781 -7.669 1.00 0.00 H new ATOM 0 HG SER A 47 -1.072 2.651 -6.103 1.00 0.00 H new ATOM 707 N PHE A 48 -1.529 -1.234 -7.626 1.00 0.00 N ATOM 708 CA PHE A 48 -2.365 -1.766 -8.685 1.00 0.00 C ATOM 709 C PHE A 48 -3.826 -1.468 -8.384 1.00 0.00 C ATOM 710 O PHE A 48 -4.229 -1.397 -7.222 1.00 0.00 O ATOM 711 CB PHE A 48 -2.134 -3.274 -8.872 1.00 0.00 C ATOM 712 CG PHE A 48 -2.487 -4.124 -7.681 1.00 0.00 C ATOM 713 CD1 PHE A 48 -1.602 -4.266 -6.627 1.00 0.00 C ATOM 714 CD2 PHE A 48 -3.700 -4.793 -7.628 1.00 0.00 C ATOM 715 CE1 PHE A 48 -1.921 -5.056 -5.541 1.00 0.00 C ATOM 716 CE2 PHE A 48 -4.024 -5.586 -6.546 1.00 0.00 C ATOM 717 CZ PHE A 48 -3.132 -5.718 -5.499 1.00 0.00 C ATOM 0 H PHE A 48 -1.915 -1.344 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.093 -1.280 -9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.719 -3.613 -9.727 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.085 -3.438 -9.118 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.652 -3.753 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.400 -4.692 -8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.223 -5.156 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.972 -6.102 -6.518 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.381 -6.337 -4.650 1.00 0.00 H new ATOM 727 N SER A 49 -4.607 -1.263 -9.427 1.00 0.00 N ATOM 728 CA SER A 49 -6.006 -0.923 -9.269 1.00 0.00 C ATOM 729 C SER A 49 -6.890 -2.146 -9.513 1.00 0.00 C ATOM 730 O SER A 49 -6.614 -2.964 -10.395 1.00 0.00 O ATOM 731 CB SER A 49 -6.373 0.206 -10.231 1.00 0.00 C ATOM 732 OG SER A 49 -5.503 1.317 -10.067 1.00 0.00 O ATOM 0 H SER A 49 -4.294 -1.327 -10.396 1.00 0.00 H new ATOM 0 HA SER A 49 -6.174 -0.586 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.319 -0.155 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.403 0.517 -10.056 1.00 0.00 H new ATOM 0 HG SER A 49 -5.756 2.026 -10.694 1.00 0.00 H new ATOM 738 N VAL A 50 -7.937 -2.271 -8.713 1.00 0.00 N ATOM 739 CA VAL A 50 -8.885 -3.368 -8.850 1.00 0.00 C ATOM 740 C VAL A 50 -10.084 -2.921 -9.681 1.00 0.00 C ATOM 741 O VAL A 50 -10.150 -1.765 -10.104 1.00 0.00 O ATOM 742 CB VAL A 50 -9.358 -3.884 -7.473 1.00 0.00 C ATOM 743 CG1 VAL A 50 -8.183 -4.427 -6.670 1.00 0.00 C ATOM 744 CG2 VAL A 50 -10.075 -2.788 -6.698 1.00 0.00 C ATOM 0 H VAL A 50 -8.154 -1.622 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.377 -4.188 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.064 -4.697 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.537 -4.785 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.719 -5.250 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.450 -3.635 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.398 -3.177 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.397 -1.949 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.945 -2.452 -7.263 1.00 0.00 H new ATOM 754 N SER A 51 -11.033 -3.818 -9.893 1.00 0.00 N ATOM 755 CA SER A 51 -12.176 -3.528 -10.742 1.00 0.00 C ATOM 756 C SER A 51 -13.377 -3.130 -9.890 1.00 0.00 C ATOM 757 CB SER A 51 -12.520 -4.756 -11.587 1.00 0.00 C ATOM 758 OG SER A 51 -11.357 -5.316 -12.178 1.00 0.00 O ATOM 0 H SER A 51 -11.034 -4.754 -9.488 1.00 0.00 H new ATOM 0 HA SER A 51 -11.924 -2.699 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.010 -5.504 -10.963 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.229 -4.477 -12.367 1.00 0.00 H new ATOM 0 HG SER A 51 -11.606 -6.100 -12.711 1.00 0.00 H new TER 764 SER A 51 HETATM 765 ZN ZN A 101 5.125 -4.542 5.140 1.00 0.00 ZN