USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 270 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 23 ASN : amide:sc= 0.618 K(o=1.3,f=-5.5!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -161:sc= 0.684 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 9:sc= 0.0762 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -134:sc=-0.00192 (180deg=-1.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -2.938 -3.104 -8.550 1.00 0.00 N ATOM 40 CA LYS A 3 -3.169 -4.050 -9.762 1.00 0.00 C ATOM 41 C LYS A 3 -2.485 -3.476 -10.981 1.00 0.00 C ATOM 42 O LYS A 3 -2.950 -2.652 -11.682 1.00 0.00 O ATOM 43 CB LYS A 3 -4.719 -4.267 -10.013 1.00 0.00 C ATOM 44 CG LYS A 3 -5.461 -5.033 -8.895 1.00 0.00 C ATOM 45 CD LYS A 3 -6.853 -5.445 -9.365 1.00 0.00 C ATOM 46 CE LYS A 3 -7.551 -6.081 -8.175 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.825 -6.616 -8.661 1.00 0.00 N ATOM 0 HA LYS A 3 -2.737 -5.028 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.191 -3.293 -10.140 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.848 -4.808 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.890 -5.917 -8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.541 -4.406 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.411 -4.580 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.788 -6.148 -10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.938 -6.874 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.717 -5.346 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.337 -7.062 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.399 -5.843 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.645 -7.323 -9.402 1.00 0.00 H new ATOM 60 N CYS A 4 -1.272 -3.984 -11.316 1.00 0.00 N ATOM 61 CA CYS A 4 -0.216 -3.282 -12.114 1.00 0.00 C ATOM 62 C CYS A 4 0.147 -3.926 -13.518 1.00 0.00 C ATOM 63 O CYS A 4 -0.542 -4.873 -13.837 1.00 0.00 O ATOM 64 CB CYS A 4 0.951 -3.059 -11.100 1.00 0.00 C ATOM 65 SG CYS A 4 0.259 -2.115 -9.656 1.00 0.00 S ATOM 0 H CYS A 4 -0.986 -4.921 -11.033 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.570 -2.327 -12.502 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.363 -4.014 -10.773 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.765 -2.504 -11.567 1.00 0.00 H new ATOM 70 N PRO A 5 1.042 -3.415 -14.464 1.00 0.00 N ATOM 71 CA PRO A 5 2.065 -2.346 -14.203 1.00 0.00 C ATOM 72 C PRO A 5 1.790 -0.906 -13.717 1.00 0.00 C ATOM 73 O PRO A 5 2.594 -0.304 -12.984 1.00 0.00 O ATOM 74 CB PRO A 5 2.998 -2.398 -15.474 1.00 0.00 C ATOM 75 CG PRO A 5 2.719 -3.733 -16.159 1.00 0.00 C ATOM 76 CD PRO A 5 1.340 -4.202 -15.666 1.00 0.00 C ATOM 0 HA PRO A 5 2.459 -2.622 -13.225 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.787 -1.566 -16.145 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.047 -2.319 -15.189 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.725 -3.621 -17.243 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.488 -4.464 -15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.580 -4.046 -16.431 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.350 -5.268 -15.440 1.00 0.00 H new ATOM 84 N GLY A 6 0.700 -0.230 -14.169 1.00 0.00 N ATOM 85 CA GLY A 6 0.507 1.263 -13.928 1.00 0.00 C ATOM 86 C GLY A 6 -0.737 1.648 -13.119 1.00 0.00 C ATOM 87 O GLY A 6 -1.809 1.688 -13.765 1.00 0.00 O ATOM 0 H GLY A 6 -0.057 -0.667 -14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.387 1.646 -13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.460 1.766 -14.894 1.00 0.00 H new ATOM 91 N ARG A 7 -0.547 1.998 -11.821 1.00 0.00 N ATOM 92 CA ARG A 7 -1.711 2.231 -10.890 1.00 0.00 C ATOM 93 C ARG A 7 -1.191 2.805 -9.578 1.00 0.00 C ATOM 94 O ARG A 7 -0.367 2.196 -8.912 1.00 0.00 O ATOM 95 CB ARG A 7 -2.569 0.970 -10.695 1.00 0.00 C ATOM 96 CG ARG A 7 -3.524 0.720 -9.476 1.00 0.00 C ATOM 97 CD ARG A 7 -4.866 -0.016 -9.692 1.00 0.00 C ATOM 98 NE ARG A 7 -5.543 -0.401 -8.449 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.769 -0.915 -8.277 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.571 -0.976 -9.287 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.130 -1.427 -7.175 1.00 0.00 N ATOM 0 H ARG A 7 0.370 2.125 -11.392 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.386 2.958 -11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.191 0.888 -11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.876 0.129 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.961 0.158 -8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.752 1.691 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.530 0.624 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.686 -0.911 -10.288 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.005 -0.257 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.268 -0.636 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.507 -1.364 -9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.481 -1.456 -6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.070 -1.810 -7.074 1.00 0.00 H new ATOM 114 N CYS A 8 -1.735 3.903 -9.143 1.00 0.00 N ATOM 115 CA CYS A 8 -1.676 4.335 -7.714 1.00 0.00 C ATOM 116 C CYS A 8 -3.149 4.809 -7.281 1.00 0.00 C ATOM 117 O CYS A 8 -3.629 4.560 -6.172 1.00 0.00 O ATOM 118 CB CYS A 8 -0.525 5.346 -7.732 1.00 0.00 C ATOM 119 SG CYS A 8 0.026 5.659 -5.988 1.00 0.00 S ATOM 0 H CYS A 8 -2.242 4.551 -9.746 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.450 3.600 -6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.304 4.963 -8.326 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.848 6.277 -8.198 1.00 0.00 H new ATOM 124 N THR A 9 -3.905 5.508 -8.106 1.00 0.00 N ATOM 125 CA THR A 9 -5.260 5.102 -8.533 1.00 0.00 C ATOM 126 C THR A 9 -5.326 4.795 -10.049 1.00 0.00 C ATOM 127 O THR A 9 -5.389 3.645 -10.474 1.00 0.00 O ATOM 128 CB THR A 9 -6.381 6.138 -8.025 1.00 0.00 C ATOM 129 OG1 THR A 9 -6.354 6.182 -6.621 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.823 5.677 -8.459 1.00 0.00 C ATOM 0 H THR A 9 -3.603 6.393 -8.514 1.00 0.00 H new ATOM 0 HA THR A 9 -5.493 4.157 -8.042 1.00 0.00 H new ATOM 0 HB THR A 9 -6.166 7.112 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.574 5.687 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.558 6.397 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.874 5.616 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.036 4.698 -8.031 1.00 0.00 H new ATOM 138 N LEU A 10 -5.135 5.828 -10.951 1.00 0.00 N ATOM 139 CA LEU A 10 -4.945 5.691 -12.419 1.00 0.00 C ATOM 140 C LEU A 10 -3.497 6.169 -12.832 1.00 0.00 C ATOM 141 O LEU A 10 -2.503 5.952 -12.080 1.00 0.00 O ATOM 142 CB LEU A 10 -6.223 6.394 -13.082 1.00 0.00 C ATOM 143 CG LEU A 10 -6.663 7.852 -12.814 1.00 0.00 C ATOM 144 CD1 LEU A 10 -5.510 8.892 -12.709 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.793 8.379 -13.732 1.00 0.00 C ATOM 0 H LEU A 10 -5.111 6.802 -10.649 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.934 4.670 -12.801 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.085 6.315 -14.160 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.078 5.769 -12.824 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.086 7.758 -11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.928 9.881 -12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.845 8.617 -11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.948 8.908 -13.643 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.029 9.409 -13.464 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.466 8.340 -14.771 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.681 7.759 -13.608 1.00 0.00 H new ATOM 157 N LYS A 11 -3.312 6.976 -13.958 1.00 0.00 N ATOM 158 CA LYS A 11 -1.989 7.153 -14.717 1.00 0.00 C ATOM 159 C LYS A 11 -1.130 8.465 -14.422 1.00 0.00 C ATOM 160 O LYS A 11 -1.654 9.483 -14.077 1.00 0.00 O ATOM 161 CB LYS A 11 -2.255 7.006 -16.284 1.00 0.00 C ATOM 162 CG LYS A 11 -1.129 6.144 -16.960 1.00 0.00 C ATOM 163 CD LYS A 11 -1.385 5.943 -18.482 1.00 0.00 C ATOM 164 CE LYS A 11 -0.266 5.179 -19.155 1.00 0.00 C ATOM 165 NZ LYS A 11 -0.458 5.007 -20.596 1.00 0.00 N ATOM 0 H LYS A 11 -4.073 7.520 -14.364 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.355 6.357 -14.326 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.226 6.540 -16.451 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.291 7.993 -16.746 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.164 6.630 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.073 5.172 -16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.324 5.408 -18.623 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.498 6.916 -18.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.675 5.702 -18.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.176 4.198 -18.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.344 4.476 -20.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.339 4.483 -20.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.515 5.940 -21.052 1.00 0.00 H new ATOM 178 N CYS A 12 0.179 8.369 -14.622 1.00 0.00 N ATOM 179 CA CYS A 12 1.162 9.499 -14.499 1.00 0.00 C ATOM 180 C CYS A 12 0.992 10.805 -15.351 1.00 0.00 C ATOM 181 O CYS A 12 0.235 10.807 -16.375 1.00 0.00 O ATOM 182 CB CYS A 12 2.536 8.913 -14.411 1.00 0.00 C ATOM 183 SG CYS A 12 3.087 8.593 -12.705 1.00 0.00 S ATOM 0 H CYS A 12 0.623 7.489 -14.883 1.00 0.00 H new ATOM 0 HA CYS A 12 0.907 10.009 -13.570 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.560 7.979 -14.972 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.242 9.591 -14.890 1.00 0.00 H new ATOM 188 N GLY A 13 1.475 11.947 -14.759 1.00 0.00 N ATOM 189 CA GLY A 13 1.367 13.302 -15.347 1.00 0.00 C ATOM 190 C GLY A 13 2.423 14.319 -14.896 1.00 0.00 C ATOM 191 O GLY A 13 3.218 14.738 -15.704 1.00 0.00 O ATOM 0 H GLY A 13 1.950 11.939 -13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.420 13.211 -16.432 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.381 13.702 -15.109 1.00 0.00 H new ATOM 195 N LYS A 14 2.414 14.642 -13.614 1.00 0.00 N ATOM 196 CA LYS A 14 3.360 15.703 -13.037 1.00 0.00 C ATOM 197 C LYS A 14 4.916 15.338 -12.917 1.00 0.00 C ATOM 198 O LYS A 14 5.667 15.900 -13.668 1.00 0.00 O ATOM 199 CB LYS A 14 2.715 16.248 -11.692 1.00 0.00 C ATOM 200 CG LYS A 14 1.357 17.020 -11.644 1.00 0.00 C ATOM 201 CD LYS A 14 0.976 17.655 -10.294 1.00 0.00 C ATOM 202 CE LYS A 14 -0.286 18.533 -10.386 1.00 0.00 C ATOM 203 NZ LYS A 14 -0.544 19.212 -9.102 1.00 0.00 N ATOM 0 H LYS A 14 1.790 14.219 -12.927 1.00 0.00 H new ATOM 0 HA LYS A 14 3.431 16.493 -13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.603 15.387 -11.033 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.458 16.903 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.386 17.808 -12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.563 16.332 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.812 16.867 -9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.809 18.259 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.163 19.274 -11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.144 17.918 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.399 19.799 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.683 18.502 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.268 19.815 -8.859 1.00 0.00 H new ATOM 216 N HIS A 15 5.387 14.442 -12.076 1.00 0.00 N ATOM 217 CA HIS A 15 6.815 14.095 -11.949 1.00 0.00 C ATOM 218 C HIS A 15 6.865 12.555 -11.746 1.00 0.00 C ATOM 219 O HIS A 15 6.661 12.051 -10.649 1.00 0.00 O ATOM 220 CB HIS A 15 7.564 14.988 -10.920 1.00 0.00 C ATOM 221 CG HIS A 15 9.006 14.991 -10.809 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.903 14.117 -11.397 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.826 15.986 -10.155 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.094 14.649 -11.033 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.118 15.808 -10.358 1.00 0.00 N ATOM 0 H HIS A 15 4.787 13.915 -11.441 1.00 0.00 H new ATOM 0 HA HIS A 15 7.391 14.325 -12.845 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.263 16.016 -11.120 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.174 14.727 -9.936 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.423 16.793 -9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.016 14.145 -11.284 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.910 16.387 -10.080 1.00 0.00 H new ATOM 233 N GLU A 16 7.001 11.901 -12.894 1.00 0.00 N ATOM 234 CA GLU A 16 6.287 10.616 -13.130 1.00 0.00 C ATOM 235 C GLU A 16 7.200 9.386 -12.713 1.00 0.00 C ATOM 236 O GLU A 16 8.263 9.132 -13.291 1.00 0.00 O ATOM 237 CB GLU A 16 5.923 10.708 -14.629 1.00 0.00 C ATOM 238 CG GLU A 16 4.996 11.900 -14.999 1.00 0.00 C ATOM 239 CD GLU A 16 4.481 11.773 -16.431 1.00 0.00 C ATOM 240 OE1 GLU A 16 3.710 10.831 -16.723 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.706 12.858 -17.266 1.00 0.00 O ATOM 0 H GLU A 16 7.582 12.216 -13.671 1.00 0.00 H new ATOM 0 HA GLU A 16 5.392 10.454 -12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.843 10.787 -15.208 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.436 9.780 -14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.154 11.937 -14.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.541 12.837 -14.887 1.00 0.00 H new ATOM 249 N ARG A 17 6.825 8.764 -11.588 1.00 0.00 N ATOM 250 CA ARG A 17 7.808 8.228 -10.540 1.00 0.00 C ATOM 251 C ARG A 17 7.273 6.862 -9.978 1.00 0.00 C ATOM 252 O ARG A 17 6.164 6.865 -9.439 1.00 0.00 O ATOM 253 CB ARG A 17 8.053 9.330 -9.499 1.00 0.00 C ATOM 254 CG ARG A 17 9.226 8.988 -8.498 1.00 0.00 C ATOM 255 CD ARG A 17 10.572 9.689 -8.743 1.00 0.00 C ATOM 256 NE ARG A 17 11.472 8.764 -9.580 1.00 0.00 N ATOM 257 CZ ARG A 17 11.573 8.662 -10.862 1.00 0.00 C ATOM 258 NH1 ARG A 17 10.879 9.375 -11.737 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.392 7.741 -11.349 1.00 0.00 N ATOM 0 H ARG A 17 5.848 8.601 -11.346 1.00 0.00 H new ATOM 0 HA ARG A 17 8.786 7.993 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.283 10.263 -10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.137 9.496 -8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.894 9.233 -7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.394 7.911 -8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.415 10.634 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.053 9.924 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 17 12.076 8.141 -9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.204 10.067 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.020 9.232 -12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.918 7.140 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.496 7.633 -12.358 1.00 0.00 H new ATOM 272 N PRO A 18 8.018 5.663 -9.942 1.00 0.00 N ATOM 273 CA PRO A 18 7.608 4.494 -9.116 1.00 0.00 C ATOM 274 C PRO A 18 7.634 4.616 -7.581 1.00 0.00 C ATOM 275 O PRO A 18 8.564 5.182 -7.012 1.00 0.00 O ATOM 276 CB PRO A 18 8.604 3.424 -9.589 1.00 0.00 C ATOM 277 CG PRO A 18 9.919 4.218 -9.962 1.00 0.00 C ATOM 278 CD PRO A 18 9.300 5.483 -10.614 1.00 0.00 C ATOM 0 HA PRO A 18 6.545 4.304 -9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.796 2.691 -8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.216 2.878 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.524 4.455 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.557 3.665 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.943 6.353 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.168 5.350 -11.688 1.00 0.00 H new ATOM 286 N THR A 19 6.629 3.991 -6.905 1.00 0.00 N ATOM 287 CA THR A 19 6.707 3.836 -5.401 1.00 0.00 C ATOM 288 C THR A 19 6.650 5.070 -4.494 1.00 0.00 C ATOM 289 O THR A 19 6.115 4.936 -3.402 1.00 0.00 O ATOM 290 CB THR A 19 7.715 2.700 -4.956 1.00 0.00 C ATOM 291 OG1 THR A 19 7.462 1.597 -5.905 1.00 0.00 O ATOM 292 CG2 THR A 19 7.353 2.212 -3.570 1.00 0.00 C ATOM 0 H THR A 19 5.792 3.601 -7.338 1.00 0.00 H new ATOM 0 HA THR A 19 5.698 3.487 -5.180 1.00 0.00 H new ATOM 0 HB THR A 19 8.748 3.047 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.054 0.844 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.049 1.430 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.410 3.042 -2.866 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.339 1.812 -3.578 1.00 0.00 H new ATOM 300 N LEU A 20 7.195 6.237 -4.862 1.00 0.00 N ATOM 301 CA LEU A 20 7.233 7.351 -3.937 1.00 0.00 C ATOM 302 C LEU A 20 5.842 8.153 -3.830 1.00 0.00 C ATOM 303 O LEU A 20 5.332 8.493 -4.913 1.00 0.00 O ATOM 304 CB LEU A 20 8.304 8.410 -4.420 1.00 0.00 C ATOM 305 CG LEU A 20 9.719 7.899 -4.799 1.00 0.00 C ATOM 306 CD1 LEU A 20 10.738 9.064 -4.742 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.271 6.664 -3.978 1.00 0.00 C ATOM 0 H LEU A 20 7.605 6.422 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 20 7.469 6.911 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.893 8.928 -5.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.418 9.152 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 20 9.599 7.517 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.728 8.695 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.439 9.843 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.765 9.475 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.267 6.404 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.324 6.924 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.604 5.812 -4.109 1.00 0.00 H new ATOM 319 N PRO A 21 5.317 8.555 -2.640 1.00 0.00 N ATOM 320 CA PRO A 21 4.174 9.507 -2.594 1.00 0.00 C ATOM 321 C PRO A 21 4.669 11.048 -2.645 1.00 0.00 C ATOM 322 O PRO A 21 5.142 11.680 -1.703 1.00 0.00 O ATOM 323 CB PRO A 21 3.489 9.189 -1.260 1.00 0.00 C ATOM 324 CG PRO A 21 4.602 8.658 -0.404 1.00 0.00 C ATOM 325 CD PRO A 21 5.572 7.938 -1.363 1.00 0.00 C ATOM 0 HA PRO A 21 3.509 9.396 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.036 10.078 -0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.694 8.454 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.106 9.466 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.219 7.972 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.609 8.070 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.382 6.865 -1.392 1.00 0.00 H new ATOM 333 N TYR A 22 4.635 11.597 -3.873 1.00 0.00 N ATOM 334 CA TYR A 22 5.628 12.519 -4.367 1.00 0.00 C ATOM 335 C TYR A 22 4.984 13.799 -5.069 1.00 0.00 C ATOM 336 O TYR A 22 5.040 14.945 -4.569 1.00 0.00 O ATOM 337 CB TYR A 22 6.459 11.511 -5.251 1.00 0.00 C ATOM 338 CG TYR A 22 7.581 11.963 -6.102 1.00 0.00 C ATOM 339 CD1 TYR A 22 8.774 12.269 -5.420 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.466 12.154 -7.472 1.00 0.00 C ATOM 341 CE1 TYR A 22 9.944 12.437 -6.122 1.00 0.00 C ATOM 342 CE2 TYR A 22 8.638 12.498 -8.163 1.00 0.00 C ATOM 343 CZ TYR A 22 9.875 12.696 -7.523 1.00 0.00 C ATOM 344 OH TYR A 22 10.945 13.040 -8.342 1.00 0.00 O ATOM 0 H TYR A 22 3.897 11.397 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 22 6.251 13.043 -3.642 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.860 10.756 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.749 11.007 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.770 12.372 -4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.520 12.043 -7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.899 12.374 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.588 12.616 -9.235 1.00 0.00 H new ATOM 0 HH TYR A 22 11.767 12.638 -7.992 1.00 0.00 H new ATOM 354 N ASN A 23 4.514 13.659 -6.339 1.00 0.00 N ATOM 355 CA ASN A 23 4.347 14.710 -7.341 1.00 0.00 C ATOM 356 C ASN A 23 3.379 14.124 -8.509 1.00 0.00 C ATOM 357 O ASN A 23 2.212 14.455 -8.667 1.00 0.00 O ATOM 358 CB ASN A 23 5.575 15.347 -7.952 1.00 0.00 C ATOM 359 CG ASN A 23 6.505 16.221 -7.132 1.00 0.00 C ATOM 360 OD1 ASN A 23 6.205 17.351 -6.764 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.634 15.754 -6.709 1.00 0.00 N ATOM 0 H ASN A 23 4.229 12.747 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 23 3.926 15.548 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.180 14.539 -8.363 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.234 15.950 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.224 16.321 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.934 14.819 -6.984 1.00 0.00 H new ATOM 368 N CYS A 24 3.844 12.942 -9.106 1.00 0.00 N ATOM 369 CA CYS A 24 3.008 11.805 -9.500 1.00 0.00 C ATOM 370 C CYS A 24 2.392 11.038 -8.308 1.00 0.00 C ATOM 371 O CYS A 24 2.140 11.649 -7.301 1.00 0.00 O ATOM 372 CB CYS A 24 3.814 11.007 -10.552 1.00 0.00 C ATOM 373 SG CYS A 24 2.543 10.124 -11.449 1.00 0.00 S ATOM 0 H CYS A 24 4.832 12.793 -9.312 1.00 0.00 H new ATOM 0 HA CYS A 24 2.082 12.120 -9.981 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.386 11.665 -11.206 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.525 10.326 -10.084 1.00 0.00 H new ATOM 378 N GLY A 25 2.115 9.758 -8.383 1.00 0.00 N ATOM 379 CA GLY A 25 1.141 9.054 -7.547 1.00 0.00 C ATOM 380 C GLY A 25 1.295 9.260 -6.079 1.00 0.00 C ATOM 381 O GLY A 25 2.164 8.692 -5.517 1.00 0.00 O ATOM 0 H GLY A 25 2.576 9.142 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.140 9.371 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.211 7.987 -7.757 1.00 0.00 H new ATOM 385 N LYS A 26 0.460 10.083 -5.428 1.00 0.00 N ATOM 386 CA LYS A 26 0.489 10.194 -3.904 1.00 0.00 C ATOM 387 C LYS A 26 -0.276 9.079 -3.089 1.00 0.00 C ATOM 388 O LYS A 26 -0.608 9.340 -1.968 1.00 0.00 O ATOM 389 CB LYS A 26 0.206 11.643 -3.456 1.00 0.00 C ATOM 390 CG LYS A 26 0.457 12.120 -1.996 1.00 0.00 C ATOM 391 CD LYS A 26 0.761 13.603 -1.905 1.00 0.00 C ATOM 392 CE LYS A 26 2.216 13.938 -1.868 1.00 0.00 C ATOM 393 NZ LYS A 26 2.499 15.412 -1.869 1.00 0.00 N ATOM 0 H LYS A 26 -0.233 10.676 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 26 1.514 9.955 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.794 12.293 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.843 11.840 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.421 11.896 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.289 11.557 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.307 14.107 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.286 14.004 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.659 13.493 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.706 13.483 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.252 15.620 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.637 15.931 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.805 15.707 -0.920 1.00 0.00 H new ATOM 406 N TYR A 27 -0.532 7.882 -3.699 1.00 0.00 N ATOM 407 CA TYR A 27 -1.563 6.908 -3.306 1.00 0.00 C ATOM 408 C TYR A 27 -1.117 5.479 -2.965 1.00 0.00 C ATOM 409 O TYR A 27 -0.300 5.248 -2.089 1.00 0.00 O ATOM 410 CB TYR A 27 -2.767 7.048 -4.260 1.00 0.00 C ATOM 411 CG TYR A 27 -3.365 8.429 -4.705 1.00 0.00 C ATOM 412 CD1 TYR A 27 -4.297 9.060 -3.918 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.021 9.044 -5.872 1.00 0.00 C ATOM 414 CE1 TYR A 27 -4.789 10.363 -4.246 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.459 10.318 -6.190 1.00 0.00 C ATOM 416 CZ TYR A 27 -4.329 11.004 -5.356 1.00 0.00 C ATOM 417 OH TYR A 27 -4.720 12.286 -5.706 1.00 0.00 O ATOM 0 H TYR A 27 0.004 7.570 -4.509 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.882 7.178 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.496 6.522 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.586 6.492 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.666 8.563 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.386 8.520 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.525 10.838 -3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.118 10.785 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.269 12.551 -6.535 1.00 0.00 H new ATOM 427 N ILE A 28 -1.470 4.437 -3.771 1.00 0.00 N ATOM 428 CA ILE A 28 -0.850 3.040 -3.620 1.00 0.00 C ATOM 429 C ILE A 28 0.121 2.693 -4.815 1.00 0.00 C ATOM 430 O ILE A 28 -0.156 1.982 -5.793 1.00 0.00 O ATOM 431 CB ILE A 28 -2.021 1.973 -3.395 1.00 0.00 C ATOM 432 CG1 ILE A 28 -3.218 1.940 -4.408 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.566 1.995 -1.943 1.00 0.00 C ATOM 434 CD1 ILE A 28 -3.100 1.465 -5.868 1.00 0.00 C ATOM 0 H ILE A 28 -2.159 4.509 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.209 3.012 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.484 1.048 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.988 1.321 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.609 2.957 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.359 1.254 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.759 1.762 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.964 2.985 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.072 1.541 -6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.379 2.089 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.765 0.428 -5.887 1.00 0.00 H new ATOM 446 N CYS A 29 1.437 3.205 -4.788 1.00 0.00 N ATOM 447 CA CYS A 29 2.194 3.413 -6.058 1.00 0.00 C ATOM 448 C CYS A 29 2.990 2.202 -6.610 1.00 0.00 C ATOM 449 O CYS A 29 4.007 1.727 -5.998 1.00 0.00 O ATOM 450 CB CYS A 29 3.026 4.678 -5.766 1.00 0.00 C ATOM 451 SG CYS A 29 2.004 6.152 -6.016 1.00 0.00 S ATOM 0 H CYS A 29 1.942 3.458 -3.939 1.00 0.00 H new ATOM 0 HA CYS A 29 1.519 3.537 -6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.399 4.651 -4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.896 4.712 -6.421 1.00 0.00 H new ATOM 456 N CYS A 30 2.549 1.627 -7.740 1.00 0.00 N ATOM 457 CA CYS A 30 3.432 0.973 -8.739 1.00 0.00 C ATOM 458 C CYS A 30 4.333 1.853 -9.727 1.00 0.00 C ATOM 459 O CYS A 30 5.295 2.419 -9.200 1.00 0.00 O ATOM 460 CB CYS A 30 2.376 0.136 -9.594 1.00 0.00 C ATOM 461 SG CYS A 30 1.866 -1.307 -8.704 1.00 0.00 S ATOM 0 H CYS A 30 1.562 1.599 -7.995 1.00 0.00 H new ATOM 0 HA CYS A 30 4.216 0.446 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.509 0.756 -9.821 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.818 -0.154 -10.547 1.00 0.00 H new ATOM 466 N VAL A 31 4.091 2.010 -11.048 1.00 0.00 N ATOM 467 CA VAL A 31 4.924 2.983 -11.882 1.00 0.00 C ATOM 468 C VAL A 31 4.362 3.939 -12.993 1.00 0.00 C ATOM 469 O VAL A 31 4.641 5.164 -12.952 1.00 0.00 O ATOM 470 CB VAL A 31 6.315 2.305 -12.216 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.208 0.959 -12.836 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.383 3.124 -12.970 1.00 0.00 C ATOM 0 H VAL A 31 3.366 1.513 -11.565 1.00 0.00 H new ATOM 0 HA VAL A 31 4.969 3.826 -11.192 1.00 0.00 H new ATOM 0 HB VAL A 31 6.694 2.227 -11.197 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.207 0.568 -13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.682 0.287 -12.158 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.657 1.033 -13.774 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.273 2.513 -13.118 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.989 3.431 -13.939 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.643 4.008 -12.387 1.00 0.00 H new ATOM 482 N PRO A 32 3.418 3.654 -13.958 1.00 0.00 N ATOM 483 CA PRO A 32 2.390 4.669 -14.408 1.00 0.00 C ATOM 484 C PRO A 32 1.267 5.059 -13.328 1.00 0.00 C ATOM 485 O PRO A 32 0.083 4.761 -13.447 1.00 0.00 O ATOM 486 CB PRO A 32 1.897 4.088 -15.751 1.00 0.00 C ATOM 487 CG PRO A 32 2.712 2.913 -16.110 1.00 0.00 C ATOM 488 CD PRO A 32 3.749 2.687 -15.014 1.00 0.00 C ATOM 0 HA PRO A 32 2.811 5.667 -14.532 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.847 3.805 -15.673 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.966 4.844 -16.533 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.079 2.032 -16.219 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.204 3.073 -17.069 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.707 1.665 -14.638 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.759 2.847 -15.390 1.00 0.00 H new ATOM 496 N VAL A 33 1.775 5.616 -12.225 1.00 0.00 N ATOM 497 CA VAL A 33 1.012 6.153 -11.043 1.00 0.00 C ATOM 498 C VAL A 33 0.176 7.486 -11.093 1.00 0.00 C ATOM 499 O VAL A 33 0.602 8.400 -11.772 1.00 0.00 O ATOM 500 CB VAL A 33 2.012 6.137 -9.945 1.00 0.00 C ATOM 501 CG1 VAL A 33 2.648 4.808 -9.495 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.038 7.257 -9.976 1.00 0.00 C ATOM 0 H VAL A 33 2.782 5.721 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 33 0.139 5.508 -10.939 1.00 0.00 H new ATOM 0 HB VAL A 33 1.300 6.334 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.352 4.997 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.868 4.131 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.175 4.354 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.719 7.150 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.604 7.207 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.529 8.219 -9.913 1.00 0.00 H new ATOM 512 N LYS A 34 -0.948 7.730 -10.342 1.00 0.00 N ATOM 513 CA LYS A 34 -1.643 9.071 -10.359 1.00 0.00 C ATOM 514 C LYS A 34 -0.898 10.442 -10.084 1.00 0.00 C ATOM 515 O LYS A 34 -0.035 10.838 -10.875 1.00 0.00 O ATOM 516 CB LYS A 34 -3.058 8.961 -9.611 1.00 0.00 C ATOM 517 CG LYS A 34 -4.164 10.029 -9.799 1.00 0.00 C ATOM 518 CD LYS A 34 -5.504 9.904 -9.006 1.00 0.00 C ATOM 519 CE LYS A 34 -6.312 11.249 -8.928 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.606 11.010 -8.181 1.00 0.00 N ATOM 0 H LYS A 34 -1.385 7.039 -9.732 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.723 9.222 -11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.492 8.003 -9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.847 8.909 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.728 10.997 -9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.415 10.055 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.126 9.142 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.288 9.560 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.722 12.013 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.521 11.620 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.145 11.898 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.169 10.294 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.395 10.674 -7.220 1.00 0.00 H new ATOM 533 N VAL A 35 -1.234 11.295 -9.087 1.00 0.00 N ATOM 534 CA VAL A 35 -0.703 12.710 -8.846 1.00 0.00 C ATOM 535 C VAL A 35 -0.537 13.027 -7.288 1.00 0.00 C ATOM 536 O VAL A 35 -1.125 12.422 -6.394 1.00 0.00 O ATOM 537 CB VAL A 35 -1.313 13.900 -9.663 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.238 13.657 -11.216 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.822 14.009 -9.386 1.00 0.00 C ATOM 0 H VAL A 35 -1.916 11.026 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 35 0.283 12.658 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.744 14.781 -9.365 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.673 14.509 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.197 13.540 -11.516 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.792 12.754 -11.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.238 14.839 -9.958 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.314 13.082 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.985 14.184 -8.322 1.00 0.00 H new ATOM 549 N LYS A 36 0.177 14.150 -6.985 1.00 0.00 N ATOM 550 CA LYS A 36 -0.027 14.884 -5.713 1.00 0.00 C ATOM 551 C LYS A 36 -1.287 15.763 -5.815 1.00 0.00 C ATOM 552 O LYS A 36 -1.689 16.392 -6.758 1.00 0.00 O ATOM 553 CB LYS A 36 1.283 15.654 -5.340 1.00 0.00 C ATOM 554 CG LYS A 36 1.539 17.022 -6.000 1.00 0.00 C ATOM 555 CD LYS A 36 2.652 17.729 -5.095 1.00 0.00 C ATOM 556 CE LYS A 36 2.917 19.137 -5.626 1.00 0.00 C ATOM 557 NZ LYS A 36 3.832 19.090 -6.715 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.864 15.876 -4.624 1.00 0.00 O ATOM 0 H LYS A 36 0.885 14.556 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.216 14.199 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.287 15.800 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.128 15.007 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.885 16.904 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.627 17.617 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.318 17.776 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.572 17.144 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.981 19.594 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.320 19.763 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.250 20.031 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.586 18.405 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.330 18.799 -7.578 1.00 0.00 H new