USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 290 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= 0.358 K(o=0.83,f=-0.17) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 176:sc= 0.472 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0608) USER MOD Single : A 15 HIS : no HD1:sc=-0.000493 K(o=-0.00049,f=-0.74) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 35:sc= 0.402 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.684 -2.690 -3.224 1.00 0.00 N ATOM 2 CA GLU A 1 -6.838 -3.656 -3.981 1.00 0.00 C ATOM 3 C GLU A 1 -5.768 -2.944 -4.924 1.00 0.00 C ATOM 4 O GLU A 1 -6.158 -2.157 -5.813 1.00 0.00 O ATOM 5 CB GLU A 1 -7.799 -4.671 -4.604 1.00 0.00 C ATOM 6 CG GLU A 1 -7.136 -5.710 -5.581 1.00 0.00 C ATOM 7 CD GLU A 1 -8.198 -6.242 -6.556 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.185 -6.123 -7.761 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.237 -6.827 -5.867 1.00 0.00 O ATOM 0 H1 GLU A 1 -8.359 -3.212 -2.629 1.00 0.00 H new ATOM 0 H2 GLU A 1 -7.079 -2.096 -2.622 1.00 0.00 H new ATOM 0 H3 GLU A 1 -8.205 -2.087 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 1 -6.156 -4.217 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -8.296 -5.217 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.573 -4.129 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.323 -5.239 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -6.702 -6.533 -5.014 1.00 0.00 H new ATOM 18 N LYS A 2 -4.433 -3.228 -4.869 1.00 0.00 N ATOM 19 CA LYS A 2 -3.457 -2.787 -5.947 1.00 0.00 C ATOM 20 C LYS A 2 -3.601 -3.794 -7.199 1.00 0.00 C ATOM 21 O LYS A 2 -3.666 -5.045 -7.064 1.00 0.00 O ATOM 22 CB LYS A 2 -2.033 -2.557 -5.359 1.00 0.00 C ATOM 23 CG LYS A 2 -1.180 -3.712 -4.834 1.00 0.00 C ATOM 24 CD LYS A 2 0.404 -3.588 -4.714 1.00 0.00 C ATOM 25 CE LYS A 2 0.871 -2.982 -3.319 1.00 0.00 C ATOM 26 NZ LYS A 2 2.366 -2.745 -3.358 1.00 0.00 N ATOM 0 H LYS A 2 -4.000 -3.751 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.692 -1.801 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.449 -2.061 -6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.142 -1.848 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.555 -3.957 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.383 -4.572 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.852 -4.573 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.777 -2.958 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.347 -2.047 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.620 -3.666 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.678 -2.349 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.856 -3.646 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.592 -2.077 -4.123 1.00 0.00 H new ATOM 39 N LYS A 3 -3.575 -3.222 -8.417 1.00 0.00 N ATOM 40 CA LYS A 3 -3.514 -3.949 -9.684 1.00 0.00 C ATOM 41 C LYS A 3 -2.397 -3.309 -10.605 1.00 0.00 C ATOM 42 O LYS A 3 -2.643 -2.385 -11.363 1.00 0.00 O ATOM 43 CB LYS A 3 -4.964 -3.952 -10.345 1.00 0.00 C ATOM 44 CG LYS A 3 -5.060 -5.070 -11.424 1.00 0.00 C ATOM 45 CD LYS A 3 -6.512 -5.446 -11.655 1.00 0.00 C ATOM 46 CE LYS A 3 -7.071 -4.650 -12.854 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.285 -5.284 -13.290 1.00 0.00 N ATOM 0 H LYS A 3 -3.597 -2.210 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.229 -4.990 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.721 -4.111 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.168 -2.981 -10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.612 -4.726 -12.356 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.496 -5.946 -11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.595 -6.516 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.099 -5.236 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.264 -3.617 -12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.343 -4.624 -13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.678 -4.762 -14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.082 -6.263 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.974 -5.286 -12.511 1.00 0.00 H new ATOM 60 N CYS A 4 -1.208 -3.902 -10.641 1.00 0.00 N ATOM 61 CA CYS A 4 -0.007 -3.360 -11.440 1.00 0.00 C ATOM 62 C CYS A 4 0.526 -4.228 -12.678 1.00 0.00 C ATOM 63 O CYS A 4 -0.077 -5.253 -12.951 1.00 0.00 O ATOM 64 CB CYS A 4 0.950 -3.298 -10.206 1.00 0.00 C ATOM 65 SG CYS A 4 0.311 -1.981 -9.073 1.00 0.00 S ATOM 0 H CYS A 4 -1.004 -4.766 -10.138 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.184 -2.449 -12.012 1.00 0.00 H new ATOM 0 HB2 CYS A 4 0.981 -4.261 -9.696 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.968 -3.072 -10.521 1.00 0.00 H new ATOM 70 N PRO A 5 1.529 -3.808 -13.623 1.00 0.00 N ATOM 71 CA PRO A 5 2.658 -2.821 -13.324 1.00 0.00 C ATOM 72 C PRO A 5 2.549 -1.237 -13.220 1.00 0.00 C ATOM 73 O PRO A 5 3.551 -0.563 -12.981 1.00 0.00 O ATOM 74 CB PRO A 5 3.733 -3.126 -14.430 1.00 0.00 C ATOM 75 CG PRO A 5 2.811 -3.545 -15.552 1.00 0.00 C ATOM 76 CD PRO A 5 1.692 -4.408 -14.928 1.00 0.00 C ATOM 0 HA PRO A 5 2.815 -3.019 -12.264 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.334 -2.253 -14.684 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.425 -3.916 -14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.390 -2.672 -16.050 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.357 -4.111 -16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.773 -4.366 -15.512 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.978 -5.457 -14.860 1.00 0.00 H new ATOM 84 N GLY A 6 1.411 -0.596 -13.457 1.00 0.00 N ATOM 85 CA GLY A 6 1.213 0.856 -13.215 1.00 0.00 C ATOM 86 C GLY A 6 -0.118 1.299 -12.609 1.00 0.00 C ATOM 87 O GLY A 6 -1.179 1.218 -13.277 1.00 0.00 O ATOM 0 H GLY A 6 0.582 -1.061 -13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.012 1.199 -12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.338 1.375 -14.165 1.00 0.00 H new ATOM 91 N ARG A 7 -0.091 1.788 -11.375 1.00 0.00 N ATOM 92 CA ARG A 7 -1.320 2.046 -10.574 1.00 0.00 C ATOM 93 C ARG A 7 -0.908 2.702 -9.222 1.00 0.00 C ATOM 94 O ARG A 7 -0.242 2.035 -8.404 1.00 0.00 O ATOM 95 CB ARG A 7 -2.100 0.713 -10.414 1.00 0.00 C ATOM 96 CG ARG A 7 -3.380 0.785 -9.582 1.00 0.00 C ATOM 97 CD ARG A 7 -4.654 0.191 -10.225 1.00 0.00 C ATOM 98 NE ARG A 7 -5.672 -0.224 -9.237 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.880 -0.752 -9.482 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.318 -1.059 -10.646 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.745 -0.841 -8.534 1.00 0.00 N ATOM 0 H ARG A 7 0.773 2.022 -10.886 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.993 2.746 -11.070 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.355 0.342 -11.407 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.435 -0.022 -9.960 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.203 0.270 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.574 1.831 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.091 0.930 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.377 -0.670 -10.834 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.427 -0.094 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.734 -0.905 -11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.251 -1.458 -10.751 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.511 -0.510 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.664 -1.242 -8.719 1.00 0.00 H new ATOM 114 N CYS A 8 -1.441 3.889 -8.969 1.00 0.00 N ATOM 115 CA CYS A 8 -1.338 4.490 -7.627 1.00 0.00 C ATOM 116 C CYS A 8 -2.759 4.934 -7.096 1.00 0.00 C ATOM 117 O CYS A 8 -3.116 4.582 -5.959 1.00 0.00 O ATOM 118 CB CYS A 8 -0.197 5.547 -7.414 1.00 0.00 C ATOM 119 SG CYS A 8 0.215 5.566 -5.758 1.00 0.00 S ATOM 0 H CYS A 8 -1.942 4.454 -9.654 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.982 3.687 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.673 5.293 -8.019 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.530 6.534 -7.734 1.00 0.00 H new ATOM 124 N THR A 9 -3.507 5.589 -8.005 1.00 0.00 N ATOM 125 CA THR A 9 -4.846 4.973 -8.398 1.00 0.00 C ATOM 126 C THR A 9 -4.829 4.684 -9.915 1.00 0.00 C ATOM 127 O THR A 9 -4.589 3.569 -10.398 1.00 0.00 O ATOM 128 CB THR A 9 -6.084 5.841 -7.795 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.873 6.272 -6.480 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.361 5.031 -7.708 1.00 0.00 C ATOM 0 H THR A 9 -3.262 6.468 -8.462 1.00 0.00 H new ATOM 0 HA THR A 9 -5.013 3.999 -7.938 1.00 0.00 H new ATOM 0 HB THR A 9 -6.159 6.680 -8.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.649 6.788 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.159 5.652 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.642 4.687 -8.703 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.203 4.171 -7.058 1.00 0.00 H new ATOM 138 N LEU A 10 -5.052 5.704 -10.776 1.00 0.00 N ATOM 139 CA LEU A 10 -4.826 5.618 -12.251 1.00 0.00 C ATOM 140 C LEU A 10 -3.304 5.745 -12.674 1.00 0.00 C ATOM 141 O LEU A 10 -2.412 5.338 -11.940 1.00 0.00 O ATOM 142 CB LEU A 10 -5.881 6.462 -12.999 1.00 0.00 C ATOM 143 CG LEU A 10 -6.218 7.917 -12.577 1.00 0.00 C ATOM 144 CD1 LEU A 10 -5.029 8.751 -12.956 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.450 8.494 -13.300 1.00 0.00 C ATOM 0 H LEU A 10 -5.395 6.616 -10.473 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.013 4.603 -12.601 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.570 6.501 -14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.815 5.900 -12.965 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.443 7.925 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.211 9.790 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.146 8.386 -12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.865 8.684 -14.032 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.629 9.513 -12.958 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.272 8.498 -14.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.323 7.879 -13.079 1.00 0.00 H new ATOM 157 N LYS A 11 -3.105 6.305 -13.924 1.00 0.00 N ATOM 158 CA LYS A 11 -1.766 6.565 -14.584 1.00 0.00 C ATOM 159 C LYS A 11 -1.241 8.054 -14.391 1.00 0.00 C ATOM 160 O LYS A 11 -1.885 8.912 -13.766 1.00 0.00 O ATOM 161 CB LYS A 11 -2.135 6.091 -16.073 1.00 0.00 C ATOM 162 CG LYS A 11 -1.050 5.697 -17.131 1.00 0.00 C ATOM 163 CD LYS A 11 -1.567 5.732 -18.610 1.00 0.00 C ATOM 164 CE LYS A 11 -0.764 4.894 -19.594 1.00 0.00 C ATOM 165 NZ LYS A 11 -1.078 5.036 -21.053 1.00 0.00 N ATOM 0 H LYS A 11 -3.888 6.593 -14.511 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.900 6.046 -14.174 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.795 5.230 -15.970 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.725 6.893 -16.517 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.201 6.374 -17.037 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.685 4.695 -16.907 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.602 5.390 -18.625 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.568 6.766 -18.954 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.290 5.132 -19.454 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.893 3.846 -19.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.457 4.409 -21.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.071 4.776 -21.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.924 6.022 -21.347 1.00 0.00 H new ATOM 178 N CYS A 12 -0.024 8.338 -14.959 1.00 0.00 N ATOM 179 CA CYS A 12 0.861 9.421 -14.486 1.00 0.00 C ATOM 180 C CYS A 12 0.656 10.775 -15.200 1.00 0.00 C ATOM 181 O CYS A 12 -0.043 11.031 -16.145 1.00 0.00 O ATOM 182 CB CYS A 12 2.352 8.836 -14.612 1.00 0.00 C ATOM 183 SG CYS A 12 3.007 8.645 -12.918 1.00 0.00 S ATOM 0 H CYS A 12 0.355 7.818 -15.751 1.00 0.00 H new ATOM 0 HA CYS A 12 0.626 9.686 -13.455 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.346 7.878 -15.132 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.981 9.510 -15.193 1.00 0.00 H new ATOM 188 N GLY A 13 1.307 11.722 -14.490 1.00 0.00 N ATOM 189 CA GLY A 13 1.031 13.182 -14.631 1.00 0.00 C ATOM 190 C GLY A 13 2.183 14.214 -14.463 1.00 0.00 C ATOM 191 O GLY A 13 2.981 14.405 -15.405 1.00 0.00 O ATOM 0 H GLY A 13 2.033 11.506 -13.807 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.600 13.336 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.259 13.437 -13.905 1.00 0.00 H new ATOM 195 N LYS A 14 2.348 14.729 -13.218 1.00 0.00 N ATOM 196 CA LYS A 14 3.156 15.901 -12.950 1.00 0.00 C ATOM 197 C LYS A 14 4.701 15.590 -12.961 1.00 0.00 C ATOM 198 O LYS A 14 5.413 16.210 -13.755 1.00 0.00 O ATOM 199 CB LYS A 14 2.747 16.682 -11.723 1.00 0.00 C ATOM 200 CG LYS A 14 1.411 17.520 -11.788 1.00 0.00 C ATOM 201 CD LYS A 14 0.977 17.751 -10.354 1.00 0.00 C ATOM 202 CE LYS A 14 -0.210 18.718 -10.384 1.00 0.00 C ATOM 203 NZ LYS A 14 -0.656 18.766 -8.974 1.00 0.00 N ATOM 0 H LYS A 14 1.916 14.328 -12.385 1.00 0.00 H new ATOM 0 HA LYS A 14 2.950 16.564 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.660 15.980 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.559 17.367 -11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.572 18.468 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.643 16.983 -12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.693 16.810 -9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.796 18.167 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.085 19.703 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.001 18.361 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.540 19.310 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.818 17.799 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.076 19.223 -8.394 1.00 0.00 H new ATOM 216 N HIS A 15 5.228 14.637 -12.117 1.00 0.00 N ATOM 217 CA HIS A 15 6.577 14.027 -12.314 1.00 0.00 C ATOM 218 C HIS A 15 6.492 12.485 -12.256 1.00 0.00 C ATOM 219 O HIS A 15 6.391 11.864 -11.236 1.00 0.00 O ATOM 220 CB HIS A 15 7.615 14.693 -11.302 1.00 0.00 C ATOM 221 CG HIS A 15 9.059 14.629 -11.860 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.870 13.487 -11.727 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.688 15.702 -12.454 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.053 14.163 -12.173 1.00 0.00 C ATOM 225 NE2 HIS A 15 10.970 15.382 -12.728 1.00 0.00 N ATOM 0 H HIS A 15 4.733 14.282 -11.299 1.00 0.00 H new ATOM 0 HA HIS A 15 6.959 14.240 -13.312 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.337 15.732 -11.123 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.570 14.181 -10.341 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.225 16.654 -12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.017 13.688 -12.062 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.682 15.920 -13.222 1.00 0.00 H new ATOM 233 N GLU A 16 6.423 11.872 -13.428 1.00 0.00 N ATOM 234 CA GLU A 16 5.913 10.463 -13.655 1.00 0.00 C ATOM 235 C GLU A 16 6.924 9.335 -13.102 1.00 0.00 C ATOM 236 O GLU A 16 7.889 8.893 -13.819 1.00 0.00 O ATOM 237 CB GLU A 16 5.554 10.348 -15.169 1.00 0.00 C ATOM 238 CG GLU A 16 4.553 11.369 -15.815 1.00 0.00 C ATOM 239 CD GLU A 16 4.296 11.043 -17.238 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.375 9.899 -17.733 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.942 12.141 -17.941 1.00 0.00 O ATOM 0 H GLU A 16 6.720 12.325 -14.292 1.00 0.00 H new ATOM 0 HA GLU A 16 5.014 10.271 -13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.487 10.409 -15.729 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.149 9.349 -15.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.614 11.360 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.959 12.378 -15.738 1.00 0.00 H new ATOM 249 N ARG A 17 6.781 8.908 -11.851 1.00 0.00 N ATOM 250 CA ARG A 17 7.815 8.332 -10.972 1.00 0.00 C ATOM 251 C ARG A 17 7.402 6.960 -10.238 1.00 0.00 C ATOM 252 O ARG A 17 6.288 6.870 -9.768 1.00 0.00 O ATOM 253 CB ARG A 17 8.046 9.399 -9.887 1.00 0.00 C ATOM 254 CG ARG A 17 9.331 9.347 -8.972 1.00 0.00 C ATOM 255 CD ARG A 17 10.610 10.012 -9.508 1.00 0.00 C ATOM 256 NE ARG A 17 11.293 9.078 -10.474 1.00 0.00 N ATOM 257 CZ ARG A 17 11.480 9.265 -11.777 1.00 0.00 C ATOM 258 NH1 ARG A 17 11.177 10.345 -12.442 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.156 8.298 -12.307 1.00 0.00 N ATOM 0 H ARG A 17 5.876 8.955 -11.383 1.00 0.00 H new ATOM 0 HA ARG A 17 8.685 8.083 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.044 10.369 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.180 9.378 -9.226 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.084 9.813 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.556 8.300 -8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.364 10.951 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.280 10.254 -8.683 1.00 0.00 H new ATOM 0 HE ARG A 17 11.651 8.206 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.758 11.140 -11.960 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.359 10.395 -13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.473 7.520 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.372 8.313 -13.304 1.00 0.00 H new ATOM 272 N PRO A 18 8.332 6.027 -9.968 1.00 0.00 N ATOM 273 CA PRO A 18 8.067 4.946 -8.980 1.00 0.00 C ATOM 274 C PRO A 18 7.996 5.296 -7.428 1.00 0.00 C ATOM 275 O PRO A 18 8.852 5.951 -6.889 1.00 0.00 O ATOM 276 CB PRO A 18 9.250 3.933 -9.219 1.00 0.00 C ATOM 277 CG PRO A 18 10.368 4.648 -10.036 1.00 0.00 C ATOM 278 CD PRO A 18 9.616 5.793 -10.696 1.00 0.00 C ATOM 0 HA PRO A 18 7.051 4.597 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.645 3.583 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.892 3.055 -9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.172 5.008 -9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.821 3.983 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.224 6.697 -10.684 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.417 5.557 -11.741 1.00 0.00 H new ATOM 286 N THR A 19 7.036 4.674 -6.699 1.00 0.00 N ATOM 287 CA THR A 19 7.186 4.352 -5.220 1.00 0.00 C ATOM 288 C THR A 19 7.106 5.554 -4.218 1.00 0.00 C ATOM 289 O THR A 19 6.572 5.423 -3.102 1.00 0.00 O ATOM 290 CB THR A 19 8.314 3.341 -4.846 1.00 0.00 C ATOM 291 OG1 THR A 19 8.478 2.380 -5.882 1.00 0.00 O ATOM 292 CG2 THR A 19 8.128 2.601 -3.534 1.00 0.00 C ATOM 0 H THR A 19 6.143 4.377 -7.093 1.00 0.00 H new ATOM 0 HA THR A 19 6.251 3.813 -5.068 1.00 0.00 H new ATOM 0 HB THR A 19 9.199 3.965 -4.721 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.190 1.752 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.969 1.926 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.079 3.319 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.203 2.026 -3.569 1.00 0.00 H new ATOM 300 N LEU A 20 7.592 6.795 -4.587 1.00 0.00 N ATOM 301 CA LEU A 20 7.699 7.945 -3.681 1.00 0.00 C ATOM 302 C LEU A 20 6.384 8.797 -3.373 1.00 0.00 C ATOM 303 O LEU A 20 5.544 9.050 -4.267 1.00 0.00 O ATOM 304 CB LEU A 20 8.851 8.910 -4.277 1.00 0.00 C ATOM 305 CG LEU A 20 10.274 8.450 -4.567 1.00 0.00 C ATOM 306 CD1 LEU A 20 11.257 9.611 -4.688 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.822 7.432 -3.578 1.00 0.00 C ATOM 0 H LEU A 20 7.915 6.999 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 20 7.925 7.518 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.462 9.308 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.936 9.748 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 20 10.185 7.951 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.254 9.223 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.947 10.267 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.273 10.173 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.839 7.161 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.826 7.863 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.193 6.541 -3.587 1.00 0.00 H new ATOM 319 N PRO A 21 6.159 9.422 -2.158 1.00 0.00 N ATOM 320 CA PRO A 21 4.999 10.391 -1.945 1.00 0.00 C ATOM 321 C PRO A 21 4.945 11.802 -2.638 1.00 0.00 C ATOM 322 O PRO A 21 4.974 12.846 -1.982 1.00 0.00 O ATOM 323 CB PRO A 21 5.046 10.420 -0.389 1.00 0.00 C ATOM 324 CG PRO A 21 6.529 10.333 -0.033 1.00 0.00 C ATOM 325 CD PRO A 21 7.027 9.197 -0.973 1.00 0.00 C ATOM 0 HA PRO A 21 4.092 10.054 -2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.600 11.335 0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.489 9.586 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.048 11.273 -0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.682 10.088 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.086 9.292 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.885 8.208 -0.538 1.00 0.00 H new ATOM 333 N TYR A 22 4.993 11.906 -3.969 1.00 0.00 N ATOM 334 CA TYR A 22 5.838 12.878 -4.705 1.00 0.00 C ATOM 335 C TYR A 22 5.087 13.900 -5.592 1.00 0.00 C ATOM 336 O TYR A 22 5.169 15.087 -5.231 1.00 0.00 O ATOM 337 CB TYR A 22 6.845 11.894 -5.407 1.00 0.00 C ATOM 338 CG TYR A 22 7.945 12.526 -6.257 1.00 0.00 C ATOM 339 CD1 TYR A 22 7.864 12.644 -7.637 1.00 0.00 C ATOM 340 CD2 TYR A 22 9.233 12.597 -5.630 1.00 0.00 C ATOM 341 CE1 TYR A 22 9.006 12.825 -8.384 1.00 0.00 C ATOM 342 CE2 TYR A 22 10.375 12.921 -6.377 1.00 0.00 C ATOM 343 CZ TYR A 22 10.257 12.903 -7.797 1.00 0.00 C ATOM 344 OH TYR A 22 11.445 12.887 -8.470 1.00 0.00 O ATOM 0 H TYR A 22 4.439 11.311 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 22 6.334 13.620 -4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.318 11.285 -4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.272 11.217 -6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.903 12.594 -8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.324 12.399 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.924 12.908 -9.458 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.308 13.174 -5.895 1.00 0.00 H new ATOM 0 HH TYR A 22 12.184 12.956 -7.830 1.00 0.00 H new ATOM 354 N ASN A 23 4.638 13.614 -6.781 1.00 0.00 N ATOM 355 CA ASN A 23 4.206 14.619 -7.805 1.00 0.00 C ATOM 356 C ASN A 23 3.171 14.118 -8.825 1.00 0.00 C ATOM 357 O ASN A 23 2.004 14.443 -8.811 1.00 0.00 O ATOM 358 CB ASN A 23 5.398 15.271 -8.524 1.00 0.00 C ATOM 359 CG ASN A 23 6.033 16.446 -7.786 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.385 17.535 -7.675 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.306 16.296 -7.345 1.00 0.00 N ATOM 0 H ASN A 23 4.546 12.653 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 23 3.690 15.375 -7.213 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.162 14.511 -8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.068 15.613 -9.505 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.787 17.078 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.783 15.401 -7.458 1.00 0.00 H new ATOM 368 N CYS A 24 3.639 13.012 -9.455 1.00 0.00 N ATOM 369 CA CYS A 24 2.711 11.904 -9.767 1.00 0.00 C ATOM 370 C CYS A 24 2.316 11.033 -8.452 1.00 0.00 C ATOM 371 O CYS A 24 2.514 11.631 -7.390 1.00 0.00 O ATOM 372 CB CYS A 24 3.412 11.135 -10.960 1.00 0.00 C ATOM 373 SG CYS A 24 2.188 10.069 -11.783 1.00 0.00 S ATOM 0 H CYS A 24 4.606 12.868 -9.744 1.00 0.00 H new ATOM 0 HA CYS A 24 1.721 12.230 -10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.830 11.847 -11.672 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.241 10.535 -10.585 1.00 0.00 H new ATOM 378 N GLY A 25 1.779 9.797 -8.461 1.00 0.00 N ATOM 379 CA GLY A 25 1.074 9.178 -7.308 1.00 0.00 C ATOM 380 C GLY A 25 1.644 9.219 -5.906 1.00 0.00 C ATOM 381 O GLY A 25 2.850 8.975 -5.693 1.00 0.00 O ATOM 0 H GLY A 25 1.820 9.188 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.086 9.637 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.926 8.127 -7.557 1.00 0.00 H new ATOM 385 N LYS A 26 0.765 9.556 -4.969 1.00 0.00 N ATOM 386 CA LYS A 26 1.173 9.558 -3.504 1.00 0.00 C ATOM 387 C LYS A 26 0.538 8.312 -2.620 1.00 0.00 C ATOM 388 O LYS A 26 0.695 8.125 -1.413 1.00 0.00 O ATOM 389 CB LYS A 26 0.777 10.975 -2.925 1.00 0.00 C ATOM 390 CG LYS A 26 1.172 11.268 -1.455 1.00 0.00 C ATOM 391 CD LYS A 26 1.268 12.763 -1.106 1.00 0.00 C ATOM 392 CE LYS A 26 -0.117 13.542 -0.958 1.00 0.00 C ATOM 393 NZ LYS A 26 0.266 14.952 -0.704 1.00 0.00 N ATOM 0 H LYS A 26 -0.202 9.826 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 26 2.247 9.389 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.231 11.738 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.303 11.088 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.441 10.800 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.134 10.798 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.818 12.862 -0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.859 13.258 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.720 13.453 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.711 13.140 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.591 15.530 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.833 15.006 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.825 15.309 -1.505 1.00 0.00 H new ATOM 406 N TYR A 27 -0.040 7.317 -3.305 1.00 0.00 N ATOM 407 CA TYR A 27 -1.243 6.611 -2.721 1.00 0.00 C ATOM 408 C TYR A 27 -1.027 5.054 -2.567 1.00 0.00 C ATOM 409 O TYR A 27 -0.579 4.642 -1.473 1.00 0.00 O ATOM 410 CB TYR A 27 -2.446 6.954 -3.595 1.00 0.00 C ATOM 411 CG TYR A 27 -2.796 8.389 -4.044 1.00 0.00 C ATOM 412 CD1 TYR A 27 -2.760 9.366 -3.052 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.276 8.667 -5.337 1.00 0.00 C ATOM 414 CE1 TYR A 27 -3.107 10.700 -3.343 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.652 9.968 -5.625 1.00 0.00 C ATOM 416 CZ TYR A 27 -3.561 10.960 -4.662 1.00 0.00 C ATOM 417 OH TYR A 27 -3.744 12.286 -5.036 1.00 0.00 O ATOM 0 H TYR A 27 0.266 6.978 -4.217 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.413 6.959 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.340 6.365 -4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.323 6.575 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.463 9.098 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.349 7.889 -6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.032 11.482 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.020 10.212 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.063 12.844 -4.606 1.00 0.00 H new ATOM 427 N ILE A 28 -1.132 4.187 -3.630 1.00 0.00 N ATOM 428 CA ILE A 28 -0.701 2.772 -3.686 1.00 0.00 C ATOM 429 C ILE A 28 0.400 2.583 -4.775 1.00 0.00 C ATOM 430 O ILE A 28 0.157 1.850 -5.763 1.00 0.00 O ATOM 431 CB ILE A 28 -1.795 1.646 -3.558 1.00 0.00 C ATOM 432 CG1 ILE A 28 -3.022 1.379 -4.589 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.507 1.696 -2.201 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.750 1.278 -6.101 1.00 0.00 C ATOM 0 H ILE A 28 -1.545 4.489 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.235 2.572 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.082 0.854 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.505 0.451 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.748 2.179 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.254 0.904 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.778 1.557 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.996 2.663 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.687 1.098 -6.628 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.308 2.210 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.062 0.455 -6.293 1.00 0.00 H new ATOM 446 N CYS A 29 1.674 3.025 -4.684 1.00 0.00 N ATOM 447 CA CYS A 29 2.493 3.410 -5.918 1.00 0.00 C ATOM 448 C CYS A 29 3.411 2.271 -6.548 1.00 0.00 C ATOM 449 O CYS A 29 4.599 2.092 -6.301 1.00 0.00 O ATOM 450 CB CYS A 29 3.180 4.650 -5.429 1.00 0.00 C ATOM 451 SG CYS A 29 2.127 6.077 -5.435 1.00 0.00 S ATOM 0 H CYS A 29 2.174 3.132 -3.801 1.00 0.00 H new ATOM 0 HA CYS A 29 1.889 3.579 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.546 4.480 -4.416 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.051 4.846 -6.054 1.00 0.00 H new ATOM 456 N CYS A 30 2.836 1.776 -7.677 1.00 0.00 N ATOM 457 CA CYS A 30 3.537 1.131 -8.841 1.00 0.00 C ATOM 458 C CYS A 30 4.365 2.175 -9.798 1.00 0.00 C ATOM 459 O CYS A 30 5.297 2.862 -9.262 1.00 0.00 O ATOM 460 CB CYS A 30 2.336 0.333 -9.507 1.00 0.00 C ATOM 461 SG CYS A 30 1.856 -0.972 -8.395 1.00 0.00 S ATOM 0 H CYS A 30 1.826 1.813 -7.815 1.00 0.00 H new ATOM 0 HA CYS A 30 4.369 0.479 -8.576 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.495 1.000 -9.697 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.640 -0.079 -10.469 1.00 0.00 H new ATOM 466 N VAL A 31 4.164 2.403 -11.068 1.00 0.00 N ATOM 467 CA VAL A 31 5.033 3.316 -11.938 1.00 0.00 C ATOM 468 C VAL A 31 4.408 4.183 -13.080 1.00 0.00 C ATOM 469 O VAL A 31 4.771 5.388 -13.087 1.00 0.00 O ATOM 470 CB VAL A 31 6.342 2.598 -12.321 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.226 1.166 -12.879 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.504 3.348 -13.074 1.00 0.00 C ATOM 0 H VAL A 31 3.394 1.978 -11.584 1.00 0.00 H new ATOM 0 HA VAL A 31 5.226 4.150 -11.263 1.00 0.00 H new ATOM 0 HB VAL A 31 6.670 2.575 -11.282 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.221 0.782 -13.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.750 0.524 -12.138 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.625 1.177 -13.788 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.331 2.659 -13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.137 3.720 -14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.850 4.185 -12.468 1.00 0.00 H new ATOM 482 N PRO A 32 3.447 3.726 -13.880 1.00 0.00 N ATOM 483 CA PRO A 32 2.300 4.626 -14.180 1.00 0.00 C ATOM 484 C PRO A 32 1.340 4.865 -12.934 1.00 0.00 C ATOM 485 O PRO A 32 0.203 4.467 -12.927 1.00 0.00 O ATOM 486 CB PRO A 32 1.719 3.984 -15.457 1.00 0.00 C ATOM 487 CG PRO A 32 2.838 3.246 -16.126 1.00 0.00 C ATOM 488 CD PRO A 32 3.718 2.780 -14.997 1.00 0.00 C ATOM 0 HA PRO A 32 2.551 5.670 -14.368 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.903 3.305 -15.210 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.310 4.746 -16.120 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.464 2.405 -16.710 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.384 3.893 -16.813 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.483 1.755 -14.711 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.770 2.798 -15.283 1.00 0.00 H new ATOM 496 N VAL A 33 1.840 5.469 -11.887 1.00 0.00 N ATOM 497 CA VAL A 33 1.186 6.055 -10.630 1.00 0.00 C ATOM 498 C VAL A 33 0.225 7.364 -10.825 1.00 0.00 C ATOM 499 O VAL A 33 0.538 8.067 -11.731 1.00 0.00 O ATOM 500 CB VAL A 33 2.352 6.372 -9.560 1.00 0.00 C ATOM 501 CG1 VAL A 33 3.146 5.207 -8.980 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.525 7.325 -10.052 1.00 0.00 C ATOM 0 H VAL A 33 2.850 5.606 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 33 0.488 5.291 -10.287 1.00 0.00 H new ATOM 0 HB VAL A 33 1.685 6.821 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.889 5.587 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.470 4.529 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.648 4.672 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.245 7.462 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.023 6.875 -10.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.112 8.292 -10.338 1.00 0.00 H new ATOM 512 N LYS A 34 -0.916 7.556 -10.072 1.00 0.00 N ATOM 513 CA LYS A 34 -1.701 8.830 -10.080 1.00 0.00 C ATOM 514 C LYS A 34 -1.096 10.229 -9.699 1.00 0.00 C ATOM 515 O LYS A 34 -0.391 10.745 -10.583 1.00 0.00 O ATOM 516 CB LYS A 34 -3.187 8.511 -9.643 1.00 0.00 C ATOM 517 CG LYS A 34 -4.160 9.636 -9.573 1.00 0.00 C ATOM 518 CD LYS A 34 -5.522 9.202 -8.976 1.00 0.00 C ATOM 519 CE LYS A 34 -6.520 10.412 -8.817 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.089 10.522 -7.462 1.00 0.00 N ATOM 0 H LYS A 34 -1.304 6.841 -9.457 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.642 9.152 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.585 7.770 -10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.151 8.041 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.740 10.439 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.317 10.040 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.972 8.445 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.358 8.739 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.000 11.338 -9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.331 10.302 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.736 11.335 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.612 9.652 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.322 10.656 -6.773 1.00 0.00 H new ATOM 533 N VAL A 35 -1.402 11.044 -8.618 1.00 0.00 N ATOM 534 CA VAL A 35 -0.778 12.389 -8.325 1.00 0.00 C ATOM 535 C VAL A 35 -0.400 12.683 -6.810 1.00 0.00 C ATOM 536 O VAL A 35 -0.820 11.981 -5.880 1.00 0.00 O ATOM 537 CB VAL A 35 -1.641 13.636 -8.833 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.996 13.581 -10.358 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.989 13.980 -8.064 1.00 0.00 C ATOM 0 H VAL A 35 -2.098 10.776 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 35 0.145 12.292 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.931 14.431 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.582 14.460 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.078 13.563 -10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.576 12.681 -10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.459 14.849 -8.525 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.667 13.128 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.766 14.199 -7.020 1.00 0.00 H new ATOM 549 N LYS A 36 0.355 13.741 -6.502 1.00 0.00 N ATOM 550 CA LYS A 36 0.247 14.331 -5.166 1.00 0.00 C ATOM 551 C LYS A 36 -1.225 14.954 -4.895 1.00 0.00 C ATOM 552 O LYS A 36 -1.961 14.487 -4.043 1.00 0.00 O ATOM 553 CB LYS A 36 1.424 15.237 -4.853 1.00 0.00 C ATOM 554 CG LYS A 36 1.334 16.596 -5.570 1.00 0.00 C ATOM 555 CD LYS A 36 2.490 17.607 -5.563 1.00 0.00 C ATOM 556 CE LYS A 36 2.203 18.802 -6.460 1.00 0.00 C ATOM 557 NZ LYS A 36 3.489 19.666 -6.624 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.650 15.861 -5.811 1.00 0.00 O ATOM 0 H LYS A 36 1.021 14.191 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 36 0.328 13.536 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.475 15.401 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.349 14.738 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.111 16.384 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.466 17.110 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.665 17.952 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.405 17.115 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.858 18.460 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.402 19.405 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.303 20.442 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.762 20.061 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.261 19.073 -6.989 1.00 0.00 H new TER 572 LYS A 36