USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=7 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= 0.468 K(o=0.61,f=-0.22) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 167:sc= 0.141 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HD1:sc=-0.00208 X(o=0.0008,f=-0.31) USER MOD Set 2.2: A 22 TYR OH : rot 18:sc= 0.00287 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+ -168:sc= -0.0155 (180deg=-0.219) USER MOD Single : A 9 THR OG1 : rot -24:sc= 0.205 USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 0.00593 (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+ 180:sc= 0 (180deg=0) 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 1 N GLU A 1 -6.211 -2.834 -2.874 1.00 0.00 N ATOM 2 CA GLU A 1 -6.097 -2.998 -4.334 1.00 0.00 C ATOM 3 C GLU A 1 -4.821 -2.214 -4.965 1.00 0.00 C ATOM 4 O GLU A 1 -4.905 -1.132 -5.572 1.00 0.00 O ATOM 5 CB GLU A 1 -7.418 -2.324 -4.876 1.00 0.00 C ATOM 6 CG GLU A 1 -7.676 -2.646 -6.384 1.00 0.00 C ATOM 7 CD GLU A 1 -8.977 -2.131 -6.959 1.00 0.00 C ATOM 8 OE1 GLU A 1 -9.217 -1.024 -7.356 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.863 -3.120 -7.084 1.00 0.00 O ATOM 0 H1 GLU A 1 -7.042 -3.356 -2.530 1.00 0.00 H new ATOM 0 H2 GLU A 1 -5.355 -3.205 -2.415 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.317 -1.825 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 1 -5.965 -4.047 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -8.267 -2.666 -4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -7.352 -1.244 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.854 -2.233 -6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -7.647 -3.728 -6.514 1.00 0.00 H new ATOM 18 N LYS A 2 -3.627 -2.815 -4.872 1.00 0.00 N ATOM 19 CA LYS A 2 -2.472 -2.468 -5.685 1.00 0.00 C ATOM 20 C LYS A 2 -2.480 -3.337 -6.978 1.00 0.00 C ATOM 21 O LYS A 2 -2.106 -4.521 -7.033 1.00 0.00 O ATOM 22 CB LYS A 2 -1.156 -2.705 -4.860 1.00 0.00 C ATOM 23 CG LYS A 2 -1.160 -3.737 -3.682 1.00 0.00 C ATOM 24 CD LYS A 2 0.265 -3.994 -3.114 1.00 0.00 C ATOM 25 CE LYS A 2 1.181 -4.894 -3.966 1.00 0.00 C ATOM 26 NZ LYS A 2 2.373 -5.179 -3.136 1.00 0.00 N ATOM 0 H LYS A 2 -3.442 -3.571 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.515 -1.416 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.381 -3.014 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.850 -1.743 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.806 -3.371 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.585 -4.679 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.759 -3.032 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.165 -4.443 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.671 -5.816 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.463 -4.395 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.029 -5.787 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.848 -4.286 -2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.081 -5.664 -2.264 1.00 0.00 H new ATOM 39 N LYS A 3 -2.954 -2.788 -8.091 1.00 0.00 N ATOM 40 CA LYS A 3 -3.146 -3.568 -9.329 1.00 0.00 C ATOM 41 C LYS A 3 -2.154 -3.202 -10.493 1.00 0.00 C ATOM 42 O LYS A 3 -2.567 -2.450 -11.403 1.00 0.00 O ATOM 43 CB LYS A 3 -4.616 -3.591 -9.803 1.00 0.00 C ATOM 44 CG LYS A 3 -4.941 -4.607 -10.887 1.00 0.00 C ATOM 45 CD LYS A 3 -6.384 -4.563 -11.465 1.00 0.00 C ATOM 46 CE LYS A 3 -6.356 -3.845 -12.801 1.00 0.00 C ATOM 47 NZ LYS A 3 -5.937 -2.434 -12.628 1.00 0.00 N ATOM 0 H LYS A 3 -3.215 -1.805 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.885 -4.588 -9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.254 -3.789 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.876 -2.598 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.239 -4.466 -11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.764 -5.604 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.772 -5.574 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.051 -4.048 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.670 -4.353 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.344 -3.883 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.117 -1.908 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.478 -2.004 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.922 -2.398 -12.405 1.00 0.00 H new ATOM 60 N CYS A 4 -0.962 -3.815 -10.554 1.00 0.00 N ATOM 61 CA CYS A 4 0.113 -3.448 -11.547 1.00 0.00 C ATOM 62 C CYS A 4 0.129 -4.268 -12.953 1.00 0.00 C ATOM 63 O CYS A 4 -0.717 -5.179 -13.199 1.00 0.00 O ATOM 64 CB CYS A 4 1.388 -3.573 -10.673 1.00 0.00 C ATOM 65 SG CYS A 4 1.238 -2.519 -9.143 1.00 0.00 S ATOM 0 H CYS A 4 -0.697 -4.577 -9.930 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.030 -2.456 -11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.541 -4.614 -10.390 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.262 -3.267 -11.248 1.00 0.00 H new ATOM 70 N PRO A 5 1.122 -4.094 -13.945 1.00 0.00 N ATOM 71 CA PRO A 5 2.370 -3.290 -13.834 1.00 0.00 C ATOM 72 C PRO A 5 2.392 -1.720 -13.457 1.00 0.00 C ATOM 73 O PRO A 5 3.400 -1.251 -12.931 1.00 0.00 O ATOM 74 CB PRO A 5 2.882 -3.448 -15.312 1.00 0.00 C ATOM 75 CG PRO A 5 2.323 -4.846 -15.769 1.00 0.00 C ATOM 76 CD PRO A 5 0.964 -4.905 -15.218 1.00 0.00 C ATOM 0 HA PRO A 5 2.922 -3.657 -12.969 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.513 -2.644 -15.949 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.971 -3.419 -15.361 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.313 -4.932 -16.856 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.939 -5.661 -15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.228 -4.470 -15.894 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.646 -5.928 -15.017 1.00 0.00 H new ATOM 84 N GLY A 6 1.388 -0.925 -13.775 1.00 0.00 N ATOM 85 CA GLY A 6 1.259 0.535 -13.654 1.00 0.00 C ATOM 86 C GLY A 6 0.050 1.059 -12.914 1.00 0.00 C ATOM 87 O GLY A 6 -1.033 1.083 -13.547 1.00 0.00 O ATOM 0 H GLY A 6 0.537 -1.324 -14.172 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.151 0.914 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.251 0.959 -14.658 1.00 0.00 H new ATOM 91 N ARG A 7 0.174 1.476 -11.663 1.00 0.00 N ATOM 92 CA ARG A 7 -0.976 1.859 -10.815 1.00 0.00 C ATOM 93 C ARG A 7 -0.510 2.926 -9.814 1.00 0.00 C ATOM 94 O ARG A 7 0.534 2.724 -9.164 1.00 0.00 O ATOM 95 CB ARG A 7 -1.607 0.618 -10.191 1.00 0.00 C ATOM 96 CG ARG A 7 -2.877 0.727 -9.331 1.00 0.00 C ATOM 97 CD ARG A 7 -4.265 0.496 -10.039 1.00 0.00 C ATOM 98 NE ARG A 7 -5.202 0.562 -8.908 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.501 0.660 -8.999 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.151 0.451 -10.162 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.167 0.902 -7.944 1.00 0.00 N ATOM 0 H ARG A 7 1.075 1.563 -11.193 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.777 2.312 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.830 -0.071 -11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.842 0.146 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.793 0.008 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.892 1.719 -8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.474 1.261 -10.786 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.308 -0.467 -10.548 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.802 0.528 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.627 0.209 -11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.167 0.535 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.686 1.015 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.183 0.983 -7.989 1.00 0.00 H new ATOM 114 N CYS A 8 -1.247 4.007 -9.485 1.00 0.00 N ATOM 115 CA CYS A 8 -1.315 4.546 -8.074 1.00 0.00 C ATOM 116 C CYS A 8 -2.746 4.868 -7.539 1.00 0.00 C ATOM 117 O CYS A 8 -3.196 4.481 -6.484 1.00 0.00 O ATOM 118 CB CYS A 8 -0.199 5.476 -7.745 1.00 0.00 C ATOM 119 SG CYS A 8 0.288 5.483 -6.047 1.00 0.00 S ATOM 0 H CYS A 8 -1.806 4.533 -10.157 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.098 3.704 -7.417 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.665 5.213 -8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.493 6.487 -8.028 1.00 0.00 H new ATOM 124 N THR A 9 -3.449 5.665 -8.357 1.00 0.00 N ATOM 125 CA THR A 9 -4.927 5.323 -8.555 1.00 0.00 C ATOM 126 C THR A 9 -5.270 4.965 -10.080 1.00 0.00 C ATOM 127 O THR A 9 -5.522 3.780 -10.452 1.00 0.00 O ATOM 128 CB THR A 9 -6.012 6.159 -7.857 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.516 6.494 -6.558 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.289 5.355 -7.598 1.00 0.00 C ATOM 0 H THR A 9 -3.095 6.478 -8.861 1.00 0.00 H new ATOM 0 HA THR A 9 -5.004 4.422 -7.946 1.00 0.00 H new ATOM 0 HB THR A 9 -6.236 7.014 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.838 5.840 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.024 5.990 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.694 5.001 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.059 4.502 -6.960 1.00 0.00 H new ATOM 138 N LEU A 10 -5.057 5.948 -10.921 1.00 0.00 N ATOM 139 CA LEU A 10 -4.870 5.817 -12.439 1.00 0.00 C ATOM 140 C LEU A 10 -3.387 6.135 -12.865 1.00 0.00 C ATOM 141 O LEU A 10 -2.405 6.081 -12.146 1.00 0.00 O ATOM 142 CB LEU A 10 -6.024 6.509 -13.167 1.00 0.00 C ATOM 143 CG LEU A 10 -6.234 8.040 -13.131 1.00 0.00 C ATOM 144 CD1 LEU A 10 -4.915 8.870 -13.308 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.289 8.467 -14.166 1.00 0.00 C ATOM 0 H LEU A 10 -4.998 6.917 -10.607 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.961 4.785 -12.778 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.940 6.231 -14.218 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.943 6.060 -12.791 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.595 8.268 -12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.147 9.934 -13.271 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.219 8.622 -12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.461 8.631 -14.270 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.422 9.548 -14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.957 8.180 -15.164 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.236 7.976 -13.944 1.00 0.00 H new ATOM 157 N LYS A 11 -3.167 6.372 -14.118 1.00 0.00 N ATOM 158 CA LYS A 11 -1.811 6.625 -14.754 1.00 0.00 C ATOM 159 C LYS A 11 -1.156 8.008 -14.553 1.00 0.00 C ATOM 160 O LYS A 11 -1.746 8.934 -14.002 1.00 0.00 O ATOM 161 CB LYS A 11 -1.965 6.290 -16.333 1.00 0.00 C ATOM 162 CG LYS A 11 -1.995 4.839 -16.739 1.00 0.00 C ATOM 163 CD LYS A 11 -3.000 3.892 -16.048 1.00 0.00 C ATOM 164 CE LYS A 11 -3.444 2.632 -16.756 1.00 0.00 C ATOM 165 NZ LYS A 11 -2.443 1.540 -16.586 1.00 0.00 N ATOM 0 H LYS A 11 -3.926 6.407 -14.798 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.112 5.976 -14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.884 6.757 -16.687 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.140 6.769 -16.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.189 4.801 -17.811 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.996 4.432 -16.581 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.565 3.594 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.895 4.473 -15.823 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.408 2.310 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.586 2.838 -17.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.882 0.627 -16.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.635 1.708 -17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.113 1.522 -15.600 1.00 0.00 H new ATOM 178 N CYS A 12 0.110 8.144 -14.913 1.00 0.00 N ATOM 179 CA CYS A 12 0.994 9.278 -14.607 1.00 0.00 C ATOM 180 C CYS A 12 0.810 10.561 -15.490 1.00 0.00 C ATOM 181 O CYS A 12 0.060 10.530 -16.458 1.00 0.00 O ATOM 182 CB CYS A 12 2.462 8.806 -14.653 1.00 0.00 C ATOM 183 SG CYS A 12 3.287 8.941 -13.003 1.00 0.00 S ATOM 0 H CYS A 12 0.585 7.427 -15.460 1.00 0.00 H new ATOM 0 HA CYS A 12 0.703 9.602 -13.608 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.499 7.771 -14.993 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.011 9.401 -15.382 1.00 0.00 H new ATOM 188 N GLY A 13 1.296 11.655 -14.888 1.00 0.00 N ATOM 189 CA GLY A 13 0.974 13.043 -15.321 1.00 0.00 C ATOM 190 C GLY A 13 2.004 14.106 -14.891 1.00 0.00 C ATOM 191 O GLY A 13 2.886 14.450 -15.668 1.00 0.00 O ATOM 0 H GLY A 13 1.925 11.614 -14.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.887 13.059 -16.407 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.001 13.318 -14.919 1.00 0.00 H new ATOM 195 N LYS A 14 1.959 14.491 -13.594 1.00 0.00 N ATOM 196 CA LYS A 14 2.717 15.656 -13.054 1.00 0.00 C ATOM 197 C LYS A 14 4.248 15.497 -13.088 1.00 0.00 C ATOM 198 O LYS A 14 4.785 15.901 -14.093 1.00 0.00 O ATOM 199 CB LYS A 14 2.181 16.335 -11.721 1.00 0.00 C ATOM 200 CG LYS A 14 0.755 17.006 -11.904 1.00 0.00 C ATOM 201 CD LYS A 14 0.289 17.432 -10.501 1.00 0.00 C ATOM 202 CE LYS A 14 -1.054 18.168 -10.576 1.00 0.00 C ATOM 203 NZ LYS A 14 -1.695 18.036 -9.328 1.00 0.00 N ATOM 0 H LYS A 14 1.400 14.008 -12.891 1.00 0.00 H new ATOM 0 HA LYS A 14 2.472 16.409 -13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.126 15.584 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.894 17.091 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.814 17.866 -12.571 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.050 16.304 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.193 16.554 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.038 18.078 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.899 19.220 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.674 17.749 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.611 18.528 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.850 17.028 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.099 18.454 -8.585 1.00 0.00 H new ATOM 216 N HIS A 15 4.802 14.762 -12.093 1.00 0.00 N ATOM 217 CA HIS A 15 6.236 14.321 -12.289 1.00 0.00 C ATOM 218 C HIS A 15 6.484 12.821 -11.949 1.00 0.00 C ATOM 219 O HIS A 15 6.358 12.290 -10.847 1.00 0.00 O ATOM 220 CB HIS A 15 7.100 15.318 -11.515 1.00 0.00 C ATOM 221 CG HIS A 15 8.569 15.352 -11.857 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.516 14.602 -11.247 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.147 16.305 -12.642 1.00 0.00 C ATOM 224 CE1 HIS A 15 10.655 15.245 -11.633 1.00 0.00 C ATOM 225 NE2 HIS A 15 10.542 16.203 -12.559 1.00 0.00 N ATOM 0 H HIS A 15 4.348 14.477 -11.225 1.00 0.00 H new ATOM 0 HA HIS A 15 6.512 14.345 -13.343 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.691 16.316 -11.672 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.003 15.098 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.611 17.029 -13.238 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.614 14.990 -11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.266 16.715 -13.063 1.00 0.00 H new ATOM 233 N GLU A 16 6.667 12.087 -13.051 1.00 0.00 N ATOM 234 CA GLU A 16 6.209 10.658 -13.280 1.00 0.00 C ATOM 235 C GLU A 16 7.308 9.623 -12.808 1.00 0.00 C ATOM 236 O GLU A 16 8.327 9.418 -13.432 1.00 0.00 O ATOM 237 CB GLU A 16 5.707 10.474 -14.734 1.00 0.00 C ATOM 238 CG GLU A 16 4.796 11.607 -15.351 1.00 0.00 C ATOM 239 CD GLU A 16 4.346 11.397 -16.816 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.156 10.317 -17.334 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.031 12.598 -17.415 1.00 0.00 O ATOM 0 H GLU A 16 7.158 12.464 -13.862 1.00 0.00 H new ATOM 0 HA GLU A 16 5.345 10.442 -12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.580 10.360 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.152 9.537 -14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.906 11.708 -14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.336 12.552 -15.290 1.00 0.00 H new ATOM 249 N ARG A 17 7.033 9.023 -11.639 1.00 0.00 N ATOM 250 CA ARG A 17 8.087 8.455 -10.724 1.00 0.00 C ATOM 251 C ARG A 17 7.751 7.113 -10.061 1.00 0.00 C ATOM 252 O ARG A 17 6.555 6.920 -9.838 1.00 0.00 O ATOM 253 CB ARG A 17 8.383 9.675 -9.738 1.00 0.00 C ATOM 254 CG ARG A 17 9.513 9.527 -8.695 1.00 0.00 C ATOM 255 CD ARG A 17 10.869 10.176 -9.049 1.00 0.00 C ATOM 256 NE ARG A 17 11.743 9.247 -9.864 1.00 0.00 N ATOM 257 CZ ARG A 17 11.942 9.128 -11.150 1.00 0.00 C ATOM 258 NH1 ARG A 17 11.365 9.890 -12.081 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.842 8.238 -11.511 1.00 0.00 N ATOM 0 H ARG A 17 6.083 8.908 -11.285 1.00 0.00 H new ATOM 0 HA ARG A 17 8.978 8.131 -11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.610 10.548 -10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.462 9.895 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.166 9.954 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.679 8.464 -8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.696 11.096 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.389 10.453 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 17 12.280 8.587 -9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.717 10.628 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.572 9.735 -13.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.334 7.693 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.048 8.093 -12.499 1.00 0.00 H new ATOM 272 N PRO A 18 8.672 6.195 -9.706 1.00 0.00 N ATOM 273 CA PRO A 18 8.149 4.942 -9.092 1.00 0.00 C ATOM 274 C PRO A 18 8.086 4.896 -7.559 1.00 0.00 C ATOM 275 O PRO A 18 9.092 5.123 -6.950 1.00 0.00 O ATOM 276 CB PRO A 18 9.083 3.927 -9.815 1.00 0.00 C ATOM 277 CG PRO A 18 10.407 4.688 -9.930 1.00 0.00 C ATOM 278 CD PRO A 18 9.998 6.119 -10.259 1.00 0.00 C ATOM 0 HA PRO A 18 7.085 4.756 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.196 3.006 -9.243 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.693 3.648 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.974 4.641 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.040 4.267 -10.711 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.670 6.848 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.002 6.306 -11.333 1.00 0.00 H new ATOM 286 N THR A 19 6.990 4.423 -6.886 1.00 0.00 N ATOM 287 CA THR A 19 7.011 4.165 -5.380 1.00 0.00 C ATOM 288 C THR A 19 7.024 5.465 -4.513 1.00 0.00 C ATOM 289 O THR A 19 6.374 5.467 -3.436 1.00 0.00 O ATOM 290 CB THR A 19 8.057 3.090 -4.928 1.00 0.00 C ATOM 291 OG1 THR A 19 7.896 1.955 -5.749 1.00 0.00 O ATOM 292 CG2 THR A 19 7.911 2.670 -3.518 1.00 0.00 C ATOM 0 H THR A 19 6.098 4.213 -7.334 1.00 0.00 H new ATOM 0 HA THR A 19 6.044 3.706 -5.172 1.00 0.00 H new ATOM 0 HB THR A 19 9.045 3.542 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.542 1.267 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.670 1.925 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.035 3.535 -2.866 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.921 2.240 -3.367 1.00 0.00 H new ATOM 300 N LEU A 20 7.501 6.688 -4.848 1.00 0.00 N ATOM 301 CA LEU A 20 7.671 7.838 -3.942 1.00 0.00 C ATOM 302 C LEU A 20 6.305 8.572 -3.626 1.00 0.00 C ATOM 303 O LEU A 20 5.546 8.906 -4.535 1.00 0.00 O ATOM 304 CB LEU A 20 8.745 8.824 -4.530 1.00 0.00 C ATOM 305 CG LEU A 20 10.159 8.369 -5.133 1.00 0.00 C ATOM 306 CD1 LEU A 20 11.146 9.588 -4.995 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.709 7.021 -4.627 1.00 0.00 C ATOM 0 H LEU A 20 7.790 6.904 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 20 8.029 7.461 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.243 9.380 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.970 9.535 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 20 10.024 8.125 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.121 9.314 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.752 10.440 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.249 9.856 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.668 6.818 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.842 7.065 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.006 6.225 -4.874 1.00 0.00 H new ATOM 319 N PRO A 21 6.073 8.955 -2.352 1.00 0.00 N ATOM 320 CA PRO A 21 4.876 9.798 -2.089 1.00 0.00 C ATOM 321 C PRO A 21 4.958 11.333 -2.474 1.00 0.00 C ATOM 322 O PRO A 21 5.439 12.153 -1.680 1.00 0.00 O ATOM 323 CB PRO A 21 4.678 9.447 -0.605 1.00 0.00 C ATOM 324 CG PRO A 21 6.091 9.036 -0.053 1.00 0.00 C ATOM 325 CD PRO A 21 6.938 8.536 -1.153 1.00 0.00 C ATOM 0 HA PRO A 21 4.019 9.594 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.279 10.299 -0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.964 8.631 -0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.568 9.893 0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.982 8.267 0.711 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.924 9.000 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.093 7.458 -1.105 1.00 0.00 H new ATOM 333 N TYR A 22 4.699 11.705 -3.707 1.00 0.00 N ATOM 334 CA TYR A 22 5.492 12.693 -4.481 1.00 0.00 C ATOM 335 C TYR A 22 4.729 13.867 -5.251 1.00 0.00 C ATOM 336 O TYR A 22 4.580 14.904 -4.653 1.00 0.00 O ATOM 337 CB TYR A 22 6.600 11.839 -5.199 1.00 0.00 C ATOM 338 CG TYR A 22 7.700 12.595 -5.962 1.00 0.00 C ATOM 339 CD1 TYR A 22 7.600 12.683 -7.336 1.00 0.00 C ATOM 340 CD2 TYR A 22 9.023 12.739 -5.362 1.00 0.00 C ATOM 341 CE1 TYR A 22 8.655 13.182 -8.076 1.00 0.00 C ATOM 342 CE2 TYR A 22 10.131 13.080 -6.132 1.00 0.00 C ATOM 343 CZ TYR A 22 9.957 13.299 -7.510 1.00 0.00 C ATOM 344 OH TYR A 22 11.081 13.487 -8.340 1.00 0.00 O ATOM 0 H TYR A 22 3.911 11.329 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 22 5.969 13.429 -3.833 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.082 11.214 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.105 11.168 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.697 12.362 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.144 12.578 -4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.490 13.488 -9.099 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.107 13.175 -5.679 1.00 0.00 H new ATOM 0 HH TYR A 22 10.788 13.793 -9.224 1.00 0.00 H new ATOM 354 N ASN A 23 4.508 13.624 -6.551 1.00 0.00 N ATOM 355 CA ASN A 23 4.065 14.678 -7.581 1.00 0.00 C ATOM 356 C ASN A 23 3.068 14.058 -8.655 1.00 0.00 C ATOM 357 O ASN A 23 1.924 14.438 -8.804 1.00 0.00 O ATOM 358 CB ASN A 23 5.251 15.421 -8.220 1.00 0.00 C ATOM 359 CG ASN A 23 6.025 16.390 -7.333 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.452 17.447 -7.159 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.242 16.119 -6.816 1.00 0.00 N ATOM 0 H ASN A 23 4.622 12.696 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 23 3.508 15.441 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.951 14.677 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.878 15.975 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.723 16.818 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.681 15.215 -6.992 1.00 0.00 H new ATOM 368 N CYS A 24 3.512 13.022 -9.364 1.00 0.00 N ATOM 369 CA CYS A 24 2.764 11.767 -9.637 1.00 0.00 C ATOM 370 C CYS A 24 2.419 10.954 -8.295 1.00 0.00 C ATOM 371 O CYS A 24 2.710 11.459 -7.190 1.00 0.00 O ATOM 372 CB CYS A 24 3.641 11.068 -10.658 1.00 0.00 C ATOM 373 SG CYS A 24 2.505 10.201 -11.792 1.00 0.00 S ATOM 0 H CYS A 24 4.440 13.020 -9.788 1.00 0.00 H new ATOM 0 HA CYS A 24 1.760 11.909 -10.037 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.258 11.786 -11.198 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.319 10.366 -10.173 1.00 0.00 H new ATOM 378 N GLY A 25 1.901 9.741 -8.392 1.00 0.00 N ATOM 379 CA GLY A 25 1.096 9.041 -7.279 1.00 0.00 C ATOM 380 C GLY A 25 1.478 9.308 -5.749 1.00 0.00 C ATOM 381 O GLY A 25 2.381 8.649 -5.285 1.00 0.00 O ATOM 0 H GLY A 25 2.000 9.170 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.050 9.318 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.165 7.967 -7.451 1.00 0.00 H new ATOM 385 N LYS A 26 0.605 9.913 -4.960 1.00 0.00 N ATOM 386 CA LYS A 26 0.738 9.844 -3.470 1.00 0.00 C ATOM 387 C LYS A 26 -0.258 8.733 -2.854 1.00 0.00 C ATOM 388 O LYS A 26 -1.061 9.006 -1.940 1.00 0.00 O ATOM 389 CB LYS A 26 0.556 11.249 -2.789 1.00 0.00 C ATOM 390 CG LYS A 26 1.067 11.503 -1.383 1.00 0.00 C ATOM 391 CD LYS A 26 1.343 13.025 -0.949 1.00 0.00 C ATOM 392 CE LYS A 26 1.230 13.194 0.563 1.00 0.00 C ATOM 393 NZ LYS A 26 1.652 14.588 0.906 1.00 0.00 N ATOM 0 H LYS A 26 -0.194 10.452 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 26 1.758 9.532 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.030 11.984 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.512 11.467 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.346 11.081 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.995 10.946 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.338 13.326 -1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.630 13.683 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.206 13.014 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.861 12.468 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.584 14.728 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.635 14.738 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.031 15.268 0.422 1.00 0.00 H new ATOM 406 N TYR A 27 -0.357 7.535 -3.428 1.00 0.00 N ATOM 407 CA TYR A 27 -1.525 6.610 -3.317 1.00 0.00 C ATOM 408 C TYR A 27 -1.182 5.113 -3.012 1.00 0.00 C ATOM 409 O TYR A 27 -0.984 4.845 -1.812 1.00 0.00 O ATOM 410 CB TYR A 27 -2.520 6.848 -4.552 1.00 0.00 C ATOM 411 CG TYR A 27 -3.255 8.260 -4.665 1.00 0.00 C ATOM 412 CD1 TYR A 27 -4.108 8.699 -3.667 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.158 9.041 -5.829 1.00 0.00 C ATOM 414 CE1 TYR A 27 -4.806 9.844 -3.779 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.821 10.263 -5.934 1.00 0.00 C ATOM 416 CZ TYR A 27 -4.684 10.596 -4.900 1.00 0.00 C ATOM 417 OH TYR A 27 -5.273 11.801 -5.002 1.00 0.00 O ATOM 0 H TYR A 27 0.390 7.152 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.059 6.875 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.954 6.692 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.287 6.075 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.217 8.105 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.560 8.689 -6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.460 10.162 -2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.670 10.918 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.071 12.191 -5.878 1.00 0.00 H new ATOM 427 N ILE A 28 -1.133 4.204 -3.988 1.00 0.00 N ATOM 428 CA ILE A 28 -0.432 2.893 -3.909 1.00 0.00 C ATOM 429 C ILE A 28 0.586 2.627 -5.065 1.00 0.00 C ATOM 430 O ILE A 28 0.283 2.032 -6.099 1.00 0.00 O ATOM 431 CB ILE A 28 -1.404 1.713 -3.457 1.00 0.00 C ATOM 432 CG1 ILE A 28 -2.642 1.412 -4.221 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.711 1.670 -1.942 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.398 1.253 -5.777 1.00 0.00 C ATOM 0 H ILE A 28 -1.590 4.351 -4.888 1.00 0.00 H new ATOM 0 HA ILE A 28 0.270 2.942 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.734 0.904 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.084 0.494 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.366 2.209 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.379 0.835 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.782 1.542 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.188 2.602 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.344 1.034 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.984 2.179 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.698 0.436 -5.954 1.00 0.00 H new ATOM 446 N CYS A 29 1.845 3.031 -4.985 1.00 0.00 N ATOM 447 CA CYS A 29 2.614 3.414 -6.210 1.00 0.00 C ATOM 448 C CYS A 29 3.474 2.310 -6.887 1.00 0.00 C ATOM 449 O CYS A 29 4.593 2.000 -6.469 1.00 0.00 O ATOM 450 CB CYS A 29 3.404 4.753 -5.857 1.00 0.00 C ATOM 451 SG CYS A 29 2.254 6.126 -5.881 1.00 0.00 S ATOM 0 H CYS A 29 2.368 3.109 -4.113 1.00 0.00 H new ATOM 0 HA CYS A 29 1.901 3.582 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.870 4.668 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.205 4.919 -6.577 1.00 0.00 H new ATOM 456 N CYS A 30 2.985 1.816 -8.024 1.00 0.00 N ATOM 457 CA CYS A 30 3.866 1.096 -9.033 1.00 0.00 C ATOM 458 C CYS A 30 4.661 1.967 -10.037 1.00 0.00 C ATOM 459 O CYS A 30 5.611 2.570 -9.493 1.00 0.00 O ATOM 460 CB CYS A 30 2.866 0.162 -9.802 1.00 0.00 C ATOM 461 SG CYS A 30 2.815 -1.462 -8.967 1.00 0.00 S ATOM 0 H CYS A 30 2.004 1.883 -8.296 1.00 0.00 H new ATOM 0 HA CYS A 30 4.668 0.593 -8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.872 0.608 -9.821 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.182 0.044 -10.839 1.00 0.00 H new ATOM 466 N VAL A 31 4.382 2.164 -11.409 1.00 0.00 N ATOM 467 CA VAL A 31 5.229 3.080 -12.219 1.00 0.00 C ATOM 468 C VAL A 31 4.431 4.079 -13.232 1.00 0.00 C ATOM 469 O VAL A 31 4.740 5.279 -13.238 1.00 0.00 O ATOM 470 CB VAL A 31 6.518 2.297 -12.750 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.410 1.057 -13.676 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.420 3.267 -13.503 1.00 0.00 C ATOM 0 H VAL A 31 3.620 1.716 -11.917 1.00 0.00 H new ATOM 0 HA VAL A 31 5.629 3.861 -11.572 1.00 0.00 H new ATOM 0 HB VAL A 31 6.872 1.889 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.409 0.689 -13.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.844 0.274 -13.171 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.901 1.335 -14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.300 2.737 -13.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.876 3.689 -14.348 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.730 4.069 -12.834 1.00 0.00 H new ATOM 482 N PRO A 32 3.321 3.645 -13.981 1.00 0.00 N ATOM 483 CA PRO A 32 2.262 4.666 -14.306 1.00 0.00 C ATOM 484 C PRO A 32 1.415 5.087 -13.087 1.00 0.00 C ATOM 485 O PRO A 32 0.246 4.801 -12.994 1.00 0.00 O ATOM 486 CB PRO A 32 1.466 4.013 -15.452 1.00 0.00 C ATOM 487 CG PRO A 32 2.573 3.316 -16.221 1.00 0.00 C ATOM 488 CD PRO A 32 3.506 2.770 -15.140 1.00 0.00 C ATOM 0 HA PRO A 32 2.682 5.625 -14.609 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.716 3.312 -15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.943 4.750 -16.061 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.178 2.515 -16.846 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.094 4.009 -16.882 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.259 1.737 -14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.543 2.779 -15.476 1.00 0.00 H new ATOM 496 N VAL A 33 2.058 5.825 -12.155 1.00 0.00 N ATOM 497 CA VAL A 33 1.392 6.232 -10.910 1.00 0.00 C ATOM 498 C VAL A 33 0.411 7.458 -10.960 1.00 0.00 C ATOM 499 O VAL A 33 0.683 8.332 -11.703 1.00 0.00 O ATOM 500 CB VAL A 33 2.457 6.368 -9.805 1.00 0.00 C ATOM 501 CG1 VAL A 33 3.243 5.065 -9.461 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.604 7.434 -10.000 1.00 0.00 C ATOM 0 H VAL A 33 3.023 6.144 -12.244 1.00 0.00 H new ATOM 0 HA VAL A 33 0.687 5.430 -10.691 1.00 0.00 H new ATOM 0 HB VAL A 33 1.772 6.683 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.966 5.274 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.546 4.299 -9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.767 4.711 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.273 7.410 -9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.166 7.202 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.166 8.428 -10.090 1.00 0.00 H new ATOM 512 N LYS A 34 -0.731 7.629 -10.315 1.00 0.00 N ATOM 513 CA LYS A 34 -1.525 8.877 -10.407 1.00 0.00 C ATOM 514 C LYS A 34 -0.890 10.239 -9.969 1.00 0.00 C ATOM 515 O LYS A 34 0.096 10.613 -10.577 1.00 0.00 O ATOM 516 CB LYS A 34 -2.963 8.642 -9.860 1.00 0.00 C ATOM 517 CG LYS A 34 -4.035 9.795 -9.766 1.00 0.00 C ATOM 518 CD LYS A 34 -5.424 9.259 -9.403 1.00 0.00 C ATOM 519 CE LYS A 34 -6.671 10.141 -9.610 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.846 9.306 -9.595 1.00 0.00 N ATOM 0 H LYS A 34 -1.146 6.919 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.552 9.067 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.404 7.856 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.851 8.238 -8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.720 10.523 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.087 10.320 -10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.577 8.343 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.398 8.978 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.734 10.894 -8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.601 10.675 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.692 9.895 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.783 8.604 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.912 8.816 -8.680 1.00 0.00 H new ATOM 533 N VAL A 35 -1.351 10.932 -8.924 1.00 0.00 N ATOM 534 CA VAL A 35 -0.828 12.353 -8.619 1.00 0.00 C ATOM 535 C VAL A 35 -0.577 12.620 -7.074 1.00 0.00 C ATOM 536 O VAL A 35 -1.126 11.971 -6.194 1.00 0.00 O ATOM 537 CB VAL A 35 -1.591 13.484 -9.304 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.687 13.419 -10.849 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.025 13.644 -8.768 1.00 0.00 C ATOM 0 H VAL A 35 -2.057 10.588 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 35 0.154 12.369 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.967 14.341 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.252 14.276 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.685 13.436 -11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.192 12.499 -11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.520 14.462 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.580 12.720 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.992 13.863 -7.701 1.00 0.00 H new ATOM 549 N LYS A 36 0.204 13.666 -6.697 1.00 0.00 N ATOM 550 CA LYS A 36 0.115 14.254 -5.277 1.00 0.00 C ATOM 551 C LYS A 36 -1.345 14.604 -4.734 1.00 0.00 C ATOM 552 O LYS A 36 -2.062 15.407 -5.231 1.00 0.00 O ATOM 553 CB LYS A 36 1.226 15.237 -4.929 1.00 0.00 C ATOM 554 CG LYS A 36 1.138 16.747 -5.245 1.00 0.00 C ATOM 555 CD LYS A 36 2.546 17.514 -5.248 1.00 0.00 C ATOM 556 CE LYS A 36 2.471 19.076 -5.505 1.00 0.00 C ATOM 557 NZ LYS A 36 3.846 19.607 -5.395 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.628 13.953 -3.511 1.00 0.00 O ATOM 0 H LYS A 36 0.883 14.123 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 36 0.342 13.394 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.388 15.154 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.129 14.870 -5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.669 16.873 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.484 17.220 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.035 17.344 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.182 17.068 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.057 19.283 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.815 19.554 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.875 20.577 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.137 19.613 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.495 19.006 -5.942 1.00 0.00 H new TER 572 LYS A 36