USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=8 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= 0.00623 X(o=0.012,f=-0.16) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -164:sc= 0.00626 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0.141 (180deg=0.134) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 13:sc= 1.1 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0.653 (180deg=0.543) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc=-0.00201 (180deg=-0.00973) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.05) 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 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.931 -3.195 -2.254 1.00 0.00 N ATOM 2 CA GLU A 1 -4.198 -4.223 -3.291 1.00 0.00 C ATOM 3 C GLU A 1 -3.940 -3.570 -4.652 1.00 0.00 C ATOM 4 O GLU A 1 -4.905 -3.021 -5.227 1.00 0.00 O ATOM 5 CB GLU A 1 -5.645 -4.757 -2.931 1.00 0.00 C ATOM 6 CG GLU A 1 -6.001 -5.928 -3.888 1.00 0.00 C ATOM 7 CD GLU A 1 -7.275 -6.704 -3.504 1.00 0.00 C ATOM 8 OE1 GLU A 1 -7.287 -7.409 -2.511 1.00 0.00 O ATOM 9 OE2 GLU A 1 -8.268 -6.593 -4.401 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.096 -3.602 -1.311 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.943 -2.878 -2.326 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.567 -2.384 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.560 -5.106 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.676 -5.094 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -6.377 -3.955 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.122 -5.532 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.162 -6.624 -3.918 1.00 0.00 H new ATOM 18 N LYS A 2 -2.632 -3.388 -5.092 1.00 0.00 N ATOM 19 CA LYS A 2 -2.296 -2.668 -6.382 1.00 0.00 C ATOM 20 C LYS A 2 -2.264 -3.584 -7.677 1.00 0.00 C ATOM 21 O LYS A 2 -1.548 -4.623 -7.807 1.00 0.00 O ATOM 22 CB LYS A 2 -1.078 -1.738 -6.042 1.00 0.00 C ATOM 23 CG LYS A 2 0.308 -2.398 -5.851 1.00 0.00 C ATOM 24 CD LYS A 2 1.366 -1.202 -5.444 1.00 0.00 C ATOM 25 CE LYS A 2 2.782 -1.734 -5.102 1.00 0.00 C ATOM 26 NZ LYS A 2 3.664 -0.670 -4.590 1.00 0.00 N ATOM 0 H LYS A 2 -1.816 -3.724 -4.581 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.101 -2.023 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.989 -0.999 -6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.318 -1.194 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.268 -3.158 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.626 -2.897 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.440 -0.494 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.974 -0.654 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.701 -2.527 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.228 -2.177 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.627 -1.045 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.682 0.121 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.307 -0.334 -3.673 1.00 0.00 H new ATOM 39 N LYS A 3 -3.170 -3.236 -8.636 1.00 0.00 N ATOM 40 CA LYS A 3 -3.362 -3.997 -9.957 1.00 0.00 C ATOM 41 C LYS A 3 -2.433 -3.317 -11.063 1.00 0.00 C ATOM 42 O LYS A 3 -2.852 -2.536 -11.909 1.00 0.00 O ATOM 43 CB LYS A 3 -4.900 -3.927 -10.203 1.00 0.00 C ATOM 44 CG LYS A 3 -5.260 -5.029 -11.190 1.00 0.00 C ATOM 45 CD LYS A 3 -6.739 -5.165 -11.582 1.00 0.00 C ATOM 46 CE LYS A 3 -7.370 -3.823 -12.048 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.774 -4.016 -12.487 1.00 0.00 N ATOM 0 H LYS A 3 -3.792 -2.433 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.059 -5.044 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.444 -4.059 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.180 -2.951 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.683 -4.869 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.933 -5.980 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.831 -5.900 -12.381 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.301 -5.548 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.337 -3.100 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.784 -3.407 -12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.171 -3.104 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.800 -4.688 -13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.337 -4.391 -11.697 1.00 0.00 H new ATOM 60 N CYS A 4 -1.203 -3.786 -10.997 1.00 0.00 N ATOM 61 CA CYS A 4 -0.008 -3.244 -11.768 1.00 0.00 C ATOM 62 C CYS A 4 0.085 -3.902 -13.173 1.00 0.00 C ATOM 63 O CYS A 4 -0.670 -4.848 -13.380 1.00 0.00 O ATOM 64 CB CYS A 4 1.227 -3.472 -10.820 1.00 0.00 C ATOM 65 SG CYS A 4 1.073 -2.830 -9.150 1.00 0.00 S ATOM 0 H CYS A 4 -0.958 -4.576 -10.400 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.076 -2.182 -12.004 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.419 -4.543 -10.759 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.103 -3.017 -11.283 1.00 0.00 H new ATOM 70 N PRO A 5 0.900 -3.454 -14.254 1.00 0.00 N ATOM 71 CA PRO A 5 2.041 -2.485 -14.163 1.00 0.00 C ATOM 72 C PRO A 5 1.782 -1.129 -13.517 1.00 0.00 C ATOM 73 O PRO A 5 2.698 -0.631 -12.784 1.00 0.00 O ATOM 74 CB PRO A 5 2.483 -2.487 -15.639 1.00 0.00 C ATOM 75 CG PRO A 5 2.173 -3.895 -16.185 1.00 0.00 C ATOM 76 CD PRO A 5 0.792 -4.063 -15.602 1.00 0.00 C ATOM 0 HA PRO A 5 2.813 -2.775 -13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.948 -1.725 -16.205 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.546 -2.262 -15.726 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.180 -3.937 -17.274 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.876 -4.650 -15.832 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.038 -3.561 -16.208 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.507 -5.114 -15.545 1.00 0.00 H new ATOM 84 N GLY A 6 0.727 -0.432 -13.877 1.00 0.00 N ATOM 85 CA GLY A 6 0.652 0.985 -13.628 1.00 0.00 C ATOM 86 C GLY A 6 -0.580 1.338 -12.893 1.00 0.00 C ATOM 87 O GLY A 6 -1.700 1.244 -13.359 1.00 0.00 O ATOM 0 H GLY A 6 -0.090 -0.826 -14.343 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.523 1.302 -13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.680 1.524 -14.575 1.00 0.00 H new ATOM 91 N ARG A 7 -0.363 1.730 -11.611 1.00 0.00 N ATOM 92 CA ARG A 7 -1.410 2.034 -10.723 1.00 0.00 C ATOM 93 C ARG A 7 -0.913 2.644 -9.410 1.00 0.00 C ATOM 94 O ARG A 7 -0.260 1.953 -8.620 1.00 0.00 O ATOM 95 CB ARG A 7 -2.298 0.764 -10.448 1.00 0.00 C ATOM 96 CG ARG A 7 -3.668 1.143 -9.872 1.00 0.00 C ATOM 97 CD ARG A 7 -4.300 -0.041 -9.294 1.00 0.00 C ATOM 98 NE ARG A 7 -5.603 0.250 -8.698 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.801 0.079 -9.252 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.007 -0.342 -10.503 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.754 0.551 -8.571 1.00 0.00 N ATOM 0 H ARG A 7 0.567 1.831 -11.204 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.023 2.792 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.435 0.208 -11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.781 0.102 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.553 1.915 -9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.301 1.560 -10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.420 -0.798 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.643 -0.464 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.593 0.627 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.213 -0.557 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.958 -0.448 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.565 1.013 -7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.712 0.470 -8.911 1.00 0.00 H new ATOM 114 N CYS A 8 -1.276 3.907 -9.189 1.00 0.00 N ATOM 115 CA CYS A 8 -1.489 4.436 -7.782 1.00 0.00 C ATOM 116 C CYS A 8 -2.950 4.865 -7.410 1.00 0.00 C ATOM 117 O CYS A 8 -3.474 4.566 -6.331 1.00 0.00 O ATOM 118 CB CYS A 8 -0.382 5.502 -7.682 1.00 0.00 C ATOM 119 SG CYS A 8 -0.041 5.695 -5.937 1.00 0.00 S ATOM 0 H CYS A 8 -1.433 4.593 -9.927 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.399 3.672 -7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.512 5.189 -8.222 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.707 6.445 -8.123 1.00 0.00 H new ATOM 124 N THR A 9 -3.622 5.518 -8.357 1.00 0.00 N ATOM 125 CA THR A 9 -4.976 4.828 -8.727 1.00 0.00 C ATOM 126 C THR A 9 -5.181 4.766 -10.293 1.00 0.00 C ATOM 127 O THR A 9 -5.595 3.743 -10.809 1.00 0.00 O ATOM 128 CB THR A 9 -6.119 5.377 -7.800 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.964 5.071 -6.440 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.556 4.902 -8.063 1.00 0.00 C ATOM 0 H THR A 9 -3.362 6.376 -8.843 1.00 0.00 H new ATOM 0 HA THR A 9 -4.988 3.763 -8.495 1.00 0.00 H new ATOM 0 HB THR A 9 -6.002 6.431 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.054 4.744 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.230 5.367 -7.344 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.853 5.184 -9.073 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.606 3.818 -7.959 1.00 0.00 H new ATOM 138 N LEU A 10 -4.781 5.761 -11.100 1.00 0.00 N ATOM 139 CA LEU A 10 -4.706 5.699 -12.600 1.00 0.00 C ATOM 140 C LEU A 10 -3.224 5.877 -13.093 1.00 0.00 C ATOM 141 O LEU A 10 -2.251 5.471 -12.408 1.00 0.00 O ATOM 142 CB LEU A 10 -5.873 6.518 -13.367 1.00 0.00 C ATOM 143 CG LEU A 10 -6.031 8.044 -13.048 1.00 0.00 C ATOM 144 CD1 LEU A 10 -4.705 8.818 -13.058 1.00 0.00 C ATOM 145 CD2 LEU A 10 -6.996 8.721 -14.028 1.00 0.00 C ATOM 0 H LEU A 10 -4.488 6.666 -10.733 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.969 4.691 -12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.703 6.417 -14.439 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.823 6.031 -13.147 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.431 8.078 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.894 9.867 -12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.033 8.398 -12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.245 8.739 -14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.084 9.779 -13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.615 8.617 -15.044 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.976 8.249 -13.958 1.00 0.00 H new ATOM 157 N LYS A 11 -3.064 6.303 -14.349 1.00 0.00 N ATOM 158 CA LYS A 11 -1.759 6.559 -15.010 1.00 0.00 C ATOM 159 C LYS A 11 -1.047 7.894 -14.632 1.00 0.00 C ATOM 160 O LYS A 11 -1.562 8.704 -13.870 1.00 0.00 O ATOM 161 CB LYS A 11 -2.057 6.379 -16.594 1.00 0.00 C ATOM 162 CG LYS A 11 -1.885 4.868 -17.141 1.00 0.00 C ATOM 163 CD LYS A 11 -2.527 3.749 -16.296 1.00 0.00 C ATOM 164 CE LYS A 11 -2.306 2.305 -16.829 1.00 0.00 C ATOM 165 NZ LYS A 11 -3.128 1.390 -15.981 1.00 0.00 N ATOM 0 H LYS A 11 -3.858 6.488 -14.962 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.011 5.852 -14.653 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.074 6.713 -16.800 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.388 7.033 -17.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.305 4.820 -18.146 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.819 4.658 -17.231 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.131 3.809 -15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.599 3.935 -16.231 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.604 2.231 -17.875 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.252 2.033 -16.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.198 0.460 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.678 1.282 -15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.081 1.790 -15.861 1.00 0.00 H new ATOM 178 N CYS A 12 0.146 8.164 -15.265 1.00 0.00 N ATOM 179 CA CYS A 12 1.038 9.251 -14.841 1.00 0.00 C ATOM 180 C CYS A 12 0.928 10.598 -15.587 1.00 0.00 C ATOM 181 O CYS A 12 0.463 10.638 -16.705 1.00 0.00 O ATOM 182 CB CYS A 12 2.476 8.709 -14.751 1.00 0.00 C ATOM 183 SG CYS A 12 3.104 8.665 -13.009 1.00 0.00 S ATOM 0 H CYS A 12 0.491 7.633 -16.065 1.00 0.00 H new ATOM 0 HA CYS A 12 0.685 9.554 -13.855 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.510 7.704 -15.172 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.135 9.331 -15.357 1.00 0.00 H new ATOM 188 N GLY A 13 1.375 11.751 -14.931 1.00 0.00 N ATOM 189 CA GLY A 13 1.191 13.154 -15.437 1.00 0.00 C ATOM 190 C GLY A 13 2.283 14.149 -15.100 1.00 0.00 C ATOM 191 O GLY A 13 3.130 14.498 -15.981 1.00 0.00 O ATOM 0 H GLY A 13 1.870 11.713 -14.040 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.091 13.114 -16.522 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.249 13.537 -15.044 1.00 0.00 H new ATOM 195 N LYS A 14 2.314 14.642 -13.869 1.00 0.00 N ATOM 196 CA LYS A 14 3.306 15.636 -13.386 1.00 0.00 C ATOM 197 C LYS A 14 4.860 15.215 -13.371 1.00 0.00 C ATOM 198 O LYS A 14 5.537 15.430 -14.362 1.00 0.00 O ATOM 199 CB LYS A 14 2.742 16.301 -12.101 1.00 0.00 C ATOM 200 CG LYS A 14 1.813 17.500 -12.075 1.00 0.00 C ATOM 201 CD LYS A 14 1.773 17.991 -10.599 1.00 0.00 C ATOM 202 CE LYS A 14 0.644 18.860 -10.105 1.00 0.00 C ATOM 203 NZ LYS A 14 0.672 19.092 -8.647 1.00 0.00 N ATOM 0 H LYS A 14 1.643 14.366 -13.152 1.00 0.00 H new ATOM 0 HA LYS A 14 3.406 16.397 -14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.225 15.510 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.610 16.582 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.175 18.287 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.816 17.227 -12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.795 17.104 -9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.700 18.536 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.685 19.821 -10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.305 18.395 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.111 19.723 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.570 18.185 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.577 19.532 -8.383 1.00 0.00 H new ATOM 216 N HIS A 15 5.399 14.749 -12.203 1.00 0.00 N ATOM 217 CA HIS A 15 6.786 14.203 -12.259 1.00 0.00 C ATOM 218 C HIS A 15 6.717 12.682 -12.032 1.00 0.00 C ATOM 219 O HIS A 15 6.663 12.173 -10.914 1.00 0.00 O ATOM 220 CB HIS A 15 7.703 15.110 -11.338 1.00 0.00 C ATOM 221 CG HIS A 15 9.243 14.846 -11.453 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.942 14.092 -12.458 1.00 0.00 N ATOM 223 CD2 HIS A 15 10.176 15.487 -10.644 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.218 14.351 -12.075 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.457 15.171 -11.040 1.00 0.00 N ATOM 0 H HIS A 15 4.942 14.738 -11.291 1.00 0.00 H new ATOM 0 HA HIS A 15 7.286 14.266 -13.226 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.512 16.155 -11.581 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.403 14.964 -10.300 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.930 16.141 -9.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.042 13.896 -12.604 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.348 15.478 -10.651 1.00 0.00 H new ATOM 233 N GLU A 16 6.622 12.072 -13.188 1.00 0.00 N ATOM 234 CA GLU A 16 6.201 10.683 -13.351 1.00 0.00 C ATOM 235 C GLU A 16 7.168 9.573 -12.779 1.00 0.00 C ATOM 236 O GLU A 16 8.267 9.248 -13.192 1.00 0.00 O ATOM 237 CB GLU A 16 5.902 10.451 -14.882 1.00 0.00 C ATOM 238 CG GLU A 16 4.949 11.466 -15.610 1.00 0.00 C ATOM 239 CD GLU A 16 4.742 11.271 -17.079 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.069 10.267 -17.678 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.303 12.380 -17.642 1.00 0.00 O ATOM 0 H GLU A 16 6.839 12.532 -14.072 1.00 0.00 H new ATOM 0 HA GLU A 16 5.314 10.557 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.855 10.449 -15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.474 9.454 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.975 11.425 -15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.342 12.471 -15.454 1.00 0.00 H new ATOM 249 N ARG A 17 6.825 9.007 -11.595 1.00 0.00 N ATOM 250 CA ARG A 17 7.798 8.521 -10.559 1.00 0.00 C ATOM 251 C ARG A 17 7.341 7.227 -9.802 1.00 0.00 C ATOM 252 O ARG A 17 6.351 7.290 -9.085 1.00 0.00 O ATOM 253 CB ARG A 17 7.957 9.665 -9.504 1.00 0.00 C ATOM 254 CG ARG A 17 9.179 9.437 -8.565 1.00 0.00 C ATOM 255 CD ARG A 17 10.544 9.876 -9.070 1.00 0.00 C ATOM 256 NE ARG A 17 11.133 9.060 -10.178 1.00 0.00 N ATOM 257 CZ ARG A 17 12.303 9.392 -10.688 1.00 0.00 C ATOM 258 NH1 ARG A 17 13.116 10.283 -10.230 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.635 8.782 -11.800 1.00 0.00 N ATOM 0 H ARG A 17 5.853 8.869 -11.320 1.00 0.00 H new ATOM 0 HA ARG A 17 8.724 8.268 -11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.071 10.619 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.049 9.733 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.984 9.957 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.232 8.373 -8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.468 10.909 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.239 9.866 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 17 10.630 8.249 -10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.874 10.811 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.000 10.460 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.002 8.099 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.526 8.991 -12.250 1.00 0.00 H new ATOM 272 N PRO A 18 8.084 6.084 -9.671 1.00 0.00 N ATOM 273 CA PRO A 18 7.659 4.860 -8.934 1.00 0.00 C ATOM 274 C PRO A 18 7.697 4.989 -7.393 1.00 0.00 C ATOM 275 O PRO A 18 8.748 5.381 -6.895 1.00 0.00 O ATOM 276 CB PRO A 18 8.644 3.764 -9.473 1.00 0.00 C ATOM 277 CG PRO A 18 9.875 4.473 -10.047 1.00 0.00 C ATOM 278 CD PRO A 18 9.363 5.855 -10.391 1.00 0.00 C ATOM 0 HA PRO A 18 6.609 4.629 -9.111 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.935 3.086 -8.671 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.159 3.161 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.687 4.516 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.260 3.958 -10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.096 6.610 -10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.212 5.945 -11.467 1.00 0.00 H new ATOM 286 N THR A 19 6.638 4.480 -6.735 1.00 0.00 N ATOM 287 CA THR A 19 6.684 4.185 -5.259 1.00 0.00 C ATOM 288 C THR A 19 6.626 5.488 -4.267 1.00 0.00 C ATOM 289 O THR A 19 6.043 5.420 -3.151 1.00 0.00 O ATOM 290 CB THR A 19 7.632 3.032 -4.849 1.00 0.00 C ATOM 291 OG1 THR A 19 7.617 2.022 -5.879 1.00 0.00 O ATOM 292 CG2 THR A 19 7.402 2.229 -3.632 1.00 0.00 C ATOM 0 H THR A 19 5.746 4.262 -7.179 1.00 0.00 H new ATOM 0 HA THR A 19 5.707 3.745 -5.062 1.00 0.00 H new ATOM 0 HB THR A 19 8.537 3.612 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.217 1.289 -5.627 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.186 1.477 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.417 2.880 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.432 1.736 -3.700 1.00 0.00 H new ATOM 300 N LEU A 20 7.372 6.579 -4.617 1.00 0.00 N ATOM 301 CA LEU A 20 7.595 7.777 -3.787 1.00 0.00 C ATOM 302 C LEU A 20 6.305 8.571 -3.706 1.00 0.00 C ATOM 303 O LEU A 20 5.753 8.970 -4.752 1.00 0.00 O ATOM 304 CB LEU A 20 8.612 8.677 -4.561 1.00 0.00 C ATOM 305 CG LEU A 20 10.001 8.233 -5.085 1.00 0.00 C ATOM 306 CD1 LEU A 20 10.955 9.421 -4.933 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.773 7.053 -4.409 1.00 0.00 C ATOM 0 H LEU A 20 7.846 6.638 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 20 7.942 7.494 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.073 9.049 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.801 9.533 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 20 9.748 7.879 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.945 9.141 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.582 10.264 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.019 9.705 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.722 6.898 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.960 7.293 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.175 6.144 -4.471 1.00 0.00 H new ATOM 319 N PRO A 21 5.639 8.914 -2.548 1.00 0.00 N ATOM 320 CA PRO A 21 4.375 9.742 -2.541 1.00 0.00 C ATOM 321 C PRO A 21 4.622 11.273 -2.843 1.00 0.00 C ATOM 322 O PRO A 21 4.886 12.130 -1.971 1.00 0.00 O ATOM 323 CB PRO A 21 3.821 9.362 -1.098 1.00 0.00 C ATOM 324 CG PRO A 21 5.068 9.142 -0.231 1.00 0.00 C ATOM 325 CD PRO A 21 6.047 8.551 -1.208 1.00 0.00 C ATOM 0 HA PRO A 21 3.656 9.539 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.197 10.159 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.205 8.463 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.435 10.076 0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.869 8.467 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.053 8.920 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.078 7.467 -1.103 1.00 0.00 H new ATOM 333 N TYR A 22 4.656 11.616 -4.114 1.00 0.00 N ATOM 334 CA TYR A 22 5.621 12.662 -4.597 1.00 0.00 C ATOM 335 C TYR A 22 4.924 13.960 -5.338 1.00 0.00 C ATOM 336 O TYR A 22 4.940 15.099 -4.901 1.00 0.00 O ATOM 337 CB TYR A 22 6.570 11.867 -5.524 1.00 0.00 C ATOM 338 CG TYR A 22 7.694 12.632 -6.150 1.00 0.00 C ATOM 339 CD1 TYR A 22 8.877 12.828 -5.464 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.768 12.839 -7.515 1.00 0.00 C ATOM 341 CE1 TYR A 22 10.088 13.033 -6.067 1.00 0.00 C ATOM 342 CE2 TYR A 22 8.993 13.001 -8.183 1.00 0.00 C ATOM 343 CZ TYR A 22 10.147 13.168 -7.454 1.00 0.00 C ATOM 344 OH TYR A 22 11.361 13.193 -8.047 1.00 0.00 O ATOM 0 H TYR A 22 4.057 11.217 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 22 6.136 13.145 -3.767 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.996 11.044 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.974 11.424 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.844 12.819 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.853 12.877 -8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.989 13.090 -5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.028 12.994 -9.262 1.00 0.00 H new ATOM 0 HH TYR A 22 11.250 13.290 -9.016 1.00 0.00 H new ATOM 354 N ASN A 23 4.642 13.803 -6.684 1.00 0.00 N ATOM 355 CA ASN A 23 4.265 14.872 -7.699 1.00 0.00 C ATOM 356 C ASN A 23 3.427 14.270 -8.859 1.00 0.00 C ATOM 357 O ASN A 23 2.317 14.788 -9.118 1.00 0.00 O ATOM 358 CB ASN A 23 5.484 15.648 -8.182 1.00 0.00 C ATOM 359 CG ASN A 23 6.164 16.721 -7.327 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.629 17.807 -6.984 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.404 16.510 -6.940 1.00 0.00 N ATOM 0 H ASN A 23 4.673 12.879 -7.115 1.00 0.00 H new ATOM 0 HA ASN A 23 3.627 15.602 -7.200 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.249 14.910 -8.424 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.198 16.129 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.892 17.213 -6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.877 15.643 -7.195 1.00 0.00 H new ATOM 368 N CYS A 24 3.855 13.143 -9.543 1.00 0.00 N ATOM 369 CA CYS A 24 2.922 12.008 -9.831 1.00 0.00 C ATOM 370 C CYS A 24 2.554 11.273 -8.521 1.00 0.00 C ATOM 371 O CYS A 24 2.549 11.878 -7.384 1.00 0.00 O ATOM 372 CB CYS A 24 3.646 11.109 -10.850 1.00 0.00 C ATOM 373 SG CYS A 24 2.356 10.172 -11.856 1.00 0.00 S ATOM 0 H CYS A 24 4.805 13.009 -9.888 1.00 0.00 H new ATOM 0 HA CYS A 24 1.973 12.342 -10.250 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.272 11.712 -11.507 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.305 10.409 -10.335 1.00 0.00 H new ATOM 378 N GLY A 25 2.103 10.012 -8.528 1.00 0.00 N ATOM 379 CA GLY A 25 1.287 9.401 -7.451 1.00 0.00 C ATOM 380 C GLY A 25 1.551 9.411 -5.944 1.00 0.00 C ATOM 381 O GLY A 25 2.674 9.107 -5.481 1.00 0.00 O ATOM 0 H GLY A 25 2.295 9.368 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.294 9.834 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.209 8.347 -7.718 1.00 0.00 H new ATOM 385 N LYS A 26 0.536 9.771 -5.232 1.00 0.00 N ATOM 386 CA LYS A 26 0.523 9.868 -3.730 1.00 0.00 C ATOM 387 C LYS A 26 -0.361 8.795 -2.960 1.00 0.00 C ATOM 388 O LYS A 26 -0.830 9.073 -1.859 1.00 0.00 O ATOM 389 CB LYS A 26 0.206 11.357 -3.330 1.00 0.00 C ATOM 390 CG LYS A 26 0.554 11.759 -1.874 1.00 0.00 C ATOM 391 CD LYS A 26 -0.034 13.163 -1.462 1.00 0.00 C ATOM 392 CE LYS A 26 0.731 13.741 -0.238 1.00 0.00 C ATOM 393 NZ LYS A 26 0.389 15.184 0.005 1.00 0.00 N ATOM 0 H LYS A 26 -0.359 10.024 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 26 1.520 9.593 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.748 12.017 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.857 11.537 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.173 10.998 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.638 11.777 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.039 13.854 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.093 13.063 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.490 13.156 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.804 13.645 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.919 15.532 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.642 15.746 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.631 15.273 0.187 1.00 0.00 H new ATOM 406 N TYR A 27 -0.625 7.602 -3.532 1.00 0.00 N ATOM 407 CA TYR A 27 -1.776 6.693 -3.220 1.00 0.00 C ATOM 408 C TYR A 27 -1.285 5.257 -2.989 1.00 0.00 C ATOM 409 O TYR A 27 -0.649 4.978 -1.939 1.00 0.00 O ATOM 410 CB TYR A 27 -2.865 6.896 -4.363 1.00 0.00 C ATOM 411 CG TYR A 27 -3.593 8.213 -4.524 1.00 0.00 C ATOM 412 CD1 TYR A 27 -4.725 8.572 -3.759 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.109 9.189 -5.409 1.00 0.00 C ATOM 414 CE1 TYR A 27 -5.219 9.853 -3.744 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.695 10.432 -5.536 1.00 0.00 C ATOM 416 CZ TYR A 27 -4.712 10.770 -4.665 1.00 0.00 C ATOM 417 OH TYR A 27 -5.372 11.969 -4.747 1.00 0.00 O ATOM 0 H TYR A 27 -0.021 7.218 -4.259 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.266 6.938 -2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.373 6.685 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.624 6.127 -4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.218 7.815 -3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.245 8.958 -6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.981 10.144 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.366 11.123 -6.298 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.938 12.536 -5.418 1.00 0.00 H new ATOM 427 N ILE A 28 -1.549 4.216 -3.887 1.00 0.00 N ATOM 428 CA ILE A 28 -0.948 2.820 -3.735 1.00 0.00 C ATOM 429 C ILE A 28 0.082 2.507 -4.968 1.00 0.00 C ATOM 430 O ILE A 28 -0.172 1.766 -5.875 1.00 0.00 O ATOM 431 CB ILE A 28 -2.116 1.737 -3.636 1.00 0.00 C ATOM 432 CG1 ILE A 28 -3.379 1.727 -4.588 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.596 1.705 -2.148 1.00 0.00 C ATOM 434 CD1 ILE A 28 -3.121 1.516 -6.060 1.00 0.00 C ATOM 0 H ILE A 28 -2.157 4.317 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.369 2.769 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.610 0.854 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.056 0.944 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.903 2.675 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.397 0.974 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.762 1.428 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.964 2.691 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.067 1.530 -6.601 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.477 2.312 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.632 0.553 -6.209 1.00 0.00 H new ATOM 446 N CYS A 29 1.222 3.170 -4.851 1.00 0.00 N ATOM 447 CA CYS A 29 2.116 3.505 -6.011 1.00 0.00 C ATOM 448 C CYS A 29 3.050 2.353 -6.680 1.00 0.00 C ATOM 449 O CYS A 29 4.145 2.035 -6.230 1.00 0.00 O ATOM 450 CB CYS A 29 2.831 4.801 -5.582 1.00 0.00 C ATOM 451 SG CYS A 29 1.828 6.340 -5.783 1.00 0.00 S ATOM 0 H CYS A 29 1.578 3.504 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 29 1.499 3.630 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.124 4.709 -4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.748 4.903 -6.162 1.00 0.00 H new ATOM 456 N CYS A 30 2.542 1.676 -7.730 1.00 0.00 N ATOM 457 CA CYS A 30 3.428 1.042 -8.713 1.00 0.00 C ATOM 458 C CYS A 30 4.259 2.088 -9.583 1.00 0.00 C ATOM 459 O CYS A 30 5.120 2.751 -9.022 1.00 0.00 O ATOM 460 CB CYS A 30 2.456 0.099 -9.449 1.00 0.00 C ATOM 461 SG CYS A 30 2.549 -1.537 -8.644 1.00 0.00 S ATOM 0 H CYS A 30 1.545 1.558 -7.913 1.00 0.00 H new ATOM 0 HA CYS A 30 4.266 0.482 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.439 0.489 -9.406 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.723 0.022 -10.503 1.00 0.00 H new ATOM 466 N VAL A 31 3.998 2.124 -10.947 1.00 0.00 N ATOM 467 CA VAL A 31 4.926 2.893 -11.894 1.00 0.00 C ATOM 468 C VAL A 31 4.382 3.881 -12.964 1.00 0.00 C ATOM 469 O VAL A 31 4.702 5.037 -12.880 1.00 0.00 O ATOM 470 CB VAL A 31 6.321 2.175 -12.137 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.244 0.803 -12.867 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.351 3.006 -13.014 1.00 0.00 C ATOM 0 H VAL A 31 3.207 1.663 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 31 5.137 3.768 -11.280 1.00 0.00 H new ATOM 0 HB VAL A 31 6.653 2.063 -11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.248 0.396 -12.984 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.639 0.112 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.791 0.938 -13.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.274 2.438 -13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.920 3.198 -13.997 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.567 3.954 -12.521 1.00 0.00 H new ATOM 482 N PRO A 32 3.486 3.524 -13.856 1.00 0.00 N ATOM 483 CA PRO A 32 2.402 4.468 -14.335 1.00 0.00 C ATOM 484 C PRO A 32 1.357 4.811 -13.156 1.00 0.00 C ATOM 485 O PRO A 32 0.219 4.389 -13.107 1.00 0.00 O ATOM 486 CB PRO A 32 1.855 3.859 -15.658 1.00 0.00 C ATOM 487 CG PRO A 32 2.758 2.645 -15.998 1.00 0.00 C ATOM 488 CD PRO A 32 3.663 2.393 -14.787 1.00 0.00 C ATOM 0 HA PRO A 32 2.757 5.469 -14.581 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.817 3.548 -15.540 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.878 4.595 -16.461 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.152 1.765 -16.214 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.355 2.848 -16.887 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.401 1.453 -14.302 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.705 2.312 -15.097 1.00 0.00 H new ATOM 496 N VAL A 33 1.824 5.445 -12.066 1.00 0.00 N ATOM 497 CA VAL A 33 1.059 5.996 -10.931 1.00 0.00 C ATOM 498 C VAL A 33 0.203 7.359 -11.073 1.00 0.00 C ATOM 499 O VAL A 33 0.655 8.144 -11.871 1.00 0.00 O ATOM 500 CB VAL A 33 2.161 6.288 -9.868 1.00 0.00 C ATOM 501 CG1 VAL A 33 2.812 4.974 -9.365 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.260 7.220 -10.299 1.00 0.00 C ATOM 0 H VAL A 33 2.825 5.598 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 33 0.280 5.260 -10.735 1.00 0.00 H new ATOM 0 HB VAL A 33 1.615 6.799 -9.075 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.577 5.207 -8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.050 4.340 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.268 4.449 -10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.969 7.350 -9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.776 6.800 -11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.833 8.187 -10.566 1.00 0.00 H new ATOM 512 N LYS A 34 -0.892 7.638 -10.289 1.00 0.00 N ATOM 513 CA LYS A 34 -1.663 8.944 -10.361 1.00 0.00 C ATOM 514 C LYS A 34 -0.998 10.420 -10.104 1.00 0.00 C ATOM 515 O LYS A 34 -0.144 10.804 -10.919 1.00 0.00 O ATOM 516 CB LYS A 34 -2.878 8.478 -9.468 1.00 0.00 C ATOM 517 CG LYS A 34 -4.056 9.513 -9.377 1.00 0.00 C ATOM 518 CD LYS A 34 -5.269 8.899 -8.666 1.00 0.00 C ATOM 519 CE LYS A 34 -6.315 9.969 -8.510 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.550 9.446 -7.879 1.00 0.00 N ATOM 0 H LYS A 34 -1.264 6.983 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.853 9.281 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.266 7.540 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.514 8.272 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.725 10.401 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.341 9.835 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.664 8.063 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.979 8.506 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.915 10.783 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.556 10.387 -9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.246 10.214 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.946 8.687 -8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.325 9.070 -6.936 1.00 0.00 H new ATOM 533 N VAL A 35 -1.398 11.204 -9.083 1.00 0.00 N ATOM 534 CA VAL A 35 -0.826 12.604 -8.767 1.00 0.00 C ATOM 535 C VAL A 35 -0.451 12.874 -7.243 1.00 0.00 C ATOM 536 O VAL A 35 -0.892 12.075 -6.407 1.00 0.00 O ATOM 537 CB VAL A 35 -1.602 13.783 -9.471 1.00 0.00 C ATOM 538 CG1 VAL A 35 -1.756 13.631 -11.025 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.994 14.054 -8.834 1.00 0.00 C ATOM 0 H VAL A 35 -2.127 10.918 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 35 0.153 12.587 -9.245 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.957 14.645 -9.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.302 14.487 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.769 13.584 -11.486 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.304 12.716 -11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.481 14.875 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.610 13.158 -8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.868 14.319 -7.784 1.00 0.00 H new ATOM 549 N LYS A 36 0.310 13.950 -6.892 1.00 0.00 N ATOM 550 CA LYS A 36 0.180 14.568 -5.549 1.00 0.00 C ATOM 551 C LYS A 36 -1.167 15.328 -5.262 1.00 0.00 C ATOM 552 O LYS A 36 -1.862 15.934 -6.101 1.00 0.00 O ATOM 553 CB LYS A 36 1.475 15.334 -5.152 1.00 0.00 C ATOM 554 CG LYS A 36 1.443 16.837 -5.629 1.00 0.00 C ATOM 555 CD LYS A 36 2.624 17.710 -5.032 1.00 0.00 C ATOM 556 CE LYS A 36 2.768 19.074 -5.729 1.00 0.00 C ATOM 557 NZ LYS A 36 3.875 19.872 -5.213 1.00 0.00 N ATOM 558 OXT LYS A 36 -1.450 15.273 -3.938 1.00 0.00 O ATOM 0 H LYS A 36 0.998 14.392 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 36 0.085 13.735 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.599 15.300 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.340 14.834 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.493 16.867 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.490 17.282 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.451 17.868 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.560 17.159 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.911 18.915 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.840 19.634 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.761 20.860 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.881 19.827 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.773 19.499 -5.581 1.00 0.00 H new TER 572 LYS A 36