USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 297 hydrogens (2 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 26 HIS : no HE2:sc= 0.406 K(o=0.048,f=-9.3!) USER MOD Set 1.2: A 29 ASN : amide:sc= -0.358 K(o=0.048,f=-3.6!) USER MOD Single : A 1 TYR N :NH3+ -129:sc= -2.51! (180deg=-5.49!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -119:sc= 0.829 USER MOD Single : A 18 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -88:sc= -0.435 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -12:sc= 1.18 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 35.309 6.428 -10.404 1.00 0.00 N ATOM 2 CA TYR A 1 36.620 5.998 -9.863 1.00 0.00 C ATOM 3 C TYR A 1 36.467 5.303 -8.506 1.00 0.00 C ATOM 4 O TYR A 1 37.067 4.250 -8.290 1.00 0.00 O ATOM 5 CB TYR A 1 37.586 7.182 -9.762 1.00 0.00 C ATOM 6 CG TYR A 1 38.835 6.987 -10.586 1.00 0.00 C ATOM 7 CD1 TYR A 1 39.819 6.098 -10.179 1.00 0.00 C ATOM 8 CD2 TYR A 1 39.022 7.675 -11.776 1.00 0.00 C ATOM 9 CE1 TYR A 1 40.957 5.904 -10.933 1.00 0.00 C ATOM 10 CE2 TYR A 1 40.158 7.485 -12.536 1.00 0.00 C ATOM 11 CZ TYR A 1 41.123 6.598 -12.110 1.00 0.00 C ATOM 12 OH TYR A 1 42.259 6.405 -12.862 1.00 0.00 O ATOM 0 H1 TYR A 1 35.208 6.088 -11.382 1.00 0.00 H new ATOM 0 H2 TYR A 1 34.545 6.032 -9.819 1.00 0.00 H new ATOM 0 H3 TYR A 1 35.252 7.466 -10.392 1.00 0.00 H new ATOM 0 HA TYR A 1 37.040 5.273 -10.560 1.00 0.00 H new ATOM 0 HB2 TYR A 1 37.078 8.089 -10.089 1.00 0.00 H new ATOM 0 HB3 TYR A 1 37.864 7.331 -8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 1 39.692 5.549 -9.257 1.00 0.00 H new ATOM 0 HD2 TYR A 1 38.267 8.370 -12.113 1.00 0.00 H new ATOM 0 HE1 TYR A 1 41.715 5.210 -10.601 1.00 0.00 H new ATOM 0 HE2 TYR A 1 40.290 8.029 -13.460 1.00 0.00 H new ATOM 0 HH TYR A 1 42.221 6.969 -13.663 1.00 0.00 H new ATOM 24 N PRO A 2 35.693 5.870 -7.550 1.00 0.00 N ATOM 25 CA PRO A 2 35.372 5.165 -6.308 1.00 0.00 C ATOM 26 C PRO A 2 34.546 3.915 -6.587 1.00 0.00 C ATOM 27 O PRO A 2 33.972 3.776 -7.667 1.00 0.00 O ATOM 28 CB PRO A 2 34.560 6.183 -5.500 1.00 0.00 C ATOM 29 CG PRO A 2 34.045 7.148 -6.508 1.00 0.00 C ATOM 30 CD PRO A 2 35.097 7.219 -7.574 1.00 0.00 C ATOM 0 HA PRO A 2 36.263 4.825 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 2 33.744 5.700 -4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 2 35.181 6.682 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 2 33.092 6.814 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.873 8.127 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 2 34.668 7.452 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 2 35.837 7.990 -7.359 1.00 0.00 H new ATOM 38 N ILE A 3 34.472 3.017 -5.617 1.00 0.00 N ATOM 39 CA ILE A 3 33.790 1.758 -5.817 1.00 0.00 C ATOM 40 C ILE A 3 32.326 1.856 -5.344 1.00 0.00 C ATOM 41 O ILE A 3 31.623 2.795 -5.715 1.00 0.00 O ATOM 42 CB ILE A 3 34.584 0.597 -5.137 1.00 0.00 C ATOM 43 CG1 ILE A 3 34.007 -0.777 -5.515 1.00 0.00 C ATOM 44 CG2 ILE A 3 34.663 0.763 -3.623 1.00 0.00 C ATOM 45 CD1 ILE A 3 34.399 -1.232 -6.903 1.00 0.00 C ATOM 0 H ILE A 3 34.876 3.140 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 3 33.753 1.527 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 3 35.604 0.648 -5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 3 34.345 -1.517 -4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.920 -0.737 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 3 35.224 -0.068 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 3 35.165 1.701 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 3 33.656 0.775 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 3 33.958 -2.208 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 3 34.038 -0.512 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 3 35.485 -1.304 -6.969 1.00 0.00 H new ATOM 57 N LYS A 4 31.894 0.926 -4.510 1.00 0.00 N ATOM 58 CA LYS A 4 30.496 0.782 -4.125 1.00 0.00 C ATOM 59 C LYS A 4 30.335 -0.493 -3.310 1.00 0.00 C ATOM 60 O LYS A 4 31.134 -1.419 -3.453 1.00 0.00 O ATOM 61 CB LYS A 4 29.599 0.706 -5.369 1.00 0.00 C ATOM 62 CG LYS A 4 28.451 1.703 -5.368 1.00 0.00 C ATOM 63 CD LYS A 4 27.767 1.754 -6.725 1.00 0.00 C ATOM 64 CE LYS A 4 27.006 0.470 -7.020 1.00 0.00 C ATOM 65 NZ LYS A 4 27.483 -0.179 -8.269 1.00 0.00 N ATOM 0 H LYS A 4 32.510 0.240 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 4 30.200 1.648 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 4 30.211 0.873 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 4 29.191 -0.302 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.726 1.426 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 28.826 2.693 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 4 27.080 2.599 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.512 1.922 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 4 27.121 -0.221 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 25.942 0.690 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 26.941 -1.051 -8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 27.350 0.471 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 28.492 -0.412 -8.176 1.00 0.00 H new ATOM 79 N PRO A 5 29.329 -0.556 -2.428 1.00 0.00 N ATOM 80 CA PRO A 5 29.008 -1.777 -1.697 1.00 0.00 C ATOM 81 C PRO A 5 28.283 -2.777 -2.590 1.00 0.00 C ATOM 82 O PRO A 5 27.635 -2.387 -3.565 1.00 0.00 O ATOM 83 CB PRO A 5 28.080 -1.305 -0.567 1.00 0.00 C ATOM 84 CG PRO A 5 28.059 0.189 -0.647 1.00 0.00 C ATOM 85 CD PRO A 5 28.435 0.542 -2.055 1.00 0.00 C ATOM 0 HA PRO A 5 29.901 -2.284 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 5 27.078 -1.716 -0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 5 28.447 -1.639 0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 5 27.071 0.577 -0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 5 28.760 0.626 0.064 1.00 0.00 H new ATOM 0 HD2 PRO A 5 27.563 0.595 -2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 5 28.934 1.509 -2.112 1.00 0.00 H new ATOM 93 N GLU A 6 28.405 -4.058 -2.270 1.00 0.00 N ATOM 94 CA GLU A 6 27.733 -5.099 -3.033 1.00 0.00 C ATOM 95 C GLU A 6 26.219 -4.916 -3.006 1.00 0.00 C ATOM 96 O GLU A 6 25.546 -5.148 -4.010 1.00 0.00 O ATOM 97 CB GLU A 6 28.097 -6.477 -2.483 1.00 0.00 C ATOM 98 CG GLU A 6 29.434 -6.994 -2.981 1.00 0.00 C ATOM 99 CD GLU A 6 30.544 -6.805 -1.969 1.00 0.00 C ATOM 100 OE1 GLU A 6 30.398 -5.949 -1.069 1.00 0.00 O ATOM 101 OE2 GLU A 6 31.565 -7.517 -2.071 1.00 0.00 O ATOM 0 H GLU A 6 28.963 -4.400 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 6 28.068 -5.023 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 6 28.117 -6.431 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 6 27.317 -7.187 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 29.343 -8.053 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 6 29.698 -6.479 -3.905 1.00 0.00 H new ATOM 108 N ALA A 7 25.705 -4.480 -1.854 1.00 0.00 N ATOM 109 CA ALA A 7 24.266 -4.324 -1.641 1.00 0.00 C ATOM 110 C ALA A 7 23.516 -5.599 -2.032 1.00 0.00 C ATOM 111 O ALA A 7 22.738 -5.610 -2.986 1.00 0.00 O ATOM 112 CB ALA A 7 23.735 -3.124 -2.413 1.00 0.00 C ATOM 0 H ALA A 7 26.273 -4.226 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 7 24.097 -4.147 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.663 -3.026 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 7 24.241 -2.220 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 7 23.920 -3.266 -3.478 1.00 0.00 H new ATOM 118 N PRO A 8 23.737 -6.691 -1.284 1.00 0.00 N ATOM 119 CA PRO A 8 23.215 -8.017 -1.634 1.00 0.00 C ATOM 120 C PRO A 8 21.696 -8.107 -1.540 1.00 0.00 C ATOM 121 O PRO A 8 21.073 -8.891 -2.254 1.00 0.00 O ATOM 122 CB PRO A 8 23.869 -8.951 -0.604 1.00 0.00 C ATOM 123 CG PRO A 8 24.966 -8.152 0.012 1.00 0.00 C ATOM 124 CD PRO A 8 24.508 -6.728 -0.038 1.00 0.00 C ATOM 0 HA PRO A 8 23.444 -8.270 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 8 23.148 -9.274 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 8 24.258 -9.851 -1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 8 25.151 -8.468 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 8 25.900 -8.282 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 8 23.897 -6.467 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 8 25.346 -6.032 -0.058 1.00 0.00 H new ATOM 132 N GLY A 9 21.101 -7.310 -0.659 1.00 0.00 N ATOM 133 CA GLY A 9 19.669 -7.337 -0.497 1.00 0.00 C ATOM 134 C GLY A 9 19.256 -6.737 0.823 1.00 0.00 C ATOM 135 O GLY A 9 19.828 -5.740 1.260 1.00 0.00 O ATOM 0 H GLY A 9 21.590 -6.648 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.198 -6.787 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 9 19.313 -8.365 -0.559 1.00 0.00 H new ATOM 139 N GLU A 10 18.289 -7.353 1.473 1.00 0.00 N ATOM 140 CA GLU A 10 17.796 -6.852 2.744 1.00 0.00 C ATOM 141 C GLU A 10 18.217 -7.772 3.883 1.00 0.00 C ATOM 142 O GLU A 10 18.112 -7.421 5.060 1.00 0.00 O ATOM 143 CB GLU A 10 16.274 -6.727 2.703 1.00 0.00 C ATOM 144 CG GLU A 10 15.723 -5.642 3.606 1.00 0.00 C ATOM 145 CD GLU A 10 14.313 -5.943 4.063 1.00 0.00 C ATOM 146 OE1 GLU A 10 13.414 -6.033 3.201 1.00 0.00 O ATOM 147 OE2 GLU A 10 14.094 -6.096 5.280 1.00 0.00 O ATOM 0 H GLU A 10 17.828 -8.201 1.144 1.00 0.00 H new ATOM 0 HA GLU A 10 18.228 -5.867 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.963 -6.526 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.833 -7.682 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.370 -5.532 4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.736 -4.689 3.077 1.00 0.00 H new ATOM 154 N ASP A 11 18.695 -8.955 3.530 1.00 0.00 N ATOM 155 CA ASP A 11 19.119 -9.932 4.522 1.00 0.00 C ATOM 156 C ASP A 11 20.430 -10.578 4.100 1.00 0.00 C ATOM 157 O ASP A 11 21.445 -10.450 4.789 1.00 0.00 O ATOM 158 CB ASP A 11 18.037 -10.997 4.704 1.00 0.00 C ATOM 159 CG ASP A 11 18.499 -12.158 5.558 1.00 0.00 C ATOM 160 OD1 ASP A 11 18.935 -11.925 6.700 1.00 0.00 O ATOM 161 OD2 ASP A 11 18.409 -13.316 5.093 1.00 0.00 O ATOM 0 H ASP A 11 18.799 -9.263 2.563 1.00 0.00 H new ATOM 0 HA ASP A 11 19.274 -9.423 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.158 -10.542 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.731 -11.369 3.726 1.00 0.00 H new ATOM 166 N ALA A 12 20.394 -11.257 2.955 1.00 0.00 N ATOM 167 CA ALA A 12 21.573 -11.892 2.379 1.00 0.00 C ATOM 168 C ALA A 12 22.156 -12.951 3.317 1.00 0.00 C ATOM 169 O ALA A 12 21.571 -14.017 3.503 1.00 0.00 O ATOM 170 CB ALA A 12 22.624 -10.845 2.027 1.00 0.00 C ATOM 0 H ALA A 12 19.546 -11.381 2.402 1.00 0.00 H new ATOM 0 HA ALA A 12 21.265 -12.398 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 12 23.498 -11.336 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 22.210 -10.143 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 12 22.917 -10.306 2.928 1.00 0.00 H new ATOM 176 N SER A 13 23.298 -12.641 3.908 1.00 0.00 N ATOM 177 CA SER A 13 24.007 -13.572 4.769 1.00 0.00 C ATOM 178 C SER A 13 25.073 -12.816 5.546 1.00 0.00 C ATOM 179 O SER A 13 25.441 -11.708 5.152 1.00 0.00 O ATOM 180 CB SER A 13 24.655 -14.672 3.921 1.00 0.00 C ATOM 181 OG SER A 13 25.593 -14.120 3.014 1.00 0.00 O ATOM 0 H SER A 13 23.759 -11.737 3.804 1.00 0.00 H new ATOM 0 HA SER A 13 23.308 -14.034 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.151 -15.393 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 13 23.886 -15.214 3.371 1.00 0.00 H new ATOM 0 HG SER A 13 25.317 -14.320 2.095 1.00 0.00 H new ATOM 187 N PRO A 14 25.575 -13.377 6.662 1.00 0.00 N ATOM 188 CA PRO A 14 26.659 -12.767 7.431 1.00 0.00 C ATOM 189 C PRO A 14 27.863 -12.399 6.556 1.00 0.00 C ATOM 190 O PRO A 14 28.424 -11.318 6.698 1.00 0.00 O ATOM 191 CB PRO A 14 27.042 -13.838 8.464 1.00 0.00 C ATOM 192 CG PRO A 14 26.290 -15.072 8.082 1.00 0.00 C ATOM 193 CD PRO A 14 25.102 -14.620 7.284 1.00 0.00 C ATOM 0 HA PRO A 14 26.344 -11.828 7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 14 28.117 -14.019 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.779 -13.518 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 14 26.918 -15.743 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 14 25.975 -15.623 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 14 24.812 -15.360 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.232 -14.448 7.918 1.00 0.00 H new ATOM 201 N GLU A 15 28.233 -13.289 5.635 1.00 0.00 N ATOM 202 CA GLU A 15 29.375 -13.050 4.750 1.00 0.00 C ATOM 203 C GLU A 15 29.102 -11.884 3.797 1.00 0.00 C ATOM 204 O GLU A 15 29.947 -11.008 3.615 1.00 0.00 O ATOM 205 CB GLU A 15 29.693 -14.311 3.941 1.00 0.00 C ATOM 206 CG GLU A 15 31.020 -14.961 4.312 1.00 0.00 C ATOM 207 CD GLU A 15 32.015 -14.960 3.169 1.00 0.00 C ATOM 208 OE1 GLU A 15 31.697 -15.507 2.093 1.00 0.00 O ATOM 209 OE2 GLU A 15 33.121 -14.401 3.332 1.00 0.00 O ATOM 0 H GLU A 15 27.761 -14.180 5.482 1.00 0.00 H new ATOM 0 HA GLU A 15 30.231 -12.794 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.891 -15.035 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.707 -14.057 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.451 -14.435 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.840 -15.988 4.630 1.00 0.00 H new ATOM 216 N GLU A 16 27.911 -11.877 3.215 1.00 0.00 N ATOM 217 CA GLU A 16 27.533 -10.877 2.224 1.00 0.00 C ATOM 218 C GLU A 16 27.279 -9.536 2.890 1.00 0.00 C ATOM 219 O GLU A 16 27.659 -8.488 2.365 1.00 0.00 O ATOM 220 CB GLU A 16 26.273 -11.319 1.478 1.00 0.00 C ATOM 221 CG GLU A 16 26.549 -12.038 0.169 1.00 0.00 C ATOM 222 CD GLU A 16 25.384 -12.904 -0.266 1.00 0.00 C ATOM 223 OE1 GLU A 16 25.099 -13.912 0.418 1.00 0.00 O ATOM 224 OE2 GLU A 16 24.737 -12.583 -1.286 1.00 0.00 O ATOM 0 H GLU A 16 27.181 -12.561 3.415 1.00 0.00 H new ATOM 0 HA GLU A 16 28.355 -10.774 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.692 -11.975 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.657 -10.443 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.764 -11.304 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.439 -12.658 0.278 1.00 0.00 H new ATOM 231 N LEU A 17 26.625 -9.573 4.044 1.00 0.00 N ATOM 232 CA LEU A 17 26.363 -8.362 4.802 1.00 0.00 C ATOM 233 C LEU A 17 27.672 -7.769 5.283 1.00 0.00 C ATOM 234 O LEU A 17 27.861 -6.564 5.232 1.00 0.00 O ATOM 235 CB LEU A 17 25.439 -8.640 5.990 1.00 0.00 C ATOM 236 CG LEU A 17 24.585 -7.452 6.433 1.00 0.00 C ATOM 237 CD1 LEU A 17 23.107 -7.756 6.238 1.00 0.00 C ATOM 238 CD2 LEU A 17 24.874 -7.101 7.885 1.00 0.00 C ATOM 0 H LEU A 17 26.268 -10.427 4.472 1.00 0.00 H new ATOM 0 HA LEU A 17 25.860 -7.649 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 17 24.778 -9.468 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 17 26.045 -8.968 6.834 1.00 0.00 H new ATOM 0 HG LEU A 17 24.842 -6.592 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 22.514 -6.899 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 17 22.913 -7.958 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.834 -8.629 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 24.258 -6.253 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 17 24.645 -7.958 8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 25.927 -6.840 7.994 1.00 0.00 H new ATOM 250 N ASN A 18 28.584 -8.632 5.726 1.00 0.00 N ATOM 251 CA ASN A 18 29.919 -8.198 6.131 1.00 0.00 C ATOM 252 C ASN A 18 30.647 -7.563 4.951 1.00 0.00 C ATOM 253 O ASN A 18 31.363 -6.572 5.109 1.00 0.00 O ATOM 254 CB ASN A 18 30.724 -9.385 6.694 1.00 0.00 C ATOM 255 CG ASN A 18 32.136 -9.486 6.134 1.00 0.00 C ATOM 256 OD1 ASN A 18 33.074 -8.895 6.667 1.00 0.00 O ATOM 257 ND2 ASN A 18 32.300 -10.243 5.058 1.00 0.00 N ATOM 0 H ASN A 18 28.423 -9.635 5.814 1.00 0.00 H new ATOM 0 HA ASN A 18 29.820 -7.451 6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.778 -9.294 7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.190 -10.310 6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.227 -10.350 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 18 31.499 -10.719 4.642 1.00 0.00 H new ATOM 264 N ARG A 19 30.449 -8.127 3.762 1.00 0.00 N ATOM 265 CA ARG A 19 31.119 -7.612 2.574 1.00 0.00 C ATOM 266 C ARG A 19 30.606 -6.225 2.221 1.00 0.00 C ATOM 267 O ARG A 19 31.387 -5.280 2.109 1.00 0.00 O ATOM 268 CB ARG A 19 30.946 -8.562 1.395 1.00 0.00 C ATOM 269 CG ARG A 19 31.963 -9.680 1.402 1.00 0.00 C ATOM 270 CD ARG A 19 32.395 -10.083 0.001 1.00 0.00 C ATOM 271 NE ARG A 19 31.961 -11.440 -0.337 1.00 0.00 N ATOM 272 CZ ARG A 19 32.206 -12.522 0.411 1.00 0.00 C ATOM 273 NH1 ARG A 19 32.989 -12.447 1.484 1.00 0.00 N ATOM 274 NH2 ARG A 19 31.704 -13.694 0.058 1.00 0.00 N ATOM 0 H ARG A 19 29.840 -8.928 3.598 1.00 0.00 H new ATOM 0 HA ARG A 19 32.183 -7.537 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 19 29.943 -8.987 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.033 -8.001 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.838 -9.368 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.542 -10.546 1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.982 -9.380 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.480 -10.020 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 19 31.436 -11.569 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.411 -11.556 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 19 33.167 -13.280 2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.132 -13.771 -0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.889 -14.520 0.627 1.00 0.00 H new ATOM 288 N TYR A 20 29.292 -6.098 2.076 1.00 0.00 N ATOM 289 CA TYR A 20 28.681 -4.814 1.754 1.00 0.00 C ATOM 290 C TYR A 20 28.913 -3.819 2.894 1.00 0.00 C ATOM 291 O TYR A 20 28.957 -2.606 2.685 1.00 0.00 O ATOM 292 CB TYR A 20 27.183 -5.008 1.461 1.00 0.00 C ATOM 293 CG TYR A 20 26.242 -4.248 2.376 1.00 0.00 C ATOM 294 CD1 TYR A 20 25.870 -4.765 3.610 1.00 0.00 C ATOM 295 CD2 TYR A 20 25.725 -3.014 2.000 1.00 0.00 C ATOM 296 CE1 TYR A 20 25.011 -4.074 4.444 1.00 0.00 C ATOM 297 CE2 TYR A 20 24.867 -2.316 2.830 1.00 0.00 C ATOM 298 CZ TYR A 20 24.513 -2.850 4.050 1.00 0.00 C ATOM 299 OH TYR A 20 23.660 -2.159 4.876 1.00 0.00 O ATOM 0 H TYR A 20 28.630 -6.868 2.176 1.00 0.00 H new ATOM 0 HA TYR A 20 29.146 -4.402 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 20 26.988 -4.704 0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 20 26.951 -6.071 1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 20 26.258 -5.723 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 20 25.998 -2.593 1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.731 -4.491 5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 20 24.476 -1.357 2.524 1.00 0.00 H new ATOM 0 HH TYR A 20 23.403 -1.315 4.449 1.00 0.00 H new ATOM 309 N TYR A 21 29.074 -4.359 4.093 1.00 0.00 N ATOM 310 CA TYR A 21 29.341 -3.570 5.284 1.00 0.00 C ATOM 311 C TYR A 21 30.640 -2.791 5.150 1.00 0.00 C ATOM 312 O TYR A 21 30.655 -1.562 5.210 1.00 0.00 O ATOM 313 CB TYR A 21 29.446 -4.499 6.490 1.00 0.00 C ATOM 314 CG TYR A 21 28.853 -3.942 7.748 1.00 0.00 C ATOM 315 CD1 TYR A 21 27.496 -4.039 7.997 1.00 0.00 C ATOM 316 CD2 TYR A 21 29.655 -3.327 8.687 1.00 0.00 C ATOM 317 CE1 TYR A 21 26.951 -3.535 9.156 1.00 0.00 C ATOM 318 CE2 TYR A 21 29.125 -2.821 9.849 1.00 0.00 C ATOM 319 CZ TYR A 21 27.768 -2.924 10.081 1.00 0.00 C ATOM 320 OH TYR A 21 27.232 -2.414 11.239 1.00 0.00 O ATOM 0 H TYR A 21 29.023 -5.363 4.267 1.00 0.00 H new ATOM 0 HA TYR A 21 28.522 -2.862 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 21 28.950 -5.440 6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 21 30.497 -4.728 6.667 1.00 0.00 H new ATOM 0 HD1 TYR A 21 26.855 -4.517 7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 21 30.716 -3.242 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 21 25.890 -3.618 9.339 1.00 0.00 H new ATOM 0 HE2 TYR A 21 29.766 -2.346 10.577 1.00 0.00 H new ATOM 0 HH TYR A 21 27.945 -2.018 11.783 1.00 0.00 H new ATOM 330 N ALA A 22 31.728 -3.522 4.963 1.00 0.00 N ATOM 331 CA ALA A 22 33.049 -2.929 4.961 1.00 0.00 C ATOM 332 C ALA A 22 33.330 -2.181 3.661 1.00 0.00 C ATOM 333 O ALA A 22 34.123 -1.239 3.647 1.00 0.00 O ATOM 334 CB ALA A 22 34.094 -3.996 5.228 1.00 0.00 C ATOM 0 H ALA A 22 31.718 -4.530 4.810 1.00 0.00 H new ATOM 0 HA ALA A 22 33.096 -2.190 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 22 35.085 -3.543 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.907 -4.454 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.041 -4.759 4.451 1.00 0.00 H new ATOM 340 N SER A 23 32.675 -2.579 2.574 1.00 0.00 N ATOM 341 CA SER A 23 32.823 -1.859 1.314 1.00 0.00 C ATOM 342 C SER A 23 32.182 -0.482 1.433 1.00 0.00 C ATOM 343 O SER A 23 32.776 0.517 1.042 1.00 0.00 O ATOM 344 CB SER A 23 32.203 -2.639 0.153 1.00 0.00 C ATOM 345 OG SER A 23 30.972 -3.221 0.529 1.00 0.00 O ATOM 0 H SER A 23 32.047 -3.382 2.539 1.00 0.00 H new ATOM 0 HA SER A 23 33.886 -1.745 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 32.049 -1.972 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 23 32.892 -3.418 -0.174 1.00 0.00 H new ATOM 0 HG SER A 23 31.134 -4.103 0.923 1.00 0.00 H new ATOM 351 N LEU A 24 30.982 -0.442 2.005 1.00 0.00 N ATOM 352 CA LEU A 24 30.281 0.804 2.259 1.00 0.00 C ATOM 353 C LEU A 24 31.053 1.625 3.278 1.00 0.00 C ATOM 354 O LEU A 24 31.137 2.840 3.160 1.00 0.00 O ATOM 355 CB LEU A 24 28.866 0.515 2.773 1.00 0.00 C ATOM 356 CG LEU A 24 28.238 1.613 3.639 1.00 0.00 C ATOM 357 CD1 LEU A 24 27.171 2.365 2.864 1.00 0.00 C ATOM 358 CD2 LEU A 24 27.655 1.018 4.912 1.00 0.00 C ATOM 0 H LEU A 24 30.472 -1.274 2.304 1.00 0.00 H new ATOM 0 HA LEU A 24 30.205 1.370 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 24 28.217 0.338 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 24 28.890 -0.409 3.351 1.00 0.00 H new ATOM 0 HG LEU A 24 29.020 2.320 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.739 3.139 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 24 27.618 2.825 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 24 26.389 1.671 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 27.213 1.811 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.888 0.288 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 24 28.446 0.528 5.480 1.00 0.00 H new ATOM 370 N ARG A 25 31.616 0.945 4.271 1.00 0.00 N ATOM 371 CA ARG A 25 32.426 1.594 5.293 1.00 0.00 C ATOM 372 C ARG A 25 33.528 2.433 4.655 1.00 0.00 C ATOM 373 O ARG A 25 33.655 3.629 4.930 1.00 0.00 O ATOM 374 CB ARG A 25 33.044 0.546 6.226 1.00 0.00 C ATOM 375 CG ARG A 25 32.737 0.773 7.698 1.00 0.00 C ATOM 376 CD ARG A 25 31.310 0.379 8.038 1.00 0.00 C ATOM 377 NE ARG A 25 30.498 1.543 8.393 1.00 0.00 N ATOM 378 CZ ARG A 25 29.539 1.534 9.315 1.00 0.00 C ATOM 379 NH1 ARG A 25 29.272 0.428 9.993 1.00 0.00 N ATOM 380 NH2 ARG A 25 28.850 2.642 9.566 1.00 0.00 N ATOM 0 H ARG A 25 31.524 -0.064 4.389 1.00 0.00 H new ATOM 0 HA ARG A 25 31.779 2.251 5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 25 32.682 -0.441 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 25 34.125 0.543 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 25 33.430 0.194 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 25 32.894 1.823 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 25 30.861 -0.132 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 25 31.315 -0.328 8.868 1.00 0.00 H new ATOM 0 HE ARG A 25 30.679 2.418 7.902 1.00 0.00 H new ATOM 0 HH11 ARG A 25 29.803 -0.423 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 25 28.535 0.428 10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 29.057 3.498 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 25 28.115 2.636 10.273 1.00 0.00 H new ATOM 394 N HIS A 26 34.299 1.808 3.772 1.00 0.00 N ATOM 395 CA HIS A 26 35.424 2.477 3.136 1.00 0.00 C ATOM 396 C HIS A 26 34.962 3.393 2.010 1.00 0.00 C ATOM 397 O HIS A 26 35.467 4.500 1.865 1.00 0.00 O ATOM 398 CB HIS A 26 36.420 1.455 2.594 1.00 0.00 C ATOM 399 CG HIS A 26 37.848 1.817 2.871 1.00 0.00 C ATOM 400 ND1 HIS A 26 38.233 3.017 3.436 1.00 0.00 N ATOM 401 CD2 HIS A 26 38.993 1.124 2.658 1.00 0.00 C ATOM 402 CE1 HIS A 26 39.546 3.046 3.555 1.00 0.00 C ATOM 403 NE2 HIS A 26 40.029 1.911 3.092 1.00 0.00 N ATOM 0 H HIS A 26 34.164 0.840 3.482 1.00 0.00 H new ATOM 0 HA HIS A 26 35.914 3.087 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 26 36.207 0.481 3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 26 36.279 1.356 1.518 1.00 0.00 H new ATOM 0 HD1 HIS A 26 37.600 3.765 3.718 1.00 0.00 H new ATOM 0 HD2 HIS A 26 39.074 0.137 2.227 1.00 0.00 H new ATOM 0 HE1 HIS A 26 40.126 3.861 3.962 1.00 0.00 H new ATOM 412 N TYR A 27 34.006 2.931 1.214 1.00 0.00 N ATOM 413 CA TYR A 27 33.493 3.723 0.102 1.00 0.00 C ATOM 414 C TYR A 27 32.861 5.006 0.619 1.00 0.00 C ATOM 415 O TYR A 27 33.017 6.070 0.025 1.00 0.00 O ATOM 416 CB TYR A 27 32.480 2.914 -0.717 1.00 0.00 C ATOM 417 CG TYR A 27 31.704 3.725 -1.731 1.00 0.00 C ATOM 418 CD1 TYR A 27 32.346 4.569 -2.629 1.00 0.00 C ATOM 419 CD2 TYR A 27 30.319 3.641 -1.793 1.00 0.00 C ATOM 420 CE1 TYR A 27 31.630 5.306 -3.555 1.00 0.00 C ATOM 421 CE2 TYR A 27 29.599 4.371 -2.717 1.00 0.00 C ATOM 422 CZ TYR A 27 30.257 5.202 -3.595 1.00 0.00 C ATOM 423 OH TYR A 27 29.538 5.934 -4.515 1.00 0.00 O ATOM 0 H TYR A 27 33.571 2.014 1.317 1.00 0.00 H new ATOM 0 HA TYR A 27 34.326 3.984 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 27 33.008 2.114 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 27 31.776 2.439 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 27 33.423 4.651 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.796 2.993 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 27 32.145 5.960 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.523 4.290 -2.751 1.00 0.00 H new ATOM 0 HH TYR A 27 28.582 5.744 -4.410 1.00 0.00 H new ATOM 433 N LEU A 28 32.148 4.907 1.728 1.00 0.00 N ATOM 434 CA LEU A 28 31.596 6.097 2.359 1.00 0.00 C ATOM 435 C LEU A 28 32.714 7.003 2.865 1.00 0.00 C ATOM 436 O LEU A 28 32.822 8.153 2.455 1.00 0.00 O ATOM 437 CB LEU A 28 30.671 5.723 3.520 1.00 0.00 C ATOM 438 CG LEU A 28 29.174 5.837 3.230 1.00 0.00 C ATOM 439 CD1 LEU A 28 28.828 5.152 1.918 1.00 0.00 C ATOM 440 CD2 LEU A 28 28.370 5.254 4.384 1.00 0.00 C ATOM 0 H LEU A 28 31.939 4.030 2.205 1.00 0.00 H new ATOM 0 HA LEU A 28 31.015 6.632 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 30.889 4.698 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 28 30.908 6.361 4.371 1.00 0.00 H new ATOM 0 HG LEU A 28 28.915 6.891 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 27.758 5.245 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 28 29.381 5.622 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 28 29.096 4.097 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 28 27.306 5.341 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 28 28.629 4.203 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 28 28.599 5.800 5.299 1.00 0.00 H new ATOM 452 N ASN A 29 33.573 6.466 3.720 1.00 0.00 N ATOM 453 CA ASN A 29 34.580 7.275 4.406 1.00 0.00 C ATOM 454 C ASN A 29 35.708 7.733 3.473 1.00 0.00 C ATOM 455 O ASN A 29 36.533 8.565 3.855 1.00 0.00 O ATOM 456 CB ASN A 29 35.144 6.493 5.606 1.00 0.00 C ATOM 457 CG ASN A 29 36.533 5.920 5.372 1.00 0.00 C ATOM 458 OD1 ASN A 29 36.719 4.988 4.585 1.00 0.00 O ATOM 459 ND2 ASN A 29 37.515 6.469 6.065 1.00 0.00 N ATOM 0 H ASN A 29 33.596 5.474 3.958 1.00 0.00 H new ATOM 0 HA ASN A 29 34.089 8.181 4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 29 35.175 7.152 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 29 34.462 5.678 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 29 38.469 6.124 5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 29 37.319 7.238 6.706 1.00 0.00 H new ATOM 466 N LEU A 30 35.727 7.214 2.251 1.00 0.00 N ATOM 467 CA LEU A 30 36.810 7.498 1.309 1.00 0.00 C ATOM 468 C LEU A 30 36.943 8.990 1.005 1.00 0.00 C ATOM 469 O LEU A 30 38.040 9.545 1.060 1.00 0.00 O ATOM 470 CB LEU A 30 36.629 6.674 0.020 1.00 0.00 C ATOM 471 CG LEU A 30 36.472 7.471 -1.280 1.00 0.00 C ATOM 472 CD1 LEU A 30 37.410 6.941 -2.351 1.00 0.00 C ATOM 473 CD2 LEU A 30 35.028 7.426 -1.763 1.00 0.00 C ATOM 0 H LEU A 30 35.005 6.593 1.886 1.00 0.00 H new ATOM 0 HA LEU A 30 37.744 7.198 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 30 37.489 6.012 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 30 35.751 6.039 0.140 1.00 0.00 H new ATOM 0 HG LEU A 30 36.736 8.509 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 37.283 7.520 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 38.441 7.028 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 30 37.181 5.894 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 30 34.935 7.997 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 30 34.737 6.391 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 30 34.377 7.857 -1.003 1.00 0.00 H new ATOM 485 N VAL A 31 35.839 9.641 0.695 1.00 0.00 N ATOM 486 CA VAL A 31 35.862 11.071 0.439 1.00 0.00 C ATOM 487 C VAL A 31 35.165 11.790 1.576 1.00 0.00 C ATOM 488 O VAL A 31 34.525 12.819 1.374 1.00 0.00 O ATOM 489 CB VAL A 31 35.175 11.431 -0.902 1.00 0.00 C ATOM 490 CG1 VAL A 31 36.071 11.074 -2.079 1.00 0.00 C ATOM 491 CG2 VAL A 31 33.823 10.735 -1.026 1.00 0.00 C ATOM 0 H VAL A 31 34.919 9.207 0.614 1.00 0.00 H new ATOM 0 HA VAL A 31 36.903 11.385 0.370 1.00 0.00 H new ATOM 0 HB VAL A 31 35.005 12.508 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 31 35.569 11.335 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 37.008 11.627 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 36.279 10.004 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 31 33.361 11.004 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 33.965 9.655 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 31 33.176 11.048 -0.206 1.00 0.00 H new ATOM 501 N THR A 32 35.291 11.212 2.779 1.00 0.00 N ATOM 502 CA THR A 32 34.509 11.620 3.950 1.00 0.00 C ATOM 503 C THR A 32 33.022 11.614 3.610 1.00 0.00 C ATOM 504 O THR A 32 32.214 12.247 4.287 1.00 0.00 O ATOM 505 CB THR A 32 34.930 13.008 4.508 1.00 0.00 C ATOM 506 OG1 THR A 32 34.554 14.065 3.618 1.00 0.00 O ATOM 507 CG2 THR A 32 36.430 13.059 4.744 1.00 0.00 C ATOM 0 H THR A 32 35.940 10.447 2.966 1.00 0.00 H new ATOM 0 HA THR A 32 34.712 10.894 4.737 1.00 0.00 H new ATOM 0 HB THR A 32 34.409 13.147 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 32 34.289 13.686 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 32 36.704 14.039 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 32 36.711 12.290 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 32 36.952 12.884 3.803 1.00 0.00 H new ATOM 515 N ARG A 33 32.685 10.838 2.573 1.00 0.00 N ATOM 516 CA ARG A 33 31.353 10.849 1.965 1.00 0.00 C ATOM 517 C ARG A 33 30.828 12.278 1.805 1.00 0.00 C ATOM 518 O ARG A 33 29.747 12.592 2.295 1.00 0.00 O ATOM 519 CB ARG A 33 30.373 10.001 2.783 1.00 0.00 C ATOM 520 CG ARG A 33 29.241 9.408 1.957 1.00 0.00 C ATOM 521 CD ARG A 33 27.897 10.010 2.331 1.00 0.00 C ATOM 522 NE ARG A 33 26.997 10.101 1.179 1.00 0.00 N ATOM 523 CZ ARG A 33 26.841 11.198 0.435 1.00 0.00 C ATOM 524 NH1 ARG A 33 27.531 12.298 0.705 1.00 0.00 N ATOM 525 NH2 ARG A 33 25.994 11.186 -0.587 1.00 0.00 N ATOM 0 H ARG A 33 33.331 10.184 2.132 1.00 0.00 H new ATOM 0 HA ARG A 33 31.439 10.410 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 33 30.921 9.192 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 33 29.949 10.616 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 33 29.435 9.580 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 33 29.210 8.328 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 33 27.431 9.403 3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 33 28.049 11.004 2.751 1.00 0.00 H new ATOM 0 HE ARG A 33 26.455 9.274 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.187 12.310 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.406 13.132 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.465 10.340 -0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.872 12.022 -1.158 1.00 0.00 H new ATOM 539 N GLN A 34 31.633 13.110 1.115 1.00 0.00 N ATOM 540 CA GLN A 34 31.344 14.533 0.825 1.00 0.00 C ATOM 541 C GLN A 34 29.915 14.951 1.151 1.00 0.00 C ATOM 542 O GLN A 34 28.989 14.710 0.369 1.00 0.00 O ATOM 543 CB GLN A 34 31.630 14.824 -0.647 1.00 0.00 C ATOM 544 CG GLN A 34 32.275 16.178 -0.885 1.00 0.00 C ATOM 545 CD GLN A 34 33.346 16.125 -1.957 1.00 0.00 C ATOM 546 OE1 GLN A 34 34.436 15.602 -1.729 1.00 0.00 O ATOM 547 NE2 GLN A 34 33.048 16.669 -3.126 1.00 0.00 N ATOM 0 H GLN A 34 32.528 12.804 0.732 1.00 0.00 H new ATOM 0 HA GLN A 34 31.996 15.116 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 34 32.282 14.046 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 30.696 14.772 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 34 31.509 16.897 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 34 32.713 16.538 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 34 32.132 17.092 -3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 34 33.735 16.665 -3.880 1.00 0.00 H new ATOM 556 N ARG A 35 29.744 15.588 2.298 1.00 0.00 N ATOM 557 CA ARG A 35 28.421 15.957 2.774 1.00 0.00 C ATOM 558 C ARG A 35 28.402 17.388 3.307 1.00 0.00 C ATOM 559 O ARG A 35 29.429 18.068 3.333 1.00 0.00 O ATOM 560 CB ARG A 35 27.961 14.974 3.855 1.00 0.00 C ATOM 561 CG ARG A 35 29.059 14.557 4.821 1.00 0.00 C ATOM 562 CD ARG A 35 28.507 14.308 6.211 1.00 0.00 C ATOM 563 NE ARG A 35 29.186 15.132 7.209 1.00 0.00 N ATOM 564 CZ ARG A 35 28.683 16.258 7.713 1.00 0.00 C ATOM 565 NH1 ARG A 35 27.469 16.667 7.362 1.00 0.00 N ATOM 566 NH2 ARG A 35 29.383 16.966 8.592 1.00 0.00 N ATOM 0 H ARG A 35 30.507 15.861 2.918 1.00 0.00 H new ATOM 0 HA ARG A 35 27.730 15.909 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 35 27.147 15.427 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.558 14.083 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 35 29.545 13.653 4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 35 29.822 15.334 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 35 27.439 14.524 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 35 28.622 13.255 6.467 1.00 0.00 H new ATOM 0 HE ARG A 35 30.101 14.826 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 35 26.917 16.118 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 35 27.089 17.530 7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 35 30.308 16.648 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 35 28.996 17.828 8.977 1.00 0.00 H new ATOM 580 N TYR A 36 27.220 17.838 3.719 1.00 0.00 N ATOM 581 CA TYR A 36 27.030 19.192 4.236 1.00 0.00 C ATOM 582 C TYR A 36 27.581 19.328 5.654 1.00 0.00 C ATOM 583 O TYR A 36 26.775 19.375 6.611 1.00 0.00 O ATOM 584 CB TYR A 36 25.541 19.548 4.233 1.00 0.00 C ATOM 585 CG TYR A 36 25.050 20.158 2.938 1.00 0.00 C ATOM 586 CD1 TYR A 36 25.358 21.472 2.607 1.00 0.00 C ATOM 587 CD2 TYR A 36 24.272 19.422 2.055 1.00 0.00 C ATOM 588 CE1 TYR A 36 24.900 22.034 1.430 1.00 0.00 C ATOM 589 CE2 TYR A 36 23.813 19.977 0.875 1.00 0.00 C ATOM 590 CZ TYR A 36 24.132 21.282 0.567 1.00 0.00 C ATOM 591 OH TYR A 36 23.673 21.836 -0.607 1.00 0.00 O ATOM 0 H TYR A 36 26.368 17.277 3.704 1.00 0.00 H new ATOM 0 HA TYR A 36 27.576 19.877 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 36 24.963 18.647 4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 36 25.344 20.245 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 36 25.964 22.062 3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 36 24.021 18.399 2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 36 25.143 23.058 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 36 23.208 19.391 0.199 1.00 0.00 H new ATOM 0 HH TYR A 36 23.148 21.171 -1.099 1.00 0.00 H new HETATM 601 N NH2 A 37 28.893 19.393 5.811 1.00 0.00 N TER 604 NH2 A 37