USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 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 Single : A 1 TYR N :NH3+ -124:sc= -0.152 (180deg=-1.97!) 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 180:sc= -0.0261 USER MOD Single : A 18 SER OG : rot 180:sc= 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 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.8) USER MOD Single : A 32 THR OG1 : rot -1:sc= 0.486 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -13.721 24.976 -0.963 1.00 0.00 N ATOM 2 CA TYR A 1 -14.162 24.199 -2.138 1.00 0.00 C ATOM 3 C TYR A 1 -12.999 23.876 -3.109 1.00 0.00 C ATOM 4 O TYR A 1 -13.084 24.205 -4.276 1.00 0.00 O ATOM 5 CB TYR A 1 -15.313 24.965 -2.826 1.00 0.00 C ATOM 6 CG TYR A 1 -15.124 26.480 -2.888 1.00 0.00 C ATOM 7 CD1 TYR A 1 -13.870 27.056 -3.210 1.00 0.00 C ATOM 8 CD2 TYR A 1 -16.201 27.320 -2.547 1.00 0.00 C ATOM 9 CE1 TYR A 1 -13.685 28.446 -3.121 1.00 0.00 C ATOM 10 CE2 TYR A 1 -16.024 28.715 -2.491 1.00 0.00 C ATOM 11 CZ TYR A 1 -14.758 29.280 -2.757 1.00 0.00 C ATOM 12 OH TYR A 1 -14.556 30.617 -2.652 1.00 0.00 O ATOM 0 H1 TYR A 1 -13.987 24.471 -0.093 1.00 0.00 H new ATOM 0 H2 TYR A 1 -12.688 25.094 -0.993 1.00 0.00 H new ATOM 0 H3 TYR A 1 -14.177 25.911 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 1 -14.526 23.226 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -15.428 24.585 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -16.242 24.750 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -13.053 26.424 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -17.168 26.892 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -12.717 28.875 -3.333 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -16.858 29.355 -2.244 1.00 0.00 H new ATOM 0 HH TYR A 1 -15.394 31.055 -2.394 1.00 0.00 H new ATOM 24 N PRO A 2 -11.896 23.253 -2.644 1.00 0.00 N ATOM 25 CA PRO A 2 -10.781 22.942 -3.529 1.00 0.00 C ATOM 26 C PRO A 2 -11.155 21.836 -4.521 1.00 0.00 C ATOM 27 O PRO A 2 -11.960 20.957 -4.217 1.00 0.00 O ATOM 28 CB PRO A 2 -9.625 22.523 -2.626 1.00 0.00 C ATOM 29 CG PRO A 2 -10.285 22.059 -1.321 1.00 0.00 C ATOM 30 CD PRO A 2 -11.699 22.642 -1.334 1.00 0.00 C ATOM 0 HA PRO A 2 -10.504 23.804 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.041 21.722 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.942 23.354 -2.449 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.312 20.971 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.726 22.411 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.439 21.862 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.819 23.381 -0.542 1.00 0.00 H new ATOM 38 N ALA A 3 -10.524 21.863 -5.703 1.00 0.00 N ATOM 39 CA ALA A 3 -10.759 20.919 -6.791 1.00 0.00 C ATOM 40 C ALA A 3 -9.413 20.450 -7.370 1.00 0.00 C ATOM 41 O ALA A 3 -8.947 20.959 -8.382 1.00 0.00 O ATOM 42 CB ALA A 3 -11.681 21.564 -7.842 1.00 0.00 C ATOM 0 H ALA A 3 -9.818 22.563 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.270 20.029 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.856 20.859 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.632 21.828 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.209 22.463 -8.238 1.00 0.00 H new ATOM 48 N LYS A 4 -8.754 19.517 -6.668 1.00 0.00 N ATOM 49 CA LYS A 4 -7.448 18.965 -7.050 1.00 0.00 C ATOM 50 C LYS A 4 -7.463 17.434 -6.947 1.00 0.00 C ATOM 51 O LYS A 4 -8.234 16.907 -6.135 1.00 0.00 O ATOM 52 CB LYS A 4 -6.341 19.585 -6.177 1.00 0.00 C ATOM 53 CG LYS A 4 -6.091 21.068 -6.526 1.00 0.00 C ATOM 54 CD LYS A 4 -6.271 22.028 -5.334 1.00 0.00 C ATOM 55 CE LYS A 4 -4.909 22.537 -4.855 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.424 23.641 -5.722 1.00 0.00 N ATOM 0 H LYS A 4 -9.121 19.118 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.238 19.220 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.619 19.502 -5.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.417 19.021 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.079 21.174 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.772 21.363 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.899 22.869 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.783 21.516 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.987 22.885 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.188 21.720 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.499 23.971 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.329 23.299 -6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.104 24.428 -5.695 1.00 0.00 H new ATOM 70 N PRO A 5 -6.621 16.731 -7.724 1.00 0.00 N ATOM 71 CA PRO A 5 -6.533 15.277 -7.676 1.00 0.00 C ATOM 72 C PRO A 5 -5.912 14.795 -6.355 1.00 0.00 C ATOM 73 O PRO A 5 -5.443 15.590 -5.548 1.00 0.00 O ATOM 74 CB PRO A 5 -5.714 14.872 -8.906 1.00 0.00 C ATOM 75 CG PRO A 5 -4.925 16.117 -9.316 1.00 0.00 C ATOM 76 CD PRO A 5 -5.625 17.290 -8.629 1.00 0.00 C ATOM 0 HA PRO A 5 -7.516 14.807 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.044 14.044 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.364 14.538 -9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.884 16.043 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.923 16.241 -10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.906 17.899 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.097 17.940 -9.365 1.00 0.00 H new ATOM 84 N GLU A 6 -5.904 13.472 -6.154 1.00 0.00 N ATOM 85 CA GLU A 6 -5.297 12.823 -4.994 1.00 0.00 C ATOM 86 C GLU A 6 -3.864 13.319 -4.724 1.00 0.00 C ATOM 87 O GLU A 6 -2.943 13.095 -5.506 1.00 0.00 O ATOM 88 CB GLU A 6 -5.380 11.296 -5.139 1.00 0.00 C ATOM 89 CG GLU A 6 -4.553 10.731 -6.312 1.00 0.00 C ATOM 90 CD GLU A 6 -5.347 9.695 -7.101 1.00 0.00 C ATOM 91 OE1 GLU A 6 -5.319 8.513 -6.687 1.00 0.00 O ATOM 92 OE2 GLU A 6 -5.986 10.114 -8.093 1.00 0.00 O ATOM 0 H GLU A 6 -6.328 12.813 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.869 13.106 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.039 10.834 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.423 11.010 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.254 11.544 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.638 10.278 -5.930 1.00 0.00 H new ATOM 99 N ALA A 7 -3.679 14.035 -3.618 1.00 0.00 N ATOM 100 CA ALA A 7 -2.380 14.562 -3.223 1.00 0.00 C ATOM 101 C ALA A 7 -1.696 13.622 -2.214 1.00 0.00 C ATOM 102 O ALA A 7 -2.384 12.948 -1.436 1.00 0.00 O ATOM 103 CB ALA A 7 -2.560 15.988 -2.687 1.00 0.00 C ATOM 0 H ALA A 7 -4.431 14.266 -2.969 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.716 14.612 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.592 16.390 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.990 16.618 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.227 15.971 -1.825 1.00 0.00 H new ATOM 109 N PRO A 8 -0.349 13.573 -2.203 1.00 0.00 N ATOM 110 CA PRO A 8 0.398 12.796 -1.224 1.00 0.00 C ATOM 111 C PRO A 8 0.317 13.428 0.174 1.00 0.00 C ATOM 112 O PRO A 8 -0.051 14.596 0.340 1.00 0.00 O ATOM 113 CB PRO A 8 1.831 12.730 -1.754 1.00 0.00 C ATOM 114 CG PRO A 8 1.971 13.919 -2.708 1.00 0.00 C ATOM 115 CD PRO A 8 0.544 14.334 -3.060 1.00 0.00 C ATOM 0 HA PRO A 8 -0.014 11.794 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.553 12.793 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.015 11.788 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.512 14.739 -2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.530 13.641 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.406 15.404 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.333 14.133 -4.110 1.00 0.00 H new ATOM 123 N GLY A 9 0.698 12.646 1.184 1.00 0.00 N ATOM 124 CA GLY A 9 0.745 13.072 2.580 1.00 0.00 C ATOM 125 C GLY A 9 2.180 13.297 3.053 1.00 0.00 C ATOM 126 O GLY A 9 3.108 12.705 2.513 1.00 0.00 O ATOM 0 H GLY A 9 0.989 11.678 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.174 13.993 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.269 12.318 3.207 1.00 0.00 H new ATOM 130 N GLU A 10 2.351 14.139 4.081 1.00 0.00 N ATOM 131 CA GLU A 10 3.666 14.488 4.632 1.00 0.00 C ATOM 132 C GLU A 10 3.530 15.151 6.028 1.00 0.00 C ATOM 133 O GLU A 10 3.635 16.366 6.139 1.00 0.00 O ATOM 134 CB GLU A 10 4.426 15.382 3.621 1.00 0.00 C ATOM 135 CG GLU A 10 5.933 15.106 3.638 1.00 0.00 C ATOM 136 CD GLU A 10 6.650 15.821 2.485 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.676 17.076 2.515 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.186 15.113 1.598 1.00 0.00 O ATOM 0 H GLU A 10 1.575 14.600 4.556 1.00 0.00 H new ATOM 0 HA GLU A 10 4.250 13.580 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.036 15.209 2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.246 16.431 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.353 15.435 4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.108 14.033 3.566 1.00 0.00 H new ATOM 145 N ASP A 11 3.268 14.364 7.085 1.00 0.00 N ATOM 146 CA ASP A 11 3.003 14.840 8.470 1.00 0.00 C ATOM 147 C ASP A 11 1.964 15.978 8.552 1.00 0.00 C ATOM 148 O ASP A 11 2.303 17.159 8.652 1.00 0.00 O ATOM 149 CB ASP A 11 4.308 15.215 9.212 1.00 0.00 C ATOM 150 CG ASP A 11 4.043 15.610 10.683 1.00 0.00 C ATOM 151 OD1 ASP A 11 3.213 14.916 11.307 1.00 0.00 O ATOM 152 OD2 ASP A 11 4.655 16.569 11.226 1.00 0.00 O ATOM 0 H ASP A 11 3.232 13.348 7.006 1.00 0.00 H new ATOM 0 HA ASP A 11 2.554 13.989 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.998 14.372 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.794 16.043 8.696 1.00 0.00 H new ATOM 157 N ALA A 12 0.675 15.621 8.548 1.00 0.00 N ATOM 158 CA ALA A 12 -0.416 16.584 8.664 1.00 0.00 C ATOM 159 C ALA A 12 -1.596 15.976 9.431 1.00 0.00 C ATOM 160 O ALA A 12 -1.885 14.783 9.287 1.00 0.00 O ATOM 161 CB ALA A 12 -0.817 17.036 7.257 1.00 0.00 C ATOM 0 H ALA A 12 0.363 14.654 8.464 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.091 17.455 9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.632 17.757 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.038 17.501 6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.143 16.173 6.677 1.00 0.00 H new ATOM 167 N SER A 13 -2.275 16.806 10.239 1.00 0.00 N ATOM 168 CA SER A 13 -3.440 16.400 11.032 1.00 0.00 C ATOM 169 C SER A 13 -4.567 15.848 10.128 1.00 0.00 C ATOM 170 O SER A 13 -4.733 16.322 9.006 1.00 0.00 O ATOM 171 CB SER A 13 -3.949 17.594 11.856 1.00 0.00 C ATOM 172 OG SER A 13 -4.350 17.175 13.140 1.00 0.00 O ATOM 0 H SER A 13 -2.026 17.788 10.359 1.00 0.00 H new ATOM 0 HA SER A 13 -3.136 15.601 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.164 18.345 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.787 18.066 11.343 1.00 0.00 H new ATOM 0 HG SER A 13 -4.669 17.948 13.651 1.00 0.00 H new ATOM 178 N PRO A 14 -5.363 14.863 10.588 1.00 0.00 N ATOM 179 CA PRO A 14 -6.433 14.283 9.791 1.00 0.00 C ATOM 180 C PRO A 14 -7.625 15.242 9.649 1.00 0.00 C ATOM 181 O PRO A 14 -8.290 15.574 10.632 1.00 0.00 O ATOM 182 CB PRO A 14 -6.817 12.976 10.485 1.00 0.00 C ATOM 183 CG PRO A 14 -6.350 13.138 11.932 1.00 0.00 C ATOM 184 CD PRO A 14 -5.303 14.250 11.907 1.00 0.00 C ATOM 0 HA PRO A 14 -6.105 14.094 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.892 12.805 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.336 12.121 10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.183 13.399 12.585 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.925 12.209 12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.505 14.987 12.684 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.309 13.848 12.100 1.00 0.00 H new ATOM 192 N GLU A 15 -7.933 15.625 8.415 1.00 0.00 N ATOM 193 CA GLU A 15 -9.015 16.532 8.026 1.00 0.00 C ATOM 194 C GLU A 15 -9.825 15.885 6.906 1.00 0.00 C ATOM 195 O GLU A 15 -9.687 16.218 5.727 1.00 0.00 O ATOM 196 CB GLU A 15 -8.454 17.905 7.612 1.00 0.00 C ATOM 197 CG GLU A 15 -8.043 18.774 8.820 1.00 0.00 C ATOM 198 CD GLU A 15 -8.573 20.215 8.736 1.00 0.00 C ATOM 199 OE1 GLU A 15 -9.772 20.376 8.415 1.00 0.00 O ATOM 200 OE2 GLU A 15 -7.793 21.148 9.051 1.00 0.00 O ATOM 0 H GLU A 15 -7.404 15.293 7.609 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.675 16.707 8.876 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.589 17.759 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.204 18.437 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.412 18.311 9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.955 18.797 8.890 1.00 0.00 H new ATOM 207 N GLU A 16 -10.598 14.857 7.266 1.00 0.00 N ATOM 208 CA GLU A 16 -11.437 14.064 6.352 1.00 0.00 C ATOM 209 C GLU A 16 -10.616 13.219 5.342 1.00 0.00 C ATOM 210 O GLU A 16 -11.177 12.372 4.656 1.00 0.00 O ATOM 211 CB GLU A 16 -12.507 14.972 5.693 1.00 0.00 C ATOM 212 CG GLU A 16 -13.779 14.238 5.214 1.00 0.00 C ATOM 213 CD GLU A 16 -14.972 15.182 4.930 1.00 0.00 C ATOM 214 OE1 GLU A 16 -14.731 16.349 4.534 1.00 0.00 O ATOM 215 OE2 GLU A 16 -16.131 14.714 5.094 1.00 0.00 O ATOM 0 H GLU A 16 -10.662 14.540 8.233 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.966 13.314 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.797 15.743 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.056 15.480 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.546 13.679 4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.075 13.511 5.970 1.00 0.00 H new ATOM 222 N LEU A 17 -9.279 13.340 5.314 1.00 0.00 N ATOM 223 CA LEU A 17 -8.383 12.538 4.497 1.00 0.00 C ATOM 224 C LEU A 17 -8.507 11.058 4.867 1.00 0.00 C ATOM 225 O LEU A 17 -8.877 10.232 4.036 1.00 0.00 O ATOM 226 CB LEU A 17 -6.949 13.106 4.621 1.00 0.00 C ATOM 227 CG LEU A 17 -5.813 12.070 4.529 1.00 0.00 C ATOM 228 CD1 LEU A 17 -5.918 11.112 3.321 1.00 0.00 C ATOM 229 CD2 LEU A 17 -4.443 12.748 4.553 1.00 0.00 C ATOM 0 H LEU A 17 -8.784 14.026 5.884 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.656 12.595 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.803 13.850 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.865 13.627 5.575 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.927 11.447 5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.079 10.417 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.852 10.554 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.897 11.689 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.661 11.991 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.360 13.431 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.330 13.306 5.482 1.00 0.00 H new ATOM 241 N SER A 18 -8.215 10.716 6.129 1.00 0.00 N ATOM 242 CA SER A 18 -8.292 9.328 6.582 1.00 0.00 C ATOM 243 C SER A 18 -9.720 8.794 6.459 1.00 0.00 C ATOM 244 O SER A 18 -9.901 7.595 6.357 1.00 0.00 O ATOM 245 CB SER A 18 -7.777 9.162 8.012 1.00 0.00 C ATOM 246 OG SER A 18 -7.098 7.931 8.154 1.00 0.00 O ATOM 0 H SER A 18 -7.925 11.380 6.848 1.00 0.00 H new ATOM 0 HA SER A 18 -7.643 8.741 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.107 9.985 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.611 9.207 8.713 1.00 0.00 H new ATOM 0 HG SER A 18 -6.773 7.841 9.074 1.00 0.00 H new ATOM 252 N ARG A 19 -10.737 9.662 6.359 1.00 0.00 N ATOM 253 CA ARG A 19 -12.126 9.283 6.091 1.00 0.00 C ATOM 254 C ARG A 19 -12.294 8.565 4.757 1.00 0.00 C ATOM 255 O ARG A 19 -13.249 7.805 4.616 1.00 0.00 O ATOM 256 CB ARG A 19 -13.005 10.547 6.151 1.00 0.00 C ATOM 257 CG ARG A 19 -14.374 10.361 6.811 1.00 0.00 C ATOM 258 CD ARG A 19 -15.530 10.476 5.818 1.00 0.00 C ATOM 259 NE ARG A 19 -15.509 9.376 4.829 1.00 0.00 N ATOM 260 CZ ARG A 19 -16.261 9.249 3.753 1.00 0.00 C ATOM 261 NH1 ARG A 19 -17.128 10.173 3.411 1.00 0.00 N ATOM 262 NH2 ARG A 19 -16.152 8.177 3.005 1.00 0.00 N ATOM 0 H ARG A 19 -10.611 10.669 6.465 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.439 8.572 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.462 11.322 6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.156 10.913 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.410 9.384 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.499 11.108 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.477 10.463 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.472 11.433 5.300 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.835 8.629 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.231 11.012 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.699 10.052 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.487 7.445 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.732 8.075 2.172 1.00 0.00 H new ATOM 276 N TYR A 20 -11.390 8.767 3.789 1.00 0.00 N ATOM 277 CA TYR A 20 -11.353 8.033 2.530 1.00 0.00 C ATOM 278 C TYR A 20 -10.775 6.627 2.744 1.00 0.00 C ATOM 279 O TYR A 20 -11.379 5.634 2.347 1.00 0.00 O ATOM 280 CB TYR A 20 -10.547 8.847 1.493 1.00 0.00 C ATOM 281 CG TYR A 20 -10.946 10.317 1.402 1.00 0.00 C ATOM 282 CD1 TYR A 20 -12.305 10.693 1.443 1.00 0.00 C ATOM 283 CD2 TYR A 20 -9.952 11.315 1.322 1.00 0.00 C ATOM 284 CE1 TYR A 20 -12.666 12.053 1.471 1.00 0.00 C ATOM 285 CE2 TYR A 20 -10.308 12.678 1.338 1.00 0.00 C ATOM 286 CZ TYR A 20 -11.669 13.049 1.443 1.00 0.00 C ATOM 287 OH TYR A 20 -12.027 14.356 1.528 1.00 0.00 O ATOM 0 H TYR A 20 -10.649 9.463 3.868 1.00 0.00 H new ATOM 0 HA TYR A 20 -12.364 7.900 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.488 8.785 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.670 8.388 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.072 9.933 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.912 11.032 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.708 12.334 1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.544 13.438 1.270 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.225 14.918 1.496 1.00 0.00 H new ATOM 297 N TYR A 21 -9.641 6.543 3.455 1.00 0.00 N ATOM 298 CA TYR A 21 -8.920 5.298 3.720 1.00 0.00 C ATOM 299 C TYR A 21 -9.652 4.410 4.733 1.00 0.00 C ATOM 300 O TYR A 21 -9.814 3.220 4.495 1.00 0.00 O ATOM 301 CB TYR A 21 -7.502 5.628 4.214 1.00 0.00 C ATOM 302 CG TYR A 21 -6.447 4.617 3.784 1.00 0.00 C ATOM 303 CD1 TYR A 21 -6.525 3.276 4.212 1.00 0.00 C ATOM 304 CD2 TYR A 21 -5.378 5.023 2.960 1.00 0.00 C ATOM 305 CE1 TYR A 21 -5.541 2.348 3.825 1.00 0.00 C ATOM 306 CE2 TYR A 21 -4.377 4.108 2.603 1.00 0.00 C ATOM 307 CZ TYR A 21 -4.454 2.767 3.042 1.00 0.00 C ATOM 308 OH TYR A 21 -3.459 1.886 2.768 1.00 0.00 O ATOM 0 H TYR A 21 -9.193 7.360 3.870 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.864 4.733 2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.219 6.613 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.512 5.687 5.302 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.344 2.959 4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.330 6.041 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.622 1.315 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.546 4.429 1.992 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.778 2.323 2.215 1.00 0.00 H new ATOM 318 N ALA A 22 -10.118 4.977 5.854 1.00 0.00 N ATOM 319 CA ALA A 22 -10.854 4.311 6.928 1.00 0.00 C ATOM 320 C ALA A 22 -12.201 3.749 6.445 1.00 0.00 C ATOM 321 O ALA A 22 -12.658 2.724 6.947 1.00 0.00 O ATOM 322 CB ALA A 22 -11.077 5.314 8.062 1.00 0.00 C ATOM 0 H ALA A 22 -9.982 5.970 6.043 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.264 3.464 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.625 4.832 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.114 5.663 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.651 6.162 7.690 1.00 0.00 H new ATOM 328 N SER A 23 -12.828 4.398 5.451 1.00 0.00 N ATOM 329 CA SER A 23 -14.002 3.862 4.757 1.00 0.00 C ATOM 330 C SER A 23 -13.604 2.705 3.829 1.00 0.00 C ATOM 331 O SER A 23 -14.259 1.664 3.838 1.00 0.00 O ATOM 332 CB SER A 23 -14.694 4.973 3.959 1.00 0.00 C ATOM 333 OG SER A 23 -16.092 4.794 3.863 1.00 0.00 O ATOM 0 H SER A 23 -12.531 5.312 5.108 1.00 0.00 H new ATOM 0 HA SER A 23 -14.698 3.477 5.502 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.488 5.934 4.430 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.268 5.012 2.956 1.00 0.00 H new ATOM 0 HG SER A 23 -16.481 5.530 3.347 1.00 0.00 H new ATOM 339 N LEU A 24 -12.501 2.855 3.082 1.00 0.00 N ATOM 340 CA LEU A 24 -11.979 1.793 2.232 1.00 0.00 C ATOM 341 C LEU A 24 -11.503 0.582 3.050 1.00 0.00 C ATOM 342 O LEU A 24 -11.703 -0.555 2.616 1.00 0.00 O ATOM 343 CB LEU A 24 -10.867 2.350 1.318 1.00 0.00 C ATOM 344 CG LEU A 24 -10.851 1.799 -0.131 1.00 0.00 C ATOM 345 CD1 LEU A 24 -10.787 0.273 -0.201 1.00 0.00 C ATOM 346 CD2 LEU A 24 -12.063 2.294 -0.925 1.00 0.00 C ATOM 0 H LEU A 24 -11.953 3.715 3.055 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.789 1.429 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.967 3.434 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.902 2.137 1.779 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.934 2.184 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.779 -0.043 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.879 -0.076 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.657 -0.151 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.024 1.891 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.979 1.961 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.050 3.383 -0.967 1.00 0.00 H new ATOM 358 N ARG A 25 -10.968 0.799 4.247 1.00 0.00 N ATOM 359 CA ARG A 25 -10.533 -0.234 5.198 1.00 0.00 C ATOM 360 C ARG A 25 -11.589 -1.305 5.388 1.00 0.00 C ATOM 361 O ARG A 25 -11.192 -2.458 5.513 1.00 0.00 O ATOM 362 CB ARG A 25 -10.116 0.377 6.543 1.00 0.00 C ATOM 363 CG ARG A 25 -9.670 -0.634 7.625 1.00 0.00 C ATOM 364 CD ARG A 25 -8.361 -1.367 7.284 1.00 0.00 C ATOM 365 NE ARG A 25 -8.584 -2.706 6.697 1.00 0.00 N ATOM 366 CZ ARG A 25 -7.686 -3.683 6.630 1.00 0.00 C ATOM 367 NH1 ARG A 25 -6.463 -3.531 7.093 1.00 0.00 N ATOM 368 NH2 ARG A 25 -7.986 -4.834 6.097 1.00 0.00 N ATOM 0 H ARG A 25 -10.816 1.743 4.603 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.655 -0.714 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.299 1.077 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.953 0.955 6.934 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.546 -0.108 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.461 -1.370 7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.784 -0.762 6.585 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.762 -1.468 8.189 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.508 -2.896 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.184 -2.646 7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.794 -4.298 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.922 -4.995 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.285 -5.574 6.053 1.00 0.00 H new ATOM 382 N HIS A 26 -12.875 -0.931 5.373 1.00 0.00 N ATOM 383 CA HIS A 26 -14.033 -1.813 5.479 1.00 0.00 C ATOM 384 C HIS A 26 -14.136 -2.776 4.294 1.00 0.00 C ATOM 385 O HIS A 26 -14.091 -3.994 4.469 1.00 0.00 O ATOM 386 CB HIS A 26 -15.306 -0.963 5.601 1.00 0.00 C ATOM 387 CG HIS A 26 -16.488 -1.768 6.069 1.00 0.00 C ATOM 388 ND1 HIS A 26 -16.995 -1.787 7.344 1.00 0.00 N ATOM 389 CD2 HIS A 26 -17.217 -2.653 5.316 1.00 0.00 C ATOM 390 CE1 HIS A 26 -18.005 -2.674 7.370 1.00 0.00 C ATOM 391 NE2 HIS A 26 -18.176 -3.227 6.156 1.00 0.00 N ATOM 0 H HIS A 26 -13.144 0.049 5.281 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.913 -2.428 6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.128 -0.144 6.298 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.535 -0.514 4.634 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -17.076 -2.867 4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -18.596 -2.909 8.243 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.870 -3.929 5.898 1.00 0.00 H new ATOM 398 N TYR A 27 -14.250 -2.233 3.084 1.00 0.00 N ATOM 399 CA TYR A 27 -14.242 -3.021 1.849 1.00 0.00 C ATOM 400 C TYR A 27 -12.981 -3.882 1.771 1.00 0.00 C ATOM 401 O TYR A 27 -13.068 -5.096 1.619 1.00 0.00 O ATOM 402 CB TYR A 27 -14.365 -2.092 0.643 1.00 0.00 C ATOM 403 CG TYR A 27 -14.539 -2.814 -0.680 1.00 0.00 C ATOM 404 CD1 TYR A 27 -15.805 -3.312 -1.060 1.00 0.00 C ATOM 405 CD2 TYR A 27 -13.438 -2.991 -1.543 1.00 0.00 C ATOM 406 CE1 TYR A 27 -15.978 -3.961 -2.289 1.00 0.00 C ATOM 407 CE2 TYR A 27 -13.604 -3.641 -2.781 1.00 0.00 C ATOM 408 CZ TYR A 27 -14.876 -4.120 -3.167 1.00 0.00 C ATOM 409 OH TYR A 27 -15.038 -4.721 -4.377 1.00 0.00 O ATOM 0 H TYR A 27 -14.351 -1.230 2.930 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.098 -3.696 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.215 -1.426 0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.475 -1.465 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.648 -3.191 -0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.464 -2.627 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.950 -4.340 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.757 -3.774 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.179 -4.744 -4.848 1.00 0.00 H new ATOM 419 N LEU A 28 -11.805 -3.286 1.978 1.00 0.00 N ATOM 420 CA LEU A 28 -10.536 -4.008 2.017 1.00 0.00 C ATOM 421 C LEU A 28 -10.504 -5.091 3.134 1.00 0.00 C ATOM 422 O LEU A 28 -9.725 -6.029 3.045 1.00 0.00 O ATOM 423 CB LEU A 28 -9.372 -2.978 1.953 1.00 0.00 C ATOM 424 CG LEU A 28 -8.343 -3.045 3.089 1.00 0.00 C ATOM 425 CD1 LEU A 28 -7.239 -4.070 2.772 1.00 0.00 C ATOM 426 CD2 LEU A 28 -7.678 -1.695 3.389 1.00 0.00 C ATOM 0 H LEU A 28 -11.708 -2.281 2.124 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.400 -4.633 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.847 -3.113 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.802 -1.976 1.939 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.907 -3.348 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.522 -4.098 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.684 -5.057 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.728 -3.782 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.962 -1.815 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.160 -1.339 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.439 -0.971 3.680 1.00 0.00 H new ATOM 438 N ASN A 29 -11.376 -5.036 4.146 1.00 0.00 N ATOM 439 CA ASN A 29 -11.527 -6.031 5.210 1.00 0.00 C ATOM 440 C ASN A 29 -12.298 -7.273 4.754 1.00 0.00 C ATOM 441 O ASN A 29 -11.842 -8.408 4.901 1.00 0.00 O ATOM 442 CB ASN A 29 -12.238 -5.386 6.402 1.00 0.00 C ATOM 443 CG ASN A 29 -11.595 -5.660 7.750 1.00 0.00 C ATOM 444 OD1 ASN A 29 -10.384 -5.788 7.864 1.00 0.00 O ATOM 445 ND2 ASN A 29 -12.393 -5.678 8.789 1.00 0.00 N ATOM 0 H ASN A 29 -12.027 -4.258 4.249 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.529 -6.365 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.275 -4.308 6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.269 -5.740 6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.008 -5.801 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.399 -5.569 8.661 1.00 0.00 H new ATOM 452 N LEU A 30 -13.489 -7.071 4.182 1.00 0.00 N ATOM 453 CA LEU A 30 -14.279 -8.175 3.632 1.00 0.00 C ATOM 454 C LEU A 30 -13.680 -8.761 2.351 1.00 0.00 C ATOM 455 O LEU A 30 -13.988 -9.898 1.990 1.00 0.00 O ATOM 456 CB LEU A 30 -15.759 -7.774 3.530 1.00 0.00 C ATOM 457 CG LEU A 30 -16.049 -6.529 2.668 1.00 0.00 C ATOM 458 CD1 LEU A 30 -16.653 -6.893 1.307 1.00 0.00 C ATOM 459 CD2 LEU A 30 -16.970 -5.557 3.402 1.00 0.00 C ATOM 0 H LEU A 30 -13.926 -6.154 4.088 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.236 -9.011 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.319 -8.616 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.140 -7.595 4.536 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.089 -6.045 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.840 -5.983 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.958 -7.529 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.592 -7.426 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.158 -4.688 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.914 -6.052 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.496 -5.237 4.330 1.00 0.00 H new ATOM 471 N VAL A 31 -12.765 -8.022 1.711 1.00 0.00 N ATOM 472 CA VAL A 31 -11.960 -8.439 0.556 1.00 0.00 C ATOM 473 C VAL A 31 -10.741 -9.260 0.964 1.00 0.00 C ATOM 474 O VAL A 31 -10.420 -10.247 0.314 1.00 0.00 O ATOM 475 CB VAL A 31 -11.563 -7.208 -0.272 1.00 0.00 C ATOM 476 CG1 VAL A 31 -10.525 -7.461 -1.369 1.00 0.00 C ATOM 477 CG2 VAL A 31 -12.790 -6.573 -0.940 1.00 0.00 C ATOM 0 H VAL A 31 -12.555 -7.067 2.000 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.572 -9.096 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.107 -6.545 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.315 -6.529 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.607 -7.840 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.913 -8.195 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.480 -5.704 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.262 -7.300 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.502 -6.263 -0.175 1.00 0.00 H new ATOM 487 N THR A 32 -10.069 -8.887 2.066 1.00 0.00 N ATOM 488 CA THR A 32 -8.934 -9.643 2.584 1.00 0.00 C ATOM 489 C THR A 32 -9.369 -10.982 3.136 1.00 0.00 C ATOM 490 O THR A 32 -8.712 -11.965 2.819 1.00 0.00 O ATOM 491 CB THR A 32 -8.163 -8.886 3.669 1.00 0.00 C ATOM 492 OG1 THR A 32 -9.036 -8.400 4.641 1.00 0.00 O ATOM 493 CG2 THR A 32 -7.276 -7.771 3.107 1.00 0.00 C ATOM 0 H THR A 32 -10.301 -8.058 2.614 1.00 0.00 H new ATOM 0 HA THR A 32 -8.269 -9.793 1.734 1.00 0.00 H new ATOM 0 HB THR A 32 -7.486 -9.602 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.957 -8.635 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.756 -7.272 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.546 -8.198 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.894 -7.048 2.575 1.00 0.00 H new ATOM 501 N ARG A 33 -10.475 -11.049 3.890 1.00 0.00 N ATOM 502 CA ARG A 33 -11.004 -12.292 4.490 1.00 0.00 C ATOM 503 C ARG A 33 -11.013 -13.457 3.496 1.00 0.00 C ATOM 504 O ARG A 33 -10.585 -14.559 3.829 1.00 0.00 O ATOM 505 CB ARG A 33 -12.415 -12.080 5.064 1.00 0.00 C ATOM 506 CG ARG A 33 -12.811 -13.230 6.015 1.00 0.00 C ATOM 507 CD ARG A 33 -14.257 -13.709 5.812 1.00 0.00 C ATOM 508 NE ARG A 33 -14.848 -14.221 7.064 1.00 0.00 N ATOM 509 CZ ARG A 33 -14.531 -15.323 7.731 1.00 0.00 C ATOM 510 NH1 ARG A 33 -13.637 -16.180 7.305 1.00 0.00 N ATOM 511 NH2 ARG A 33 -15.113 -15.568 8.886 1.00 0.00 N ATOM 0 H ARG A 33 -11.041 -10.228 4.107 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.328 -12.553 5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.453 -11.132 5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.136 -12.014 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.132 -14.069 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.685 -12.900 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.863 -12.885 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.277 -14.492 5.054 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.595 -13.656 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.150 -16.014 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.428 -17.014 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.800 -14.914 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.877 -16.412 9.407 1.00 0.00 H new ATOM 525 N GLN A 34 -11.473 -13.185 2.270 1.00 0.00 N ATOM 526 CA GLN A 34 -11.523 -14.126 1.146 1.00 0.00 C ATOM 527 C GLN A 34 -10.175 -14.824 0.904 1.00 0.00 C ATOM 528 O GLN A 34 -10.136 -16.039 0.733 1.00 0.00 O ATOM 529 CB GLN A 34 -12.025 -13.365 -0.098 1.00 0.00 C ATOM 530 CG GLN A 34 -13.260 -14.038 -0.717 1.00 0.00 C ATOM 531 CD GLN A 34 -14.072 -13.084 -1.595 1.00 0.00 C ATOM 532 OE1 GLN A 34 -14.547 -12.046 -1.152 1.00 0.00 O ATOM 533 NE2 GLN A 34 -14.311 -13.415 -2.848 1.00 0.00 N ATOM 0 H GLN A 34 -11.836 -12.264 2.024 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.217 -14.933 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.269 -12.339 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.228 -13.315 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.942 -14.893 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.897 -14.424 0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.922 -14.277 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.885 -12.810 -3.435 1.00 0.00 H new ATOM 542 N ARG A 35 -9.069 -14.067 0.944 1.00 0.00 N ATOM 543 CA ARG A 35 -7.688 -14.525 0.730 1.00 0.00 C ATOM 544 C ARG A 35 -6.766 -14.148 1.907 1.00 0.00 C ATOM 545 O ARG A 35 -5.640 -13.691 1.711 1.00 0.00 O ATOM 546 CB ARG A 35 -7.214 -14.011 -0.647 1.00 0.00 C ATOM 547 CG ARG A 35 -7.667 -14.940 -1.780 1.00 0.00 C ATOM 548 CD ARG A 35 -6.584 -15.975 -2.159 1.00 0.00 C ATOM 549 NE ARG A 35 -6.197 -15.868 -3.574 1.00 0.00 N ATOM 550 CZ ARG A 35 -5.487 -14.898 -4.142 1.00 0.00 C ATOM 551 NH1 ARG A 35 -4.985 -13.906 -3.451 1.00 0.00 N ATOM 552 NH2 ARG A 35 -5.274 -14.902 -5.437 1.00 0.00 N ATOM 0 H ARG A 35 -9.116 -13.066 1.137 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.646 -15.614 0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.607 -13.009 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.127 -13.932 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.575 -15.462 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.919 -14.344 -2.657 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.706 -15.829 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.956 -16.980 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.508 -16.621 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.134 -13.860 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.445 -13.179 -3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.654 -15.652 -6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.728 -14.155 -5.866 1.00 0.00 H new ATOM 566 N TYR A 36 -7.215 -14.410 3.141 1.00 0.00 N ATOM 567 CA TYR A 36 -6.484 -14.082 4.367 1.00 0.00 C ATOM 568 C TYR A 36 -5.536 -15.228 4.780 1.00 0.00 C ATOM 569 O TYR A 36 -5.508 -15.717 5.904 1.00 0.00 O ATOM 570 CB TYR A 36 -7.485 -13.652 5.458 1.00 0.00 C ATOM 571 CG TYR A 36 -6.999 -12.543 6.386 1.00 0.00 C ATOM 572 CD1 TYR A 36 -5.933 -12.767 7.277 1.00 0.00 C ATOM 573 CD2 TYR A 36 -7.620 -11.278 6.354 1.00 0.00 C ATOM 574 CE1 TYR A 36 -5.467 -11.727 8.097 1.00 0.00 C ATOM 575 CE2 TYR A 36 -7.170 -10.238 7.183 1.00 0.00 C ATOM 576 CZ TYR A 36 -6.082 -10.453 8.053 1.00 0.00 C ATOM 577 OH TYR A 36 -5.614 -9.417 8.791 1.00 0.00 O ATOM 0 H TYR A 36 -8.112 -14.863 3.316 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.823 -13.232 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.405 -13.322 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.737 -14.524 6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.472 -13.742 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.450 -11.107 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.636 -11.900 8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.657 -9.274 7.154 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.165 -8.623 8.627 1.00 0.00 H new HETATM 587 N NH2 A 37 -4.719 -15.711 3.854 1.00 0.00 N TER 590 NH2 A 37