USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 275 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+ -144:sc= -0.478 (180deg=-2.26!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.2!) USER MOD Single : A 32 THR OG1 : rot 160:sc= -0.289 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 19.430 -10.143 -21.352 1.00 0.00 N ATOM 2 CA TYR A 1 18.342 -11.142 -21.245 1.00 0.00 C ATOM 3 C TYR A 1 17.017 -10.500 -20.848 1.00 0.00 C ATOM 4 O TYR A 1 16.083 -10.611 -21.636 1.00 0.00 O ATOM 5 CB TYR A 1 18.678 -12.301 -20.289 1.00 0.00 C ATOM 6 CG TYR A 1 18.871 -13.622 -20.974 1.00 0.00 C ATOM 7 CD1 TYR A 1 17.751 -14.431 -21.268 1.00 0.00 C ATOM 8 CD2 TYR A 1 20.167 -14.077 -21.281 1.00 0.00 C ATOM 9 CE1 TYR A 1 17.928 -15.685 -21.887 1.00 0.00 C ATOM 10 CE2 TYR A 1 20.349 -15.321 -21.899 1.00 0.00 C ATOM 11 CZ TYR A 1 19.232 -16.121 -22.220 1.00 0.00 C ATOM 12 OH TYR A 1 19.426 -17.296 -22.873 1.00 0.00 O ATOM 0 H1 TYR A 1 20.065 -10.404 -22.133 1.00 0.00 H new ATOM 0 H2 TYR A 1 19.022 -9.204 -21.536 1.00 0.00 H new ATOM 0 H3 TYR A 1 19.967 -10.118 -20.462 1.00 0.00 H new ATOM 0 HA TYR A 1 18.238 -11.565 -22.244 1.00 0.00 H new ATOM 0 HB2 TYR A 1 19.586 -12.053 -19.739 1.00 0.00 H new ATOM 0 HB3 TYR A 1 17.877 -12.397 -19.556 1.00 0.00 H new ATOM 0 HD1 TYR A 1 16.758 -14.088 -21.018 1.00 0.00 H new ATOM 0 HD2 TYR A 1 21.024 -13.465 -21.039 1.00 0.00 H new ATOM 0 HE1 TYR A 1 17.074 -16.309 -22.106 1.00 0.00 H new ATOM 0 HE2 TYR A 1 21.345 -15.668 -22.130 1.00 0.00 H new ATOM 0 HH TYR A 1 20.385 -17.434 -23.020 1.00 0.00 H new ATOM 24 N PRO A 2 16.909 -9.852 -19.665 1.00 0.00 N ATOM 25 CA PRO A 2 15.681 -9.187 -19.260 1.00 0.00 C ATOM 26 C PRO A 2 15.469 -7.906 -20.079 1.00 0.00 C ATOM 27 O PRO A 2 16.345 -7.471 -20.831 1.00 0.00 O ATOM 28 CB PRO A 2 15.841 -8.896 -17.764 1.00 0.00 C ATOM 29 CG PRO A 2 17.350 -8.851 -17.522 1.00 0.00 C ATOM 30 CD PRO A 2 17.976 -9.570 -18.715 1.00 0.00 C ATOM 0 HA PRO A 2 14.800 -9.803 -19.438 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.371 -7.950 -17.495 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.368 -9.670 -17.160 1.00 0.00 H new ATOM 0 HG2 PRO A 2 17.706 -7.823 -17.452 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.612 -9.343 -16.585 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.745 -8.950 -19.175 1.00 0.00 H new ATOM 0 HD3 PRO A 2 18.459 -10.493 -18.396 1.00 0.00 H new ATOM 38 N SER A 3 14.291 -7.313 -19.907 1.00 0.00 N ATOM 39 CA SER A 3 13.910 -6.040 -20.507 1.00 0.00 C ATOM 40 C SER A 3 12.743 -5.439 -19.725 1.00 0.00 C ATOM 41 O SER A 3 12.282 -6.046 -18.758 1.00 0.00 O ATOM 42 CB SER A 3 13.526 -6.243 -21.978 1.00 0.00 C ATOM 43 OG SER A 3 13.960 -5.080 -22.668 1.00 0.00 O ATOM 0 H SER A 3 13.554 -7.718 -19.329 1.00 0.00 H new ATOM 0 HA SER A 3 14.755 -5.353 -20.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.001 -7.136 -22.384 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.450 -6.379 -22.084 1.00 0.00 H new ATOM 0 HG SER A 3 13.738 -5.162 -23.619 1.00 0.00 H new ATOM 49 N LYS A 4 12.254 -4.278 -20.172 1.00 0.00 N ATOM 50 CA LYS A 4 11.158 -3.523 -19.553 1.00 0.00 C ATOM 51 C LYS A 4 11.533 -3.088 -18.119 1.00 0.00 C ATOM 52 O LYS A 4 11.053 -3.648 -17.139 1.00 0.00 O ATOM 53 CB LYS A 4 9.827 -4.317 -19.650 1.00 0.00 C ATOM 54 CG LYS A 4 8.787 -3.626 -20.551 1.00 0.00 C ATOM 55 CD LYS A 4 7.341 -3.886 -20.082 1.00 0.00 C ATOM 56 CE LYS A 4 6.448 -4.464 -21.190 1.00 0.00 C ATOM 57 NZ LYS A 4 5.117 -3.807 -21.238 1.00 0.00 N ATOM 0 H LYS A 4 12.624 -3.821 -21.005 1.00 0.00 H new ATOM 0 HA LYS A 4 10.993 -2.598 -20.105 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.032 -5.315 -20.038 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.410 -4.442 -18.651 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.975 -2.552 -20.562 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.904 -3.981 -21.575 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.357 -4.576 -19.238 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.908 -2.953 -19.723 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.945 -4.346 -22.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.317 -5.534 -21.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.549 -4.229 -22.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.631 -3.941 -20.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.238 -2.790 -21.419 1.00 0.00 H new ATOM 71 N PRO A 5 12.416 -2.076 -17.991 1.00 0.00 N ATOM 72 CA PRO A 5 12.770 -1.522 -16.694 1.00 0.00 C ATOM 73 C PRO A 5 11.607 -0.716 -16.098 1.00 0.00 C ATOM 74 O PRO A 5 10.572 -0.492 -16.727 1.00 0.00 O ATOM 75 CB PRO A 5 14.014 -0.656 -16.942 1.00 0.00 C ATOM 76 CG PRO A 5 13.949 -0.276 -18.421 1.00 0.00 C ATOM 77 CD PRO A 5 12.997 -1.276 -19.065 1.00 0.00 C ATOM 0 HA PRO A 5 12.980 -2.301 -15.962 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.010 0.230 -16.307 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.928 -1.206 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.588 0.745 -18.547 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.936 -0.324 -18.881 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.217 -0.759 -19.624 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.529 -1.912 -19.773 1.00 0.00 H new ATOM 85 N ASP A 6 11.818 -0.268 -14.866 1.00 0.00 N ATOM 86 CA ASP A 6 10.865 0.448 -14.029 1.00 0.00 C ATOM 87 C ASP A 6 11.555 1.663 -13.407 1.00 0.00 C ATOM 88 O ASP A 6 11.163 2.787 -13.705 1.00 0.00 O ATOM 89 CB ASP A 6 10.261 -0.501 -12.977 1.00 0.00 C ATOM 90 CG ASP A 6 11.305 -1.225 -12.102 1.00 0.00 C ATOM 91 OD1 ASP A 6 12.200 -1.898 -12.665 1.00 0.00 O ATOM 92 OD2 ASP A 6 11.283 -1.009 -10.873 1.00 0.00 O ATOM 0 H ASP A 6 12.714 -0.404 -14.397 1.00 0.00 H new ATOM 0 HA ASP A 6 10.033 0.814 -14.630 1.00 0.00 H new ATOM 0 HB2 ASP A 6 9.595 0.069 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.650 -1.247 -13.486 1.00 0.00 H new ATOM 97 N ASN A 7 12.611 1.435 -12.610 1.00 0.00 N ATOM 98 CA ASN A 7 13.380 2.439 -11.882 1.00 0.00 C ATOM 99 C ASN A 7 12.458 3.355 -11.050 1.00 0.00 C ATOM 100 O ASN A 7 12.116 4.451 -11.500 1.00 0.00 O ATOM 101 CB ASN A 7 14.294 3.214 -12.847 1.00 0.00 C ATOM 102 CG ASN A 7 15.402 2.352 -13.442 1.00 0.00 C ATOM 103 OD1 ASN A 7 15.189 1.360 -14.120 1.00 0.00 O ATOM 104 ND2 ASN A 7 16.646 2.726 -13.209 1.00 0.00 N ATOM 0 H ASN A 7 12.965 0.491 -12.452 1.00 0.00 H new ATOM 0 HA ASN A 7 14.029 1.938 -11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.691 3.629 -13.655 1.00 0.00 H new ATOM 0 HB3 ASN A 7 14.741 4.056 -12.318 1.00 0.00 H new ATOM 0 HD21 ASN A 7 17.421 2.187 -13.595 1.00 0.00 H new ATOM 0 HD22 ASN A 7 16.832 3.554 -12.643 1.00 0.00 H new ATOM 111 N PRO A 8 12.057 2.921 -9.837 1.00 0.00 N ATOM 112 CA PRO A 8 11.170 3.701 -8.992 1.00 0.00 C ATOM 113 C PRO A 8 11.859 4.986 -8.508 1.00 0.00 C ATOM 114 O PRO A 8 13.061 5.198 -8.699 1.00 0.00 O ATOM 115 CB PRO A 8 10.749 2.771 -7.845 1.00 0.00 C ATOM 116 CG PRO A 8 11.825 1.690 -7.780 1.00 0.00 C ATOM 117 CD PRO A 8 12.549 1.743 -9.125 1.00 0.00 C ATOM 0 HA PRO A 8 10.288 4.045 -9.532 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.682 3.315 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.767 2.336 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.515 1.874 -6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.383 0.708 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.627 1.805 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.357 0.838 -9.701 1.00 0.00 H new ATOM 125 N GLY A 9 11.074 5.857 -7.866 1.00 0.00 N ATOM 126 CA GLY A 9 11.562 7.079 -7.252 1.00 0.00 C ATOM 127 C GLY A 9 11.876 6.844 -5.779 1.00 0.00 C ATOM 128 O GLY A 9 12.583 5.909 -5.433 1.00 0.00 O ATOM 0 H GLY A 9 10.068 5.724 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.457 7.422 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.815 7.867 -7.350 1.00 0.00 H new ATOM 132 N GLU A 10 11.353 7.725 -4.922 1.00 0.00 N ATOM 133 CA GLU A 10 11.531 7.718 -3.468 1.00 0.00 C ATOM 134 C GLU A 10 10.522 8.697 -2.852 1.00 0.00 C ATOM 135 O GLU A 10 10.681 9.899 -3.011 1.00 0.00 O ATOM 136 CB GLU A 10 12.973 8.129 -3.105 1.00 0.00 C ATOM 137 CG GLU A 10 13.831 6.942 -2.646 1.00 0.00 C ATOM 138 CD GLU A 10 13.825 6.813 -1.120 1.00 0.00 C ATOM 139 OE1 GLU A 10 12.820 6.288 -0.581 1.00 0.00 O ATOM 140 OE2 GLU A 10 14.826 7.235 -0.505 1.00 0.00 O ATOM 0 H GLU A 10 10.767 8.498 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 10 11.359 6.716 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.442 8.597 -3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.944 8.878 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.453 6.022 -3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.854 7.071 -2.999 1.00 0.00 H new ATOM 147 N ASP A 11 9.472 8.155 -2.211 1.00 0.00 N ATOM 148 CA ASP A 11 8.360 8.863 -1.551 1.00 0.00 C ATOM 149 C ASP A 11 7.244 7.845 -1.246 1.00 0.00 C ATOM 150 O ASP A 11 6.379 7.566 -2.079 1.00 0.00 O ATOM 151 CB ASP A 11 7.814 10.066 -2.369 1.00 0.00 C ATOM 152 CG ASP A 11 8.375 11.440 -1.967 1.00 0.00 C ATOM 153 OD1 ASP A 11 8.848 11.569 -0.811 1.00 0.00 O ATOM 154 OD2 ASP A 11 8.232 12.376 -2.794 1.00 0.00 O ATOM 0 H ASP A 11 9.370 7.143 -2.135 1.00 0.00 H new ATOM 0 HA ASP A 11 8.742 9.299 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.032 9.897 -3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.729 10.091 -2.268 1.00 0.00 H new ATOM 159 N ALA A 12 7.279 7.249 -0.051 1.00 0.00 N ATOM 160 CA ALA A 12 6.201 6.368 0.412 1.00 0.00 C ATOM 161 C ALA A 12 4.940 7.179 0.797 1.00 0.00 C ATOM 162 O ALA A 12 5.023 8.370 1.103 1.00 0.00 O ATOM 163 CB ALA A 12 6.723 5.513 1.571 1.00 0.00 C ATOM 0 H ALA A 12 8.043 7.360 0.615 1.00 0.00 H new ATOM 0 HA ALA A 12 5.895 5.704 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.929 4.854 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.567 4.914 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.044 6.162 2.386 1.00 0.00 H new ATOM 169 N PRO A 13 3.754 6.541 0.799 1.00 0.00 N ATOM 170 CA PRO A 13 2.523 7.177 1.245 1.00 0.00 C ATOM 171 C PRO A 13 2.443 7.300 2.776 1.00 0.00 C ATOM 172 O PRO A 13 3.205 6.679 3.515 1.00 0.00 O ATOM 173 CB PRO A 13 1.403 6.291 0.711 1.00 0.00 C ATOM 174 CG PRO A 13 2.017 4.904 0.506 1.00 0.00 C ATOM 175 CD PRO A 13 3.524 5.143 0.442 1.00 0.00 C ATOM 0 HA PRO A 13 2.459 8.200 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.571 6.249 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.008 6.684 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.758 4.233 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.651 4.442 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.049 4.479 1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.905 4.933 -0.557 1.00 0.00 H new ATOM 183 N ALA A 14 1.456 8.072 3.243 1.00 0.00 N ATOM 184 CA ALA A 14 1.208 8.348 4.661 1.00 0.00 C ATOM 185 C ALA A 14 -0.269 8.720 4.937 1.00 0.00 C ATOM 186 O ALA A 14 -0.556 9.500 5.844 1.00 0.00 O ATOM 187 CB ALA A 14 2.186 9.442 5.115 1.00 0.00 C ATOM 0 H ALA A 14 0.789 8.535 2.626 1.00 0.00 H new ATOM 0 HA ALA A 14 1.383 7.444 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.020 9.664 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.210 9.096 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.023 10.343 4.524 1.00 0.00 H new ATOM 193 N GLU A 15 -1.214 8.195 4.140 1.00 0.00 N ATOM 194 CA GLU A 15 -2.644 8.467 4.253 1.00 0.00 C ATOM 195 C GLU A 15 -3.404 7.131 4.437 1.00 0.00 C ATOM 196 O GLU A 15 -2.867 6.177 4.986 1.00 0.00 O ATOM 197 CB GLU A 15 -3.107 9.283 3.027 1.00 0.00 C ATOM 198 CG GLU A 15 -4.347 10.138 3.352 1.00 0.00 C ATOM 199 CD GLU A 15 -5.296 10.286 2.156 1.00 0.00 C ATOM 200 OE1 GLU A 15 -5.841 9.231 1.751 1.00 0.00 O ATOM 201 OE2 GLU A 15 -5.521 11.441 1.704 1.00 0.00 O ATOM 0 H GLU A 15 -0.991 7.552 3.380 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.864 9.074 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.296 9.929 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.336 8.606 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.886 9.686 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.025 11.127 3.680 1.00 0.00 H new ATOM 208 N ASP A 16 -4.651 7.067 3.975 1.00 0.00 N ATOM 209 CA ASP A 16 -5.499 5.881 4.061 1.00 0.00 C ATOM 210 C ASP A 16 -5.040 4.819 3.055 1.00 0.00 C ATOM 211 O ASP A 16 -4.914 3.650 3.417 1.00 0.00 O ATOM 212 CB ASP A 16 -6.968 6.263 3.809 1.00 0.00 C ATOM 213 CG ASP A 16 -7.707 6.818 5.038 1.00 0.00 C ATOM 214 OD1 ASP A 16 -7.374 6.425 6.183 1.00 0.00 O ATOM 215 OD2 ASP A 16 -8.629 7.641 4.812 1.00 0.00 O ATOM 0 H ASP A 16 -5.110 7.856 3.520 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.414 5.462 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.004 7.007 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.501 5.384 3.448 1.00 0.00 H new ATOM 220 N LEU A 17 -4.751 5.222 1.802 1.00 0.00 N ATOM 221 CA LEU A 17 -4.277 4.342 0.713 1.00 0.00 C ATOM 222 C LEU A 17 -3.079 3.460 1.131 1.00 0.00 C ATOM 223 O LEU A 17 -2.869 2.365 0.596 1.00 0.00 O ATOM 224 CB LEU A 17 -4.032 5.165 -0.573 1.00 0.00 C ATOM 225 CG LEU A 17 -2.613 5.686 -0.887 1.00 0.00 C ATOM 226 CD1 LEU A 17 -2.018 6.479 0.276 1.00 0.00 C ATOM 227 CD2 LEU A 17 -1.655 4.578 -1.362 1.00 0.00 C ATOM 0 H LEU A 17 -4.843 6.195 1.510 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.066 3.625 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.349 4.553 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.696 6.029 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.731 6.373 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.020 6.825 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.653 7.338 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.956 5.841 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.674 5.008 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.564 3.819 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.048 4.122 -2.271 1.00 0.00 H new ATOM 239 N ALA A 18 -2.319 3.919 2.129 1.00 0.00 N ATOM 240 CA ALA A 18 -1.199 3.230 2.740 1.00 0.00 C ATOM 241 C ALA A 18 -1.693 1.981 3.479 1.00 0.00 C ATOM 242 O ALA A 18 -1.217 0.875 3.226 1.00 0.00 O ATOM 243 CB ALA A 18 -0.489 4.204 3.693 1.00 0.00 C ATOM 0 H ALA A 18 -2.485 4.833 2.550 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.492 2.901 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.357 3.702 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.133 5.068 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.187 4.534 4.462 1.00 0.00 H new ATOM 249 N GLN A 19 -2.682 2.145 4.366 1.00 0.00 N ATOM 250 CA GLN A 19 -3.298 1.048 5.090 1.00 0.00 C ATOM 251 C GLN A 19 -4.179 0.167 4.193 1.00 0.00 C ATOM 252 O GLN A 19 -4.296 -1.025 4.455 1.00 0.00 O ATOM 253 CB GLN A 19 -4.132 1.557 6.276 1.00 0.00 C ATOM 254 CG GLN A 19 -3.743 0.805 7.563 1.00 0.00 C ATOM 255 CD GLN A 19 -4.933 0.581 8.481 1.00 0.00 C ATOM 256 OE1 GLN A 19 -5.137 1.275 9.464 1.00 0.00 O ATOM 257 NE2 GLN A 19 -5.742 -0.424 8.196 1.00 0.00 N ATOM 0 H GLN A 19 -3.075 3.057 4.597 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.474 0.438 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.972 2.627 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.193 1.416 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.303 -0.157 7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.978 1.371 8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.568 -1.001 7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.541 -0.622 8.799 1.00 0.00 H new ATOM 266 N TYR A 20 -4.755 0.727 3.122 1.00 0.00 N ATOM 267 CA TYR A 20 -5.459 -0.020 2.074 1.00 0.00 C ATOM 268 C TYR A 20 -4.562 -1.132 1.527 1.00 0.00 C ATOM 269 O TYR A 20 -4.953 -2.299 1.529 1.00 0.00 O ATOM 270 CB TYR A 20 -5.880 0.942 0.955 1.00 0.00 C ATOM 271 CG TYR A 20 -7.296 1.470 1.030 1.00 0.00 C ATOM 272 CD1 TYR A 20 -8.366 0.685 0.560 1.00 0.00 C ATOM 273 CD2 TYR A 20 -7.547 2.764 1.534 1.00 0.00 C ATOM 274 CE1 TYR A 20 -9.683 1.183 0.623 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.854 3.270 1.596 1.00 0.00 C ATOM 276 CZ TYR A 20 -9.927 2.476 1.152 1.00 0.00 C ATOM 277 OH TYR A 20 -11.195 2.949 1.253 1.00 0.00 O ATOM 0 H TYR A 20 -4.744 1.734 2.957 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.353 -0.482 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.197 1.791 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.753 0.433 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.178 -0.297 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.723 3.372 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.506 0.580 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.035 4.262 1.982 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.178 3.850 1.638 1.00 0.00 H new ATOM 287 N ALA A 21 -3.333 -0.775 1.126 1.00 0.00 N ATOM 288 CA ALA A 21 -2.358 -1.752 0.651 1.00 0.00 C ATOM 289 C ALA A 21 -2.025 -2.814 1.716 1.00 0.00 C ATOM 290 O ALA A 21 -1.752 -3.956 1.347 1.00 0.00 O ATOM 291 CB ALA A 21 -1.103 -1.039 0.142 1.00 0.00 C ATOM 0 H ALA A 21 -2.996 0.188 1.124 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.806 -2.294 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.382 -1.777 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.370 -0.373 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.661 -0.458 0.951 1.00 0.00 H new ATOM 297 N ALA A 22 -2.115 -2.472 3.010 1.00 0.00 N ATOM 298 CA ALA A 22 -1.891 -3.365 4.148 1.00 0.00 C ATOM 299 C ALA A 22 -3.064 -4.337 4.348 1.00 0.00 C ATOM 300 O ALA A 22 -2.846 -5.538 4.449 1.00 0.00 O ATOM 301 CB ALA A 22 -1.649 -2.538 5.421 1.00 0.00 C ATOM 0 H ALA A 22 -2.356 -1.524 3.300 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.006 -3.966 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.483 -3.208 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.772 -1.905 5.283 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.520 -1.913 5.620 1.00 0.00 H new ATOM 307 N ASP A 23 -4.305 -3.831 4.374 1.00 0.00 N ATOM 308 CA ASP A 23 -5.508 -4.660 4.492 1.00 0.00 C ATOM 309 C ASP A 23 -5.572 -5.652 3.337 1.00 0.00 C ATOM 310 O ASP A 23 -5.772 -6.841 3.564 1.00 0.00 O ATOM 311 CB ASP A 23 -6.782 -3.789 4.511 1.00 0.00 C ATOM 312 CG ASP A 23 -7.825 -4.180 5.562 1.00 0.00 C ATOM 313 OD1 ASP A 23 -7.533 -5.056 6.410 1.00 0.00 O ATOM 314 OD2 ASP A 23 -8.935 -3.610 5.500 1.00 0.00 O ATOM 0 H ASP A 23 -4.501 -2.832 4.313 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.455 -5.206 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.491 -2.752 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.248 -3.833 3.526 1.00 0.00 H new ATOM 319 N LEU A 24 -5.326 -5.173 2.104 1.00 0.00 N ATOM 320 CA LEU A 24 -5.234 -6.035 0.923 1.00 0.00 C ATOM 321 C LEU A 24 -4.075 -7.036 1.040 1.00 0.00 C ATOM 322 O LEU A 24 -4.269 -8.205 0.713 1.00 0.00 O ATOM 323 CB LEU A 24 -5.139 -5.156 -0.341 1.00 0.00 C ATOM 324 CG LEU A 24 -6.516 -4.565 -0.735 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.485 -3.065 -0.997 1.00 0.00 C ATOM 326 CD2 LEU A 24 -7.072 -5.266 -1.981 1.00 0.00 C ATOM 0 H LEU A 24 -5.187 -4.182 1.904 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.136 -6.642 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.432 -4.345 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.748 -5.749 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.161 -4.738 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.484 -2.722 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.154 -2.545 -0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.795 -2.852 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.039 -4.835 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.381 -5.132 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.192 -6.330 -1.777 1.00 0.00 H new ATOM 338 N ARG A 25 -2.912 -6.622 1.577 1.00 0.00 N ATOM 339 CA ARG A 25 -1.766 -7.501 1.885 1.00 0.00 C ATOM 340 C ARG A 25 -2.095 -8.575 2.920 1.00 0.00 C ATOM 341 O ARG A 25 -1.562 -9.685 2.834 1.00 0.00 O ATOM 342 CB ARG A 25 -0.583 -6.666 2.402 1.00 0.00 C ATOM 343 CG ARG A 25 0.540 -6.444 1.377 1.00 0.00 C ATOM 344 CD ARG A 25 1.785 -7.279 1.708 1.00 0.00 C ATOM 345 NE ARG A 25 1.709 -8.644 1.161 1.00 0.00 N ATOM 346 CZ ARG A 25 2.450 -9.683 1.527 1.00 0.00 C ATOM 347 NH1 ARG A 25 3.311 -9.599 2.517 1.00 0.00 N ATOM 348 NH2 ARG A 25 2.342 -10.830 0.899 1.00 0.00 N ATOM 0 H ARG A 25 -2.738 -5.645 1.814 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.509 -8.005 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.956 -5.695 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.164 -7.158 3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.181 -6.705 0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.807 -5.387 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.669 -6.780 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.907 -7.331 2.790 1.00 0.00 H new ATOM 0 HE ARG A 25 1.019 -8.808 0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.422 -8.721 3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.868 -10.412 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.686 -10.927 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.914 -11.624 1.185 1.00 0.00 H new ATOM 362 N HIS A 26 -2.951 -8.261 3.893 1.00 0.00 N ATOM 363 CA HIS A 26 -3.375 -9.202 4.913 1.00 0.00 C ATOM 364 C HIS A 26 -4.439 -10.137 4.355 1.00 0.00 C ATOM 365 O HIS A 26 -4.237 -11.344 4.388 1.00 0.00 O ATOM 366 CB HIS A 26 -3.873 -8.479 6.165 1.00 0.00 C ATOM 367 CG HIS A 26 -3.908 -9.419 7.350 1.00 0.00 C ATOM 368 ND1 HIS A 26 -2.801 -9.925 7.992 1.00 0.00 N ATOM 369 CD2 HIS A 26 -5.017 -9.933 7.956 1.00 0.00 C ATOM 370 CE1 HIS A 26 -3.243 -10.737 8.974 1.00 0.00 C ATOM 371 NE2 HIS A 26 -4.582 -10.765 8.994 1.00 0.00 N ATOM 0 H HIS A 26 -3.370 -7.336 3.990 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.512 -9.799 5.208 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.222 -7.633 6.385 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.870 -8.076 5.985 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.043 -9.734 7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.606 -11.288 9.650 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.170 -11.291 9.640 1.00 0.00 H new ATOM 378 N TYR A 27 -5.517 -9.596 3.772 1.00 0.00 N ATOM 379 CA TYR A 27 -6.534 -10.349 3.047 1.00 0.00 C ATOM 380 C TYR A 27 -5.902 -11.337 2.079 1.00 0.00 C ATOM 381 O TYR A 27 -6.340 -12.469 2.064 1.00 0.00 O ATOM 382 CB TYR A 27 -7.501 -9.426 2.285 1.00 0.00 C ATOM 383 CG TYR A 27 -8.848 -9.253 2.956 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.801 -10.286 2.876 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.159 -8.063 3.634 1.00 0.00 C ATOM 386 CE1 TYR A 27 -11.071 -10.126 3.459 1.00 0.00 C ATOM 387 CE2 TYR A 27 -10.428 -7.894 4.217 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.389 -8.924 4.125 1.00 0.00 C ATOM 389 OH TYR A 27 -12.624 -8.766 4.669 1.00 0.00 O ATOM 0 H TYR A 27 -5.706 -8.594 3.796 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.105 -10.899 3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.036 -8.447 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.655 -9.826 1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.556 -11.205 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.423 -7.276 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.800 -10.921 3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.667 -6.977 4.735 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.684 -7.884 5.093 1.00 0.00 H new ATOM 399 N ILE A 28 -4.864 -10.950 1.319 1.00 0.00 N ATOM 400 CA ILE A 28 -4.164 -11.894 0.442 1.00 0.00 C ATOM 401 C ILE A 28 -3.615 -13.077 1.238 1.00 0.00 C ATOM 402 O ILE A 28 -4.009 -14.206 0.954 1.00 0.00 O ATOM 403 CB ILE A 28 -3.136 -11.162 -0.462 1.00 0.00 C ATOM 404 CG1 ILE A 28 -3.458 -11.405 -1.953 1.00 0.00 C ATOM 405 CG2 ILE A 28 -1.650 -11.433 -0.173 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.088 -10.194 -2.822 1.00 0.00 C ATOM 0 H ILE A 28 -4.496 -9.999 1.296 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.873 -12.338 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.261 -10.110 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.915 -12.283 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.520 -11.621 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.034 -10.865 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.417 -11.130 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.444 -12.497 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.330 -10.406 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.650 -9.322 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.020 -9.994 -2.731 1.00 0.00 H new ATOM 417 N ASN A 29 -2.783 -12.827 2.258 1.00 0.00 N ATOM 418 CA ASN A 29 -2.126 -13.854 3.076 1.00 0.00 C ATOM 419 C ASN A 29 -3.117 -14.681 3.923 1.00 0.00 C ATOM 420 O ASN A 29 -2.843 -15.832 4.276 1.00 0.00 O ATOM 421 CB ASN A 29 -1.079 -13.180 3.977 1.00 0.00 C ATOM 422 CG ASN A 29 0.329 -13.748 3.851 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.600 -14.789 3.279 1.00 0.00 O ATOM 424 ND2 ASN A 29 1.299 -13.037 4.391 1.00 0.00 N ATOM 0 H ASN A 29 -2.542 -11.878 2.544 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.647 -14.561 2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.049 -12.116 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.401 -13.269 5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.264 -13.360 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.084 -12.164 4.872 1.00 0.00 H new ATOM 431 N LEU A 30 -4.269 -14.092 4.256 1.00 0.00 N ATOM 432 CA LEU A 30 -5.369 -14.754 4.952 1.00 0.00 C ATOM 433 C LEU A 30 -6.183 -15.624 3.997 1.00 0.00 C ATOM 434 O LEU A 30 -6.319 -16.821 4.236 1.00 0.00 O ATOM 435 CB LEU A 30 -6.262 -13.703 5.654 1.00 0.00 C ATOM 436 CG LEU A 30 -6.028 -13.590 7.173 1.00 0.00 C ATOM 437 CD1 LEU A 30 -7.120 -12.701 7.770 1.00 0.00 C ATOM 438 CD2 LEU A 30 -6.075 -14.963 7.867 1.00 0.00 C ATOM 0 H LEU A 30 -4.465 -13.114 4.042 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.951 -15.414 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.086 -12.729 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.308 -13.954 5.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.037 -13.165 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.968 -12.611 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.075 -11.712 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.097 -13.145 7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.905 -14.836 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.052 -15.419 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.301 -15.608 7.451 1.00 0.00 H new ATOM 450 N ILE A 31 -6.695 -15.041 2.908 1.00 0.00 N ATOM 451 CA ILE A 31 -7.448 -15.722 1.857 1.00 0.00 C ATOM 452 C ILE A 31 -6.615 -16.868 1.282 1.00 0.00 C ATOM 453 O ILE A 31 -7.146 -17.954 1.129 1.00 0.00 O ATOM 454 CB ILE A 31 -7.875 -14.737 0.745 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.924 -13.706 1.234 1.00 0.00 C ATOM 456 CG2 ILE A 31 -8.391 -15.451 -0.514 1.00 0.00 C ATOM 457 CD1 ILE A 31 -10.385 -14.168 1.234 1.00 0.00 C ATOM 0 H ILE A 31 -6.590 -14.042 2.730 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.358 -16.133 2.294 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.966 -14.198 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.661 -13.406 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.847 -12.817 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.676 -14.710 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.605 -16.090 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.258 -16.060 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.022 -13.361 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.681 -14.437 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.492 -15.035 1.886 1.00 0.00 H new ATOM 468 N THR A 32 -5.321 -16.663 0.992 1.00 0.00 N ATOM 469 CA THR A 32 -4.432 -17.730 0.512 1.00 0.00 C ATOM 470 C THR A 32 -4.560 -18.981 1.368 1.00 0.00 C ATOM 471 O THR A 32 -4.781 -20.052 0.827 1.00 0.00 O ATOM 472 CB THR A 32 -2.955 -17.305 0.448 1.00 0.00 C ATOM 473 OG1 THR A 32 -2.546 -16.635 1.613 1.00 0.00 O ATOM 474 CG2 THR A 32 -2.673 -16.366 -0.731 1.00 0.00 C ATOM 0 H THR A 32 -4.864 -15.756 1.083 1.00 0.00 H new ATOM 0 HA THR A 32 -4.757 -17.946 -0.506 1.00 0.00 H new ATOM 0 HB THR A 32 -2.400 -18.236 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.569 -16.666 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.618 -16.093 -0.735 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.921 -16.870 -1.665 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.280 -15.466 -0.633 1.00 0.00 H new ATOM 482 N ARG A 33 -4.516 -18.857 2.699 1.00 0.00 N ATOM 483 CA ARG A 33 -4.681 -19.992 3.607 1.00 0.00 C ATOM 484 C ARG A 33 -6.147 -20.268 3.986 1.00 0.00 C ATOM 485 O ARG A 33 -6.400 -20.843 5.044 1.00 0.00 O ATOM 486 CB ARG A 33 -3.772 -19.783 4.826 1.00 0.00 C ATOM 487 CG ARG A 33 -3.371 -21.134 5.446 1.00 0.00 C ATOM 488 CD ARG A 33 -3.732 -21.240 6.931 1.00 0.00 C ATOM 489 NE ARG A 33 -2.626 -21.838 7.695 1.00 0.00 N ATOM 490 CZ ARG A 33 -2.699 -22.380 8.903 1.00 0.00 C ATOM 491 NH1 ARG A 33 -3.835 -22.448 9.555 1.00 0.00 N ATOM 492 NH2 ARG A 33 -1.609 -22.831 9.476 1.00 0.00 N ATOM 0 H ARG A 33 -4.365 -17.967 3.174 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.374 -20.900 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.878 -19.234 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.287 -19.175 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.863 -21.939 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.297 -21.278 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.960 -20.250 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.631 -21.845 7.049 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.708 -21.835 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.688 -22.079 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.866 -22.870 10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.713 -22.763 8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.657 -23.249 10.405 1.00 0.00 H new ATOM 506 N GLN A 34 -7.107 -19.861 3.146 1.00 0.00 N ATOM 507 CA GLN A 34 -8.550 -19.969 3.393 1.00 0.00 C ATOM 508 C GLN A 34 -9.406 -19.820 2.115 1.00 0.00 C ATOM 509 O GLN A 34 -10.489 -19.225 2.129 1.00 0.00 O ATOM 510 CB GLN A 34 -8.950 -18.934 4.463 1.00 0.00 C ATOM 511 CG GLN A 34 -10.129 -19.445 5.309 1.00 0.00 C ATOM 512 CD GLN A 34 -9.791 -19.405 6.794 1.00 0.00 C ATOM 513 OE1 GLN A 34 -9.253 -20.327 7.377 1.00 0.00 O ATOM 514 NE2 GLN A 34 -10.066 -18.299 7.456 1.00 0.00 N ATOM 0 H GLN A 34 -6.893 -19.433 2.245 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.753 -20.977 3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.097 -18.725 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.223 -17.995 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.011 -18.835 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.377 -20.465 5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.517 -17.518 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.828 -18.224 8.445 1.00 0.00 H new ATOM 523 N ARG A 35 -8.924 -20.359 0.988 1.00 0.00 N ATOM 524 CA ARG A 35 -9.597 -20.348 -0.316 1.00 0.00 C ATOM 525 C ARG A 35 -9.365 -21.681 -1.023 1.00 0.00 C ATOM 526 O ARG A 35 -8.829 -22.603 -0.414 1.00 0.00 O ATOM 527 CB ARG A 35 -9.090 -19.146 -1.139 1.00 0.00 C ATOM 528 CG ARG A 35 -10.148 -18.554 -2.081 1.00 0.00 C ATOM 529 CD ARG A 35 -9.629 -18.400 -3.515 1.00 0.00 C ATOM 530 NE ARG A 35 -10.400 -17.369 -4.245 1.00 0.00 N ATOM 531 CZ ARG A 35 -10.173 -16.059 -4.226 1.00 0.00 C ATOM 532 NH1 ARG A 35 -9.157 -15.547 -3.584 1.00 0.00 N ATOM 533 NH2 ARG A 35 -10.975 -15.214 -4.829 1.00 0.00 N ATOM 0 H ARG A 35 -8.021 -20.832 0.959 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.674 -20.232 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.748 -18.368 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.226 -19.457 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.029 -19.195 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.463 -17.581 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.574 -18.127 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.703 -19.354 -4.038 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.179 -17.694 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.513 -16.156 -3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.008 -14.538 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.796 -15.557 -5.328 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.778 -14.214 -4.799 1.00 0.00 H new ATOM 547 N TYR A 36 -9.794 -21.784 -2.287 1.00 0.00 N ATOM 548 CA TYR A 36 -9.571 -22.910 -3.205 1.00 0.00 C ATOM 549 C TYR A 36 -9.934 -24.316 -2.634 1.00 0.00 C ATOM 550 O TYR A 36 -9.560 -25.355 -3.164 1.00 0.00 O ATOM 551 CB TYR A 36 -8.164 -22.798 -3.838 1.00 0.00 C ATOM 552 CG TYR A 36 -6.997 -23.172 -2.939 1.00 0.00 C ATOM 553 CD1 TYR A 36 -6.390 -22.212 -2.111 1.00 0.00 C ATOM 554 CD2 TYR A 36 -6.538 -24.508 -2.906 1.00 0.00 C ATOM 555 CE1 TYR A 36 -5.400 -22.595 -1.192 1.00 0.00 C ATOM 556 CE2 TYR A 36 -5.538 -24.895 -1.993 1.00 0.00 C ATOM 557 CZ TYR A 36 -4.994 -23.946 -1.106 1.00 0.00 C ATOM 558 OH TYR A 36 -4.094 -24.313 -0.154 1.00 0.00 O ATOM 0 H TYR A 36 -10.338 -21.040 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.299 -22.823 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.134 -23.434 -4.723 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.021 -21.772 -4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.686 -21.176 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.956 -25.236 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.947 -21.855 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.189 -25.917 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.918 -25.275 -0.224 1.00 0.00 H new HETATM 568 N NH2 A 37 -10.718 -24.377 -1.570 1.00 0.00 N TER 571 NH2 A 37