USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) 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= -0.108 X(o=-0.11,f=0) USER MOD Single : A 19 GLN : amide:sc=-0.00446 K(o=-0.0045,f=-0.88) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.053) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -87:sc= 0.936 USER MOD Single : A 34 GLN : amide:sc= -0.0908 X(o=-0.091,f=0) USER MOD Single : A 36 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -25.608 23.111 -12.616 1.00 0.00 N ATOM 2 CA TYR A 1 -26.517 21.998 -12.279 1.00 0.00 C ATOM 3 C TYR A 1 -26.261 21.513 -10.847 1.00 0.00 C ATOM 4 O TYR A 1 -25.434 20.622 -10.644 1.00 0.00 O ATOM 5 CB TYR A 1 -26.413 20.852 -13.303 1.00 0.00 C ATOM 6 CG TYR A 1 -27.436 20.920 -14.422 1.00 0.00 C ATOM 7 CD1 TYR A 1 -28.811 20.856 -14.100 1.00 0.00 C ATOM 8 CD2 TYR A 1 -27.031 20.976 -15.771 1.00 0.00 C ATOM 9 CE1 TYR A 1 -29.775 20.845 -15.126 1.00 0.00 C ATOM 10 CE2 TYR A 1 -28.000 20.953 -16.793 1.00 0.00 C ATOM 11 CZ TYR A 1 -29.370 20.876 -16.475 1.00 0.00 C ATOM 12 OH TYR A 1 -30.292 20.788 -17.470 1.00 0.00 O ATOM 0 H1 TYR A 1 -25.794 23.428 -13.589 1.00 0.00 H new ATOM 0 H2 TYR A 1 -25.767 23.900 -11.958 1.00 0.00 H new ATOM 0 H3 TYR A 1 -24.622 22.789 -12.539 1.00 0.00 H new ATOM 0 HA TYR A 1 -27.541 22.367 -12.328 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -25.414 20.859 -13.739 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -26.526 19.902 -12.780 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -29.122 20.816 -13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -25.982 21.036 -16.020 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -30.826 20.813 -14.879 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -27.691 20.995 -17.827 1.00 0.00 H new ATOM 0 HH TYR A 1 -29.840 20.826 -18.339 1.00 0.00 H new ATOM 24 N PRO A 2 -26.953 22.087 -9.834 1.00 0.00 N ATOM 25 CA PRO A 2 -26.821 21.680 -8.440 1.00 0.00 C ATOM 26 C PRO A 2 -27.564 20.355 -8.177 1.00 0.00 C ATOM 27 O PRO A 2 -28.727 20.339 -7.795 1.00 0.00 O ATOM 28 CB PRO A 2 -27.362 22.848 -7.609 1.00 0.00 C ATOM 29 CG PRO A 2 -28.318 23.587 -8.549 1.00 0.00 C ATOM 30 CD PRO A 2 -27.930 23.161 -9.963 1.00 0.00 C ATOM 0 HA PRO A 2 -25.785 21.476 -8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -27.879 22.493 -6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.556 23.500 -7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -29.355 23.328 -8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.228 24.666 -8.428 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -28.805 22.821 -10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -27.509 24.000 -10.516 1.00 0.00 H new ATOM 38 N SER A 3 -26.860 19.243 -8.417 1.00 0.00 N ATOM 39 CA SER A 3 -27.352 17.871 -8.216 1.00 0.00 C ATOM 40 C SER A 3 -26.197 16.894 -7.986 1.00 0.00 C ATOM 41 O SER A 3 -26.256 16.108 -7.057 1.00 0.00 O ATOM 42 CB SER A 3 -28.167 17.413 -9.440 1.00 0.00 C ATOM 43 OG SER A 3 -29.506 17.122 -9.089 1.00 0.00 O ATOM 0 H SER A 3 -25.902 19.272 -8.767 1.00 0.00 H new ATOM 0 HA SER A 3 -27.987 17.875 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.150 18.192 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.704 16.529 -9.877 1.00 0.00 H new ATOM 0 HG SER A 3 -29.998 16.836 -9.887 1.00 0.00 H new ATOM 49 N LYS A 4 -25.139 16.972 -8.800 1.00 0.00 N ATOM 50 CA LYS A 4 -23.951 16.114 -8.715 1.00 0.00 C ATOM 51 C LYS A 4 -22.698 16.976 -8.450 1.00 0.00 C ATOM 52 O LYS A 4 -22.033 17.374 -9.409 1.00 0.00 O ATOM 53 CB LYS A 4 -23.841 15.238 -9.980 1.00 0.00 C ATOM 54 CG LYS A 4 -23.112 13.918 -9.675 1.00 0.00 C ATOM 55 CD LYS A 4 -22.513 13.281 -10.946 1.00 0.00 C ATOM 56 CE LYS A 4 -21.009 13.594 -11.005 1.00 0.00 C ATOM 57 NZ LYS A 4 -20.496 13.817 -12.379 1.00 0.00 N ATOM 0 H LYS A 4 -25.083 17.653 -9.558 1.00 0.00 H new ATOM 0 HA LYS A 4 -24.039 15.428 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -24.837 15.026 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -23.305 15.782 -10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -22.317 14.102 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -23.808 13.218 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.673 12.203 -10.937 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -23.013 13.670 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.808 14.481 -10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.458 12.770 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.477 14.022 -12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.656 12.964 -12.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.995 14.621 -12.810 1.00 0.00 H new ATOM 71 N PRO A 5 -22.422 17.332 -7.178 1.00 0.00 N ATOM 72 CA PRO A 5 -21.248 18.118 -6.807 1.00 0.00 C ATOM 73 C PRO A 5 -19.945 17.318 -6.989 1.00 0.00 C ATOM 74 O PRO A 5 -19.977 16.117 -7.268 1.00 0.00 O ATOM 75 CB PRO A 5 -21.481 18.562 -5.361 1.00 0.00 C ATOM 76 CG PRO A 5 -22.514 17.592 -4.790 1.00 0.00 C ATOM 77 CD PRO A 5 -23.164 16.919 -5.997 1.00 0.00 C ATOM 0 HA PRO A 5 -21.124 18.986 -7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -20.555 18.529 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -21.844 19.589 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -22.042 16.856 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -23.256 18.119 -4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.142 15.835 -5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.211 17.210 -6.081 1.00 0.00 H new ATOM 85 N ASP A 6 -18.799 17.984 -6.841 1.00 0.00 N ATOM 86 CA ASP A 6 -17.490 17.331 -6.838 1.00 0.00 C ATOM 87 C ASP A 6 -17.114 16.817 -5.438 1.00 0.00 C ATOM 88 O ASP A 6 -17.779 17.120 -4.445 1.00 0.00 O ATOM 89 CB ASP A 6 -16.436 18.311 -7.381 1.00 0.00 C ATOM 90 CG ASP A 6 -16.118 19.440 -6.394 1.00 0.00 C ATOM 91 OD1 ASP A 6 -17.038 20.254 -6.148 1.00 0.00 O ATOM 92 OD2 ASP A 6 -14.972 19.457 -5.892 1.00 0.00 O ATOM 0 H ASP A 6 -18.753 18.996 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.531 16.456 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.521 17.765 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.793 18.741 -8.317 1.00 0.00 H new ATOM 97 N ASN A 7 -16.022 16.054 -5.351 1.00 0.00 N ATOM 98 CA ASN A 7 -15.478 15.559 -4.092 1.00 0.00 C ATOM 99 C ASN A 7 -13.945 15.714 -4.086 1.00 0.00 C ATOM 100 O ASN A 7 -13.301 15.349 -5.075 1.00 0.00 O ATOM 101 CB ASN A 7 -15.923 14.097 -3.879 1.00 0.00 C ATOM 102 CG ASN A 7 -16.596 13.900 -2.531 1.00 0.00 C ATOM 103 OD1 ASN A 7 -17.809 13.940 -2.386 1.00 0.00 O ATOM 104 ND2 ASN A 7 -15.832 13.666 -1.483 1.00 0.00 N ATOM 0 H ASN A 7 -15.486 15.760 -6.167 1.00 0.00 H new ATOM 0 HA ASN A 7 -15.863 16.146 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.610 13.807 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.057 13.440 -3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -16.255 13.521 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.818 13.630 -1.589 1.00 0.00 H new ATOM 111 N PRO A 8 -13.336 16.229 -2.999 1.00 0.00 N ATOM 112 CA PRO A 8 -11.884 16.347 -2.881 1.00 0.00 C ATOM 113 C PRO A 8 -11.242 14.973 -2.652 1.00 0.00 C ATOM 114 O PRO A 8 -11.297 14.433 -1.545 1.00 0.00 O ATOM 115 CB PRO A 8 -11.634 17.323 -1.727 1.00 0.00 C ATOM 116 CG PRO A 8 -12.909 17.299 -0.890 1.00 0.00 C ATOM 117 CD PRO A 8 -13.993 16.730 -1.804 1.00 0.00 C ATOM 0 HA PRO A 8 -11.426 16.725 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.770 17.019 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.428 18.326 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.782 16.681 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.171 18.300 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.537 15.930 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.721 17.499 -2.061 1.00 0.00 H new ATOM 125 N GLY A 9 -10.644 14.414 -3.708 1.00 0.00 N ATOM 126 CA GLY A 9 -10.015 13.094 -3.710 1.00 0.00 C ATOM 127 C GLY A 9 -10.949 12.027 -4.275 1.00 0.00 C ATOM 128 O GLY A 9 -11.995 11.745 -3.691 1.00 0.00 O ATOM 0 H GLY A 9 -10.583 14.883 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.100 13.127 -4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.728 12.826 -2.693 1.00 0.00 H new ATOM 132 N GLU A 10 -10.569 11.416 -5.401 1.00 0.00 N ATOM 133 CA GLU A 10 -11.324 10.310 -6.004 1.00 0.00 C ATOM 134 C GLU A 10 -11.259 9.017 -5.178 1.00 0.00 C ATOM 135 O GLU A 10 -12.218 8.242 -5.179 1.00 0.00 O ATOM 136 CB GLU A 10 -10.810 10.081 -7.438 1.00 0.00 C ATOM 137 CG GLU A 10 -11.436 11.102 -8.415 1.00 0.00 C ATOM 138 CD GLU A 10 -10.420 11.789 -9.338 1.00 0.00 C ATOM 139 OE1 GLU A 10 -9.403 12.274 -8.791 1.00 0.00 O ATOM 140 OE2 GLU A 10 -10.690 11.880 -10.561 1.00 0.00 O ATOM 0 H GLU A 10 -9.730 11.673 -5.921 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.377 10.591 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.724 10.170 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.053 9.068 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.181 10.594 -9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.962 11.864 -7.840 1.00 0.00 H new ATOM 147 N ASP A 11 -10.159 8.803 -4.453 1.00 0.00 N ATOM 148 CA ASP A 11 -9.879 7.656 -3.598 1.00 0.00 C ATOM 149 C ASP A 11 -8.627 8.008 -2.791 1.00 0.00 C ATOM 150 O ASP A 11 -7.537 8.004 -3.355 1.00 0.00 O ATOM 151 CB ASP A 11 -9.649 6.399 -4.462 1.00 0.00 C ATOM 152 CG ASP A 11 -9.568 5.098 -3.655 1.00 0.00 C ATOM 153 OD1 ASP A 11 -8.455 4.770 -3.185 1.00 0.00 O ATOM 154 OD2 ASP A 11 -10.591 4.396 -3.603 1.00 0.00 O ATOM 0 H ASP A 11 -9.391 9.474 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.713 7.439 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.458 6.315 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.725 6.523 -5.028 1.00 0.00 H new ATOM 159 N ALA A 12 -8.784 8.383 -1.508 1.00 0.00 N ATOM 160 CA ALA A 12 -7.658 8.618 -0.604 1.00 0.00 C ATOM 161 C ALA A 12 -6.603 9.610 -1.170 1.00 0.00 C ATOM 162 O ALA A 12 -5.558 9.185 -1.683 1.00 0.00 O ATOM 163 CB ALA A 12 -7.083 7.241 -0.245 1.00 0.00 C ATOM 0 H ALA A 12 -9.696 8.530 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.000 9.124 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.237 7.365 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.852 6.642 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.751 6.737 -1.153 1.00 0.00 H new ATOM 169 N PRO A 13 -6.836 10.941 -1.076 1.00 0.00 N ATOM 170 CA PRO A 13 -5.961 11.966 -1.640 1.00 0.00 C ATOM 171 C PRO A 13 -4.649 12.085 -0.843 1.00 0.00 C ATOM 172 O PRO A 13 -4.433 13.045 -0.107 1.00 0.00 O ATOM 173 CB PRO A 13 -6.787 13.258 -1.672 1.00 0.00 C ATOM 174 CG PRO A 13 -7.796 13.082 -0.537 1.00 0.00 C ATOM 175 CD PRO A 13 -7.933 11.566 -0.346 1.00 0.00 C ATOM 0 HA PRO A 13 -5.635 11.717 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.160 14.136 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.286 13.389 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.447 13.563 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.755 13.534 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.890 11.306 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.894 11.216 -0.721 1.00 0.00 H new ATOM 183 N ALA A 14 -3.777 11.088 -1.027 1.00 0.00 N ATOM 184 CA ALA A 14 -2.459 10.923 -0.421 1.00 0.00 C ATOM 185 C ALA A 14 -2.527 10.548 1.080 1.00 0.00 C ATOM 186 O ALA A 14 -1.716 11.041 1.853 1.00 0.00 O ATOM 187 CB ALA A 14 -1.589 12.154 -0.729 1.00 0.00 C ATOM 0 H ALA A 14 -3.996 10.315 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.970 10.062 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.606 12.028 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.479 12.261 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.064 13.047 -0.322 1.00 0.00 H new ATOM 193 N GLU A 15 -3.477 9.694 1.494 1.00 0.00 N ATOM 194 CA GLU A 15 -3.692 9.274 2.877 1.00 0.00 C ATOM 195 C GLU A 15 -4.742 8.174 2.889 1.00 0.00 C ATOM 196 O GLU A 15 -5.675 8.223 2.102 1.00 0.00 O ATOM 197 CB GLU A 15 -4.190 10.464 3.719 1.00 0.00 C ATOM 198 CG GLU A 15 -3.462 10.589 5.063 1.00 0.00 C ATOM 199 CD GLU A 15 -1.948 10.801 4.911 1.00 0.00 C ATOM 200 OE1 GLU A 15 -1.250 9.766 4.802 1.00 0.00 O ATOM 201 OE2 GLU A 15 -1.523 11.976 4.930 1.00 0.00 O ATOM 0 H GLU A 15 -4.138 9.265 0.846 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.756 8.910 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.056 11.385 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.259 10.353 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.885 11.423 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.640 9.688 5.651 1.00 0.00 H new ATOM 208 N ASP A 16 -4.593 7.182 3.774 1.00 0.00 N ATOM 209 CA ASP A 16 -5.429 5.979 3.965 1.00 0.00 C ATOM 210 C ASP A 16 -5.012 4.865 2.990 1.00 0.00 C ATOM 211 O ASP A 16 -4.835 3.717 3.394 1.00 0.00 O ATOM 212 CB ASP A 16 -6.932 6.307 3.835 1.00 0.00 C ATOM 213 CG ASP A 16 -7.901 5.332 4.532 1.00 0.00 C ATOM 214 OD1 ASP A 16 -7.439 4.283 5.027 1.00 0.00 O ATOM 215 OD2 ASP A 16 -9.103 5.671 4.567 1.00 0.00 O ATOM 0 H ASP A 16 -3.817 7.197 4.436 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.265 5.617 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.101 7.306 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.185 6.343 2.775 1.00 0.00 H new ATOM 220 N LEU A 17 -4.748 5.214 1.709 1.00 0.00 N ATOM 221 CA LEU A 17 -4.280 4.306 0.642 1.00 0.00 C ATOM 222 C LEU A 17 -3.086 3.411 1.054 1.00 0.00 C ATOM 223 O LEU A 17 -2.915 2.297 0.555 1.00 0.00 O ATOM 224 CB LEU A 17 -3.997 5.107 -0.652 1.00 0.00 C ATOM 225 CG LEU A 17 -2.563 5.581 -0.969 1.00 0.00 C ATOM 226 CD1 LEU A 17 -1.891 6.356 0.181 1.00 0.00 C ATOM 227 CD2 LEU A 17 -1.684 4.432 -1.498 1.00 0.00 C ATOM 0 H LEU A 17 -4.860 6.173 1.381 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.090 3.602 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.329 4.495 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.633 5.992 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.666 6.309 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.887 6.655 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.479 7.244 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.831 5.719 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.683 4.807 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.625 3.644 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.121 4.031 -2.412 1.00 0.00 H new ATOM 239 N ALA A 18 -2.297 3.893 2.016 1.00 0.00 N ATOM 240 CA ALA A 18 -1.211 3.193 2.677 1.00 0.00 C ATOM 241 C ALA A 18 -1.743 1.951 3.410 1.00 0.00 C ATOM 242 O ALA A 18 -1.317 0.829 3.139 1.00 0.00 O ATOM 243 CB ALA A 18 -0.521 4.187 3.629 1.00 0.00 C ATOM 0 H ALA A 18 -2.412 4.842 2.371 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.480 2.831 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.302 3.689 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.134 5.030 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.241 4.547 4.364 1.00 0.00 H new ATOM 249 N GLN A 19 -2.707 2.151 4.311 1.00 0.00 N ATOM 250 CA GLN A 19 -3.357 1.071 5.061 1.00 0.00 C ATOM 251 C GLN A 19 -4.248 0.203 4.175 1.00 0.00 C ATOM 252 O GLN A 19 -4.354 -0.992 4.428 1.00 0.00 O ATOM 253 CB GLN A 19 -4.148 1.642 6.250 1.00 0.00 C ATOM 254 CG GLN A 19 -3.703 0.954 7.543 1.00 0.00 C ATOM 255 CD GLN A 19 -4.051 1.732 8.814 1.00 0.00 C ATOM 256 OE1 GLN A 19 -4.376 2.909 8.817 1.00 0.00 O ATOM 257 NE2 GLN A 19 -3.937 1.110 9.971 1.00 0.00 N ATOM 0 H GLN A 19 -3.063 3.078 4.544 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.569 0.422 5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.986 2.717 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.216 1.491 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.165 -0.032 7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.625 0.800 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.667 0.127 9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.119 1.612 10.840 1.00 0.00 H new ATOM 266 N TYR A 20 -4.815 0.757 3.097 1.00 0.00 N ATOM 267 CA TYR A 20 -5.497 -0.009 2.052 1.00 0.00 C ATOM 268 C TYR A 20 -4.576 -1.112 1.514 1.00 0.00 C ATOM 269 O TYR A 20 -4.952 -2.288 1.545 1.00 0.00 O ATOM 270 CB TYR A 20 -5.927 0.948 0.931 1.00 0.00 C ATOM 271 CG TYR A 20 -7.336 1.491 1.040 1.00 0.00 C ATOM 272 CD1 TYR A 20 -8.418 0.713 0.597 1.00 0.00 C ATOM 273 CD2 TYR A 20 -7.564 2.782 1.551 1.00 0.00 C ATOM 274 CE1 TYR A 20 -9.726 1.222 0.682 1.00 0.00 C ATOM 275 CE2 TYR A 20 -8.869 3.302 1.631 1.00 0.00 C ATOM 276 CZ TYR A 20 -9.952 2.519 1.200 1.00 0.00 C ATOM 277 OH TYR A 20 -11.216 2.999 1.315 1.00 0.00 O ATOM 0 H TYR A 20 -4.812 1.762 2.925 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.383 -0.491 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.233 1.789 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.829 0.429 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.246 -0.273 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.729 3.380 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.560 0.621 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.036 4.295 2.021 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.189 3.904 1.690 1.00 0.00 H new ATOM 287 N ALA A 21 -3.356 -0.753 1.095 1.00 0.00 N ATOM 288 CA ALA A 21 -2.384 -1.739 0.632 1.00 0.00 C ATOM 289 C ALA A 21 -2.025 -2.782 1.707 1.00 0.00 C ATOM 290 O ALA A 21 -1.777 -3.928 1.347 1.00 0.00 O ATOM 291 CB ALA A 21 -1.137 -1.024 0.088 1.00 0.00 C ATOM 0 H ALA A 21 -3.024 0.211 1.069 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.847 -2.305 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.414 -1.764 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.421 -0.380 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.690 -0.421 0.878 1.00 0.00 H new ATOM 297 N ALA A 22 -2.062 -2.422 2.998 1.00 0.00 N ATOM 298 CA ALA A 22 -1.829 -3.317 4.137 1.00 0.00 C ATOM 299 C ALA A 22 -3.006 -4.271 4.380 1.00 0.00 C ATOM 300 O ALA A 22 -2.777 -5.472 4.496 1.00 0.00 O ATOM 301 CB ALA A 22 -1.528 -2.504 5.403 1.00 0.00 C ATOM 0 H ALA A 22 -2.262 -1.464 3.286 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.963 -3.932 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.358 -3.182 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.638 -1.896 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.375 -1.855 5.629 1.00 0.00 H new ATOM 307 N ASP A 23 -4.236 -3.762 4.422 1.00 0.00 N ATOM 308 CA ASP A 23 -5.435 -4.592 4.574 1.00 0.00 C ATOM 309 C ASP A 23 -5.497 -5.621 3.445 1.00 0.00 C ATOM 310 O ASP A 23 -5.642 -6.816 3.721 1.00 0.00 O ATOM 311 CB ASP A 23 -6.720 -3.738 4.604 1.00 0.00 C ATOM 312 CG ASP A 23 -7.655 -4.195 5.730 1.00 0.00 C ATOM 313 OD1 ASP A 23 -7.297 -3.981 6.911 1.00 0.00 O ATOM 314 OD2 ASP A 23 -8.695 -4.810 5.411 1.00 0.00 O ATOM 0 H ASP A 23 -4.432 -2.763 4.352 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.371 -5.111 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.461 -2.689 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.234 -3.814 3.646 1.00 0.00 H new ATOM 319 N LEU A 24 -5.304 -5.183 2.205 1.00 0.00 N ATOM 320 CA LEU A 24 -5.228 -6.066 1.041 1.00 0.00 C ATOM 321 C LEU A 24 -4.076 -7.071 1.175 1.00 0.00 C ATOM 322 O LEU A 24 -4.273 -8.253 0.906 1.00 0.00 O ATOM 323 CB LEU A 24 -5.141 -5.217 -0.243 1.00 0.00 C ATOM 324 CG LEU A 24 -6.532 -4.669 -0.656 1.00 0.00 C ATOM 325 CD1 LEU A 24 -6.541 -3.158 -0.925 1.00 0.00 C ATOM 326 CD2 LEU A 24 -7.082 -5.404 -1.889 1.00 0.00 C ATOM 0 H LEU A 24 -5.195 -4.195 1.975 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.136 -6.666 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.453 -4.386 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.731 -5.821 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.176 -4.854 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.546 -2.845 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.236 -2.626 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.847 -2.928 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.058 -4.995 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.397 -5.273 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.182 -6.466 -1.665 1.00 0.00 H new ATOM 338 N ARG A 25 -2.896 -6.633 1.645 1.00 0.00 N ATOM 339 CA ARG A 25 -1.739 -7.496 1.945 1.00 0.00 C ATOM 340 C ARG A 25 -2.037 -8.555 3.011 1.00 0.00 C ATOM 341 O ARG A 25 -1.504 -9.659 2.909 1.00 0.00 O ATOM 342 CB ARG A 25 -0.545 -6.635 2.396 1.00 0.00 C ATOM 343 CG ARG A 25 0.529 -6.497 1.306 1.00 0.00 C ATOM 344 CD ARG A 25 1.761 -7.340 1.664 1.00 0.00 C ATOM 345 NE ARG A 25 2.295 -8.069 0.506 1.00 0.00 N ATOM 346 CZ ARG A 25 3.429 -8.755 0.478 1.00 0.00 C ATOM 347 NH1 ARG A 25 4.226 -8.816 1.521 1.00 0.00 N ATOM 348 NH2 ARG A 25 3.779 -9.403 -0.607 1.00 0.00 N ATOM 0 H ARG A 25 -2.715 -5.647 1.831 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.500 -8.028 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.902 -5.644 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.099 -7.077 3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.126 -6.819 0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.815 -5.451 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.537 -6.691 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.497 -8.051 2.447 1.00 0.00 H new ATOM 0 HE ARG A 25 1.745 -8.045 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.978 -8.328 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.092 -9.352 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.178 -9.380 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.652 -9.930 -0.627 1.00 0.00 H new ATOM 362 N HIS A 26 -2.841 -8.218 4.004 1.00 0.00 N ATOM 363 CA HIS A 26 -3.261 -9.139 5.054 1.00 0.00 C ATOM 364 C HIS A 26 -4.326 -10.101 4.523 1.00 0.00 C ATOM 365 O HIS A 26 -4.159 -11.313 4.631 1.00 0.00 O ATOM 366 CB HIS A 26 -3.754 -8.340 6.264 1.00 0.00 C ATOM 367 CG HIS A 26 -3.845 -9.196 7.493 1.00 0.00 C ATOM 368 ND1 HIS A 26 -2.808 -9.510 8.343 1.00 0.00 N ATOM 369 CD2 HIS A 26 -4.964 -9.836 7.948 1.00 0.00 C ATOM 370 CE1 HIS A 26 -3.296 -10.327 9.290 1.00 0.00 C ATOM 371 NE2 HIS A 26 -4.603 -10.555 9.089 1.00 0.00 N ATOM 0 H HIS A 26 -3.229 -7.280 4.108 1.00 0.00 H new ATOM 0 HA HIS A 26 -2.415 -9.747 5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.077 -7.506 6.450 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.733 -7.913 6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.948 -9.793 7.505 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.717 -10.743 10.101 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.214 -11.140 9.659 1.00 0.00 H new ATOM 378 N TYR A 27 -5.380 -9.571 3.888 1.00 0.00 N ATOM 379 CA TYR A 27 -6.433 -10.340 3.233 1.00 0.00 C ATOM 380 C TYR A 27 -5.883 -11.367 2.260 1.00 0.00 C ATOM 381 O TYR A 27 -6.306 -12.512 2.307 1.00 0.00 O ATOM 382 CB TYR A 27 -7.424 -9.427 2.499 1.00 0.00 C ATOM 383 CG TYR A 27 -8.828 -9.478 3.061 1.00 0.00 C ATOM 384 CD1 TYR A 27 -9.082 -8.944 4.336 1.00 0.00 C ATOM 385 CD2 TYR A 27 -9.872 -10.027 2.294 1.00 0.00 C ATOM 386 CE1 TYR A 27 -10.396 -8.933 4.841 1.00 0.00 C ATOM 387 CE2 TYR A 27 -11.191 -10.001 2.787 1.00 0.00 C ATOM 388 CZ TYR A 27 -11.457 -9.444 4.063 1.00 0.00 C ATOM 389 OH TYR A 27 -12.734 -9.335 4.508 1.00 0.00 O ATOM 0 H TYR A 27 -5.523 -8.564 3.817 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.954 -10.870 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.061 -8.400 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.453 -9.709 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.271 -8.543 4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.663 -10.467 1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.592 -8.533 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.998 -10.405 2.194 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.344 -9.736 3.854 1.00 0.00 H new ATOM 399 N ILE A 28 -4.935 -11.000 1.391 1.00 0.00 N ATOM 400 CA ILE A 28 -4.296 -11.953 0.476 1.00 0.00 C ATOM 401 C ILE A 28 -3.644 -13.100 1.267 1.00 0.00 C ATOM 402 O ILE A 28 -3.900 -14.275 1.003 1.00 0.00 O ATOM 403 CB ILE A 28 -3.347 -11.204 -0.481 1.00 0.00 C ATOM 404 CG1 ILE A 28 -3.705 -11.491 -1.953 1.00 0.00 C ATOM 405 CG2 ILE A 28 -1.843 -11.393 -0.208 1.00 0.00 C ATOM 406 CD1 ILE A 28 -3.113 -10.442 -2.907 1.00 0.00 C ATOM 0 H ILE A 28 -4.591 -10.044 1.302 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.040 -12.433 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.518 -10.148 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.338 -12.479 -2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.789 -11.511 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.266 -10.824 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.608 -11.039 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.589 -12.450 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.391 -10.685 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.501 -9.456 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.027 -10.440 -2.816 1.00 0.00 H new ATOM 417 N ASN A 29 -2.856 -12.768 2.295 1.00 0.00 N ATOM 418 CA ASN A 29 -2.201 -13.734 3.179 1.00 0.00 C ATOM 419 C ASN A 29 -3.205 -14.577 3.993 1.00 0.00 C ATOM 420 O ASN A 29 -2.881 -15.680 4.421 1.00 0.00 O ATOM 421 CB ASN A 29 -1.233 -12.995 4.117 1.00 0.00 C ATOM 422 CG ASN A 29 0.177 -13.525 3.986 1.00 0.00 C ATOM 423 OD1 ASN A 29 0.514 -14.600 4.444 1.00 0.00 O ATOM 424 ND2 ASN A 29 1.047 -12.779 3.349 1.00 0.00 N ATOM 0 H ASN A 29 -2.652 -11.799 2.540 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.650 -14.433 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.245 -11.929 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.569 -13.104 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.009 -13.100 3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.762 -11.878 2.966 1.00 0.00 H new ATOM 431 N LEU A 30 -4.422 -14.067 4.173 1.00 0.00 N ATOM 432 CA LEU A 30 -5.539 -14.799 4.749 1.00 0.00 C ATOM 433 C LEU A 30 -6.197 -15.701 3.712 1.00 0.00 C ATOM 434 O LEU A 30 -6.187 -16.911 3.891 1.00 0.00 O ATOM 435 CB LEU A 30 -6.544 -13.839 5.396 1.00 0.00 C ATOM 436 CG LEU A 30 -6.138 -13.447 6.824 1.00 0.00 C ATOM 437 CD1 LEU A 30 -7.099 -12.366 7.322 1.00 0.00 C ATOM 438 CD2 LEU A 30 -6.192 -14.645 7.799 1.00 0.00 C ATOM 0 H LEU A 30 -4.660 -13.109 3.915 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.154 -15.446 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.630 -12.940 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.529 -14.306 5.416 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.109 -13.088 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.825 -12.075 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.040 -11.497 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.117 -12.755 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.896 -14.317 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.207 -15.041 7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.511 -15.424 7.457 1.00 0.00 H new ATOM 450 N ILE A 31 -6.757 -15.156 2.636 1.00 0.00 N ATOM 451 CA ILE A 31 -7.414 -15.893 1.556 1.00 0.00 C ATOM 452 C ILE A 31 -6.535 -17.053 1.067 1.00 0.00 C ATOM 453 O ILE A 31 -7.001 -18.178 0.940 1.00 0.00 O ATOM 454 CB ILE A 31 -7.838 -14.928 0.430 1.00 0.00 C ATOM 455 CG1 ILE A 31 -8.902 -13.900 0.900 1.00 0.00 C ATOM 456 CG2 ILE A 31 -8.373 -15.727 -0.762 1.00 0.00 C ATOM 457 CD1 ILE A 31 -10.313 -14.449 1.135 1.00 0.00 C ATOM 0 H ILE A 31 -6.767 -14.147 2.485 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.328 -16.350 1.936 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.954 -14.363 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.553 -13.444 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.963 -13.105 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.671 -15.041 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.594 -16.393 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.235 -16.316 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -10.968 -13.641 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.696 -14.876 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.280 -15.221 1.904 1.00 0.00 H new ATOM 468 N THR A 32 -5.231 -16.815 0.866 1.00 0.00 N ATOM 469 CA THR A 32 -4.248 -17.856 0.523 1.00 0.00 C ATOM 470 C THR A 32 -4.277 -19.061 1.489 1.00 0.00 C ATOM 471 O THR A 32 -4.288 -20.200 1.018 1.00 0.00 O ATOM 472 CB THR A 32 -2.838 -17.252 0.442 1.00 0.00 C ATOM 473 OG1 THR A 32 -2.615 -16.459 1.570 1.00 0.00 O ATOM 474 CG2 THR A 32 -2.645 -16.321 -0.760 1.00 0.00 C ATOM 0 H THR A 32 -4.823 -15.883 0.938 1.00 0.00 H new ATOM 0 HA THR A 32 -4.529 -18.245 -0.456 1.00 0.00 H new ATOM 0 HB THR A 32 -2.155 -18.097 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.939 -15.550 1.400 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.628 -15.929 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.817 -16.877 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.353 -15.494 -0.697 1.00 0.00 H new ATOM 482 N ARG A 33 -4.377 -18.850 2.814 1.00 0.00 N ATOM 483 CA ARG A 33 -4.526 -19.913 3.830 1.00 0.00 C ATOM 484 C ARG A 33 -5.959 -20.470 3.976 1.00 0.00 C ATOM 485 O ARG A 33 -6.259 -21.068 5.012 1.00 0.00 O ATOM 486 CB ARG A 33 -3.927 -19.473 5.192 1.00 0.00 C ATOM 487 CG ARG A 33 -4.717 -18.357 5.888 1.00 0.00 C ATOM 488 CD ARG A 33 -4.600 -18.284 7.421 1.00 0.00 C ATOM 489 NE ARG A 33 -5.927 -18.174 8.064 1.00 0.00 N ATOM 490 CZ ARG A 33 -6.811 -19.154 8.241 1.00 0.00 C ATOM 491 NH1 ARG A 33 -6.590 -20.373 7.810 1.00 0.00 N ATOM 492 NH2 ARG A 33 -7.953 -18.921 8.836 1.00 0.00 N ATOM 0 H ARG A 33 -4.356 -17.914 3.220 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.946 -20.757 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.880 -20.338 5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.902 -19.136 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.393 -17.402 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.770 -18.474 5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.089 -19.173 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.988 -17.426 7.699 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.193 -17.251 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.721 -20.592 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.287 -21.102 7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.172 -17.982 9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.624 -19.678 8.967 1.00 0.00 H new ATOM 506 N GLN A 34 -6.846 -20.245 2.996 1.00 0.00 N ATOM 507 CA GLN A 34 -8.267 -20.653 3.008 1.00 0.00 C ATOM 508 C GLN A 34 -8.893 -20.724 1.599 1.00 0.00 C ATOM 509 O GLN A 34 -10.080 -20.444 1.429 1.00 0.00 O ATOM 510 CB GLN A 34 -9.083 -19.746 3.961 1.00 0.00 C ATOM 511 CG GLN A 34 -9.081 -18.268 3.545 1.00 0.00 C ATOM 512 CD GLN A 34 -9.352 -17.292 4.685 1.00 0.00 C ATOM 513 OE1 GLN A 34 -10.233 -16.450 4.631 1.00 0.00 O ATOM 514 NE2 GLN A 34 -8.572 -17.342 5.748 1.00 0.00 N ATOM 0 H GLN A 34 -6.588 -19.756 2.139 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.303 -21.673 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.112 -20.104 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.678 -19.833 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.115 -18.030 3.101 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.833 -18.120 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.832 -18.041 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.709 -16.681 6.513 1.00 0.00 H new ATOM 523 N ARG A 35 -8.103 -21.105 0.583 1.00 0.00 N ATOM 524 CA ARG A 35 -8.556 -21.195 -0.811 1.00 0.00 C ATOM 525 C ARG A 35 -8.004 -22.451 -1.495 1.00 0.00 C ATOM 526 O ARG A 35 -7.970 -23.506 -0.874 1.00 0.00 O ATOM 527 CB ARG A 35 -8.226 -19.865 -1.517 1.00 0.00 C ATOM 528 CG ARG A 35 -9.177 -19.563 -2.689 1.00 0.00 C ATOM 529 CD ARG A 35 -9.697 -18.131 -2.554 1.00 0.00 C ATOM 530 NE ARG A 35 -10.660 -17.782 -3.603 1.00 0.00 N ATOM 531 CZ ARG A 35 -10.363 -17.480 -4.860 1.00 0.00 C ATOM 532 NH1 ARG A 35 -9.122 -17.455 -5.297 1.00 0.00 N ATOM 533 NH2 ARG A 35 -11.319 -17.194 -5.706 1.00 0.00 N ATOM 0 H ARG A 35 -7.124 -21.361 0.709 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.637 -21.323 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.278 -19.052 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.201 -19.899 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.655 -19.686 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.009 -20.267 -2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.167 -18.009 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.857 -17.438 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.646 -17.770 -3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.353 -17.672 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.929 -17.219 -6.270 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.292 -17.203 -5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.092 -16.962 -6.673 1.00 0.00 H new ATOM 547 N TYR A 36 -7.569 -22.318 -2.754 1.00 0.00 N ATOM 548 CA TYR A 36 -6.858 -23.307 -3.568 1.00 0.00 C ATOM 549 C TYR A 36 -5.843 -24.148 -2.767 1.00 0.00 C ATOM 550 O TYR A 36 -5.721 -25.348 -2.963 1.00 0.00 O ATOM 551 CB TYR A 36 -6.175 -22.566 -4.730 1.00 0.00 C ATOM 552 CG TYR A 36 -5.080 -21.593 -4.301 1.00 0.00 C ATOM 553 CD1 TYR A 36 -3.757 -22.056 -4.142 1.00 0.00 C ATOM 554 CD2 TYR A 36 -5.384 -20.246 -4.007 1.00 0.00 C ATOM 555 CE1 TYR A 36 -2.762 -21.207 -3.640 1.00 0.00 C ATOM 556 CE2 TYR A 36 -4.386 -19.385 -3.511 1.00 0.00 C ATOM 557 CZ TYR A 36 -3.070 -19.867 -3.323 1.00 0.00 C ATOM 558 OH TYR A 36 -2.102 -19.058 -2.826 1.00 0.00 O ATOM 0 H TYR A 36 -7.717 -21.449 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.584 -24.027 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.745 -23.301 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.932 -22.018 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.509 -23.073 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.386 -19.874 -4.163 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.758 -21.579 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.625 -18.359 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.083 -18.220 -3.334 1.00 0.00 H new HETATM 568 N NH2 A 37 -5.116 -23.563 -1.826 1.00 0.00 N TER 571 NH2 A 37