USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 MET CE :methyl -123:sc= -0.0137 (180deg=-1.53) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.245 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -4.07! C(o=-5.8!,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 68:sc= 0.195 USER MOD Single : A 50 SER OG : rot 33:sc= 1.07 USER MOD Single : A 53 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-3.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 60 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.6!) USER MOD Single : A 61 ASN : amide:sc= -2.75 K(o=-2.7,f=-3.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.23 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.391 -42.017 4.036 1.00 0.00 N ATOM 2 CA GLY A 1 20.663 -41.748 2.810 1.00 0.00 C ATOM 3 C GLY A 1 19.619 -40.664 2.982 1.00 0.00 C ATOM 4 O GLY A 1 18.431 -40.954 3.129 1.00 0.00 O ATOM 0 H1 GLY A 1 22.093 -42.765 3.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.876 -41.152 4.349 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.726 -42.327 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.366 -41.451 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.179 -42.664 2.470 1.00 0.00 H new ATOM 8 N SER A 2 20.061 -39.411 2.967 1.00 0.00 N ATOM 9 CA SER A 2 19.156 -38.279 3.128 1.00 0.00 C ATOM 10 C SER A 2 18.038 -38.324 2.092 1.00 0.00 C ATOM 11 O SER A 2 18.245 -37.995 0.924 1.00 0.00 O ATOM 12 CB SER A 2 19.926 -36.962 3.006 1.00 0.00 C ATOM 13 OG SER A 2 19.043 -35.869 2.830 1.00 0.00 O ATOM 0 H SER A 2 21.040 -39.154 2.845 1.00 0.00 H new ATOM 0 HA SER A 2 18.710 -38.341 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.529 -36.806 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.615 -37.017 2.163 1.00 0.00 H new ATOM 0 HG SER A 2 19.560 -35.040 2.756 1.00 0.00 H new ATOM 19 N SER A 3 16.852 -38.737 2.528 1.00 0.00 N ATOM 20 CA SER A 3 15.701 -38.831 1.638 1.00 0.00 C ATOM 21 C SER A 3 15.254 -37.446 1.181 1.00 0.00 C ATOM 22 O SER A 3 15.211 -37.159 -0.015 1.00 0.00 O ATOM 23 CB SER A 3 14.544 -39.545 2.340 1.00 0.00 C ATOM 24 OG SER A 3 13.537 -39.915 1.414 1.00 0.00 O ATOM 0 H SER A 3 16.663 -39.012 3.492 1.00 0.00 H new ATOM 0 HA SER A 3 15.997 -39.407 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.917 -40.433 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.119 -38.893 3.103 1.00 0.00 H new ATOM 0 HG SER A 3 12.810 -40.371 1.887 1.00 0.00 H new ATOM 30 N GLY A 4 14.922 -36.590 2.142 1.00 0.00 N ATOM 31 CA GLY A 4 14.483 -35.245 1.818 1.00 0.00 C ATOM 32 C GLY A 4 13.011 -35.028 2.114 1.00 0.00 C ATOM 33 O GLY A 4 12.527 -35.395 3.185 1.00 0.00 O ATOM 0 H GLY A 4 14.949 -36.804 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.074 -34.527 2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.671 -35.049 0.762 1.00 0.00 H new ATOM 37 N SER A 5 12.300 -34.430 1.163 1.00 0.00 N ATOM 38 CA SER A 5 10.877 -34.161 1.329 1.00 0.00 C ATOM 39 C SER A 5 10.065 -34.825 0.222 1.00 0.00 C ATOM 40 O SER A 5 10.578 -35.086 -0.866 1.00 0.00 O ATOM 41 CB SER A 5 10.618 -32.653 1.333 1.00 0.00 C ATOM 42 OG SER A 5 11.135 -32.050 2.506 1.00 0.00 O ATOM 0 H SER A 5 12.686 -34.123 0.270 1.00 0.00 H new ATOM 0 HA SER A 5 10.563 -34.579 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.077 -32.200 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.547 -32.465 1.265 1.00 0.00 H new ATOM 0 HG SER A 5 10.958 -31.086 2.484 1.00 0.00 H new ATOM 48 N SER A 6 8.796 -35.096 0.508 1.00 0.00 N ATOM 49 CA SER A 6 7.913 -35.733 -0.461 1.00 0.00 C ATOM 50 C SER A 6 6.689 -34.865 -0.735 1.00 0.00 C ATOM 51 O SER A 6 6.045 -34.370 0.191 1.00 0.00 O ATOM 52 CB SER A 6 7.474 -37.109 0.044 1.00 0.00 C ATOM 53 OG SER A 6 6.539 -36.989 1.102 1.00 0.00 O ATOM 0 H SER A 6 8.356 -34.884 1.404 1.00 0.00 H new ATOM 0 HA SER A 6 8.466 -35.855 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.031 -37.676 -0.775 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.344 -37.669 0.385 1.00 0.00 H new ATOM 0 HG SER A 6 6.228 -36.061 1.160 1.00 0.00 H new ATOM 59 N GLY A 7 6.373 -34.683 -2.013 1.00 0.00 N ATOM 60 CA GLY A 7 5.227 -33.874 -2.386 1.00 0.00 C ATOM 61 C GLY A 7 5.487 -32.390 -2.224 1.00 0.00 C ATOM 62 O GLY A 7 5.331 -31.843 -1.133 1.00 0.00 O ATOM 0 H GLY A 7 6.890 -35.081 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.961 -34.082 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.371 -34.159 -1.774 1.00 0.00 H new ATOM 66 N GLU A 8 5.887 -31.738 -3.311 1.00 0.00 N ATOM 67 CA GLU A 8 6.172 -30.308 -3.282 1.00 0.00 C ATOM 68 C GLU A 8 4.883 -29.494 -3.360 1.00 0.00 C ATOM 69 O GLU A 8 4.074 -29.680 -4.270 1.00 0.00 O ATOM 70 CB GLU A 8 7.100 -29.927 -4.437 1.00 0.00 C ATOM 71 CG GLU A 8 7.746 -28.561 -4.274 1.00 0.00 C ATOM 72 CD GLU A 8 8.640 -28.482 -3.051 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.762 -29.029 -3.100 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.218 -27.873 -2.045 1.00 0.00 O ATOM 0 H GLU A 8 6.021 -32.177 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 8 6.667 -30.081 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.882 -30.681 -4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.533 -29.943 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.332 -28.332 -5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.968 -27.801 -4.201 1.00 0.00 H new ATOM 81 N ASP A 9 4.700 -28.594 -2.401 1.00 0.00 N ATOM 82 CA ASP A 9 3.510 -27.751 -2.360 1.00 0.00 C ATOM 83 C ASP A 9 3.809 -26.362 -2.916 1.00 0.00 C ATOM 84 O ASP A 9 4.965 -25.946 -2.985 1.00 0.00 O ATOM 85 CB ASP A 9 2.988 -27.639 -0.927 1.00 0.00 C ATOM 86 CG ASP A 9 1.505 -27.324 -0.875 1.00 0.00 C ATOM 87 OD1 ASP A 9 1.088 -26.329 -1.502 1.00 0.00 O ATOM 88 OD2 ASP A 9 0.762 -28.072 -0.206 1.00 0.00 O ATOM 0 H ASP A 9 5.360 -28.429 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 9 2.744 -28.215 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.177 -28.574 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.541 -26.860 -0.402 1.00 0.00 H new ATOM 93 N ASP A 10 2.760 -25.652 -3.313 1.00 0.00 N ATOM 94 CA ASP A 10 2.909 -24.309 -3.863 1.00 0.00 C ATOM 95 C ASP A 10 2.860 -23.260 -2.756 1.00 0.00 C ATOM 96 O ASP A 10 1.814 -22.991 -2.167 1.00 0.00 O ATOM 97 CB ASP A 10 1.813 -24.032 -4.893 1.00 0.00 C ATOM 98 CG ASP A 10 0.437 -23.942 -4.265 1.00 0.00 C ATOM 99 OD1 ASP A 10 -0.068 -24.980 -3.789 1.00 0.00 O ATOM 100 OD2 ASP A 10 -0.135 -22.832 -4.248 1.00 0.00 O ATOM 0 H ASP A 10 1.797 -25.983 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 10 3.881 -24.250 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.034 -23.099 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.816 -24.823 -5.643 1.00 0.00 H new ATOM 105 N PRO A 11 4.021 -22.653 -2.465 1.00 0.00 N ATOM 106 CA PRO A 11 4.137 -21.624 -1.428 1.00 0.00 C ATOM 107 C PRO A 11 3.443 -20.324 -1.820 1.00 0.00 C ATOM 108 O PRO A 11 3.162 -20.089 -2.996 1.00 0.00 O ATOM 109 CB PRO A 11 5.648 -21.408 -1.310 1.00 0.00 C ATOM 110 CG PRO A 11 6.192 -21.810 -2.637 1.00 0.00 C ATOM 111 CD PRO A 11 5.308 -22.923 -3.128 1.00 0.00 C ATOM 0 HA PRO A 11 3.662 -21.930 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.883 -20.368 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.073 -22.012 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.185 -20.970 -3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.226 -22.143 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.211 -22.910 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.704 -23.901 -2.855 1.00 0.00 H new ATOM 119 N ILE A 12 3.168 -19.483 -0.828 1.00 0.00 N ATOM 120 CA ILE A 12 2.507 -18.207 -1.071 1.00 0.00 C ATOM 121 C ILE A 12 3.105 -17.499 -2.281 1.00 0.00 C ATOM 122 O ILE A 12 4.315 -17.286 -2.372 1.00 0.00 O ATOM 123 CB ILE A 12 2.608 -17.279 0.154 1.00 0.00 C ATOM 124 CG1 ILE A 12 1.781 -17.837 1.314 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.146 -15.875 -0.205 1.00 0.00 C ATOM 126 CD1 ILE A 12 0.336 -18.099 0.954 1.00 0.00 C ATOM 0 H ILE A 12 3.393 -19.662 0.151 1.00 0.00 H new ATOM 0 HA ILE A 12 1.457 -18.428 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 12 3.651 -17.228 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.235 -18.766 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.818 -17.135 2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.223 -15.231 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.774 -15.478 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.109 -15.908 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.190 -18.493 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.134 -17.168 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.289 -18.825 0.142 1.00 0.00 H new ATOM 138 N PRO A 13 2.240 -17.124 -3.235 1.00 0.00 N ATOM 139 CA PRO A 13 2.661 -16.432 -4.458 1.00 0.00 C ATOM 140 C PRO A 13 3.130 -15.007 -4.185 1.00 0.00 C ATOM 141 O PRO A 13 2.725 -14.389 -3.201 1.00 0.00 O ATOM 142 CB PRO A 13 1.392 -16.423 -5.314 1.00 0.00 C ATOM 143 CG PRO A 13 0.274 -16.511 -4.335 1.00 0.00 C ATOM 144 CD PRO A 13 0.786 -17.346 -3.195 1.00 0.00 C ATOM 0 HA PRO A 13 3.509 -16.924 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.324 -15.514 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.377 -17.263 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.022 -15.520 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.606 -16.967 -4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.358 -17.032 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.537 -18.399 -3.325 1.00 0.00 H new ATOM 152 N ASP A 14 3.982 -14.492 -5.063 1.00 0.00 N ATOM 153 CA ASP A 14 4.505 -13.138 -4.918 1.00 0.00 C ATOM 154 C ASP A 14 3.409 -12.104 -5.156 1.00 0.00 C ATOM 155 O ASP A 14 3.137 -11.265 -4.299 1.00 0.00 O ATOM 156 CB ASP A 14 5.662 -12.907 -5.891 1.00 0.00 C ATOM 157 CG ASP A 14 6.532 -11.733 -5.489 1.00 0.00 C ATOM 158 OD1 ASP A 14 7.148 -11.795 -4.404 1.00 0.00 O ATOM 159 OD2 ASP A 14 6.596 -10.750 -6.258 1.00 0.00 O ATOM 0 H ASP A 14 4.326 -14.991 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 14 4.872 -13.024 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.274 -13.808 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.263 -12.734 -6.891 1.00 0.00 H new ATOM 164 N GLU A 15 2.785 -12.170 -6.329 1.00 0.00 N ATOM 165 CA GLU A 15 1.719 -11.238 -6.680 1.00 0.00 C ATOM 166 C GLU A 15 0.822 -10.960 -5.479 1.00 0.00 C ATOM 167 O GLU A 15 0.205 -9.898 -5.382 1.00 0.00 O ATOM 168 CB GLU A 15 0.887 -11.794 -7.836 1.00 0.00 C ATOM 169 CG GLU A 15 0.309 -13.173 -7.563 1.00 0.00 C ATOM 170 CD GLU A 15 0.211 -14.023 -8.816 1.00 0.00 C ATOM 171 OE1 GLU A 15 -0.424 -13.571 -9.791 1.00 0.00 O ATOM 172 OE2 GLU A 15 0.769 -15.140 -8.819 1.00 0.00 O ATOM 0 H GLU A 15 2.999 -12.858 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 15 2.179 -10.300 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.071 -11.103 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.509 -11.840 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.931 -13.685 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.682 -13.067 -7.122 1.00 0.00 H new ATOM 179 N LEU A 16 0.751 -11.923 -4.566 1.00 0.00 N ATOM 180 CA LEU A 16 -0.073 -11.784 -3.370 1.00 0.00 C ATOM 181 C LEU A 16 0.672 -11.019 -2.280 1.00 0.00 C ATOM 182 O LEU A 16 0.501 -11.288 -1.091 1.00 0.00 O ATOM 183 CB LEU A 16 -0.488 -13.161 -2.849 1.00 0.00 C ATOM 184 CG LEU A 16 -1.707 -13.794 -3.522 1.00 0.00 C ATOM 185 CD1 LEU A 16 -2.984 -13.102 -3.073 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.570 -13.735 -5.036 1.00 0.00 C ATOM 0 H LEU A 16 1.254 -12.808 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.966 -11.220 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.357 -13.840 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.690 -13.078 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.761 -14.841 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.841 -13.566 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.088 -13.197 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.940 -12.047 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.446 -14.190 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.490 -12.695 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.675 -14.278 -5.342 1.00 0.00 H new ATOM 198 N LEU A 17 1.498 -10.064 -2.695 1.00 0.00 N ATOM 199 CA LEU A 17 2.268 -9.259 -1.755 1.00 0.00 C ATOM 200 C LEU A 17 2.432 -7.831 -2.267 1.00 0.00 C ATOM 201 O LEU A 17 2.286 -7.568 -3.462 1.00 0.00 O ATOM 202 CB LEU A 17 3.643 -9.888 -1.520 1.00 0.00 C ATOM 203 CG LEU A 17 3.643 -11.348 -1.066 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.039 -11.941 -1.177 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.124 -11.463 0.360 1.00 0.00 C ATOM 0 H LEU A 17 1.651 -9.829 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 17 1.723 -9.228 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.217 -9.815 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.169 -9.295 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 17 2.978 -11.912 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.020 -12.981 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.373 -11.893 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.726 -11.375 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.131 -12.509 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.763 -10.885 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.106 -11.077 0.409 1.00 0.00 H new ATOM 217 N CYS A 18 2.738 -6.913 -1.357 1.00 0.00 N ATOM 218 CA CYS A 18 2.923 -5.511 -1.716 1.00 0.00 C ATOM 219 C CYS A 18 4.292 -5.289 -2.353 1.00 0.00 C ATOM 220 O CYS A 18 5.148 -6.176 -2.336 1.00 0.00 O ATOM 221 CB CYS A 18 2.773 -4.622 -0.481 1.00 0.00 C ATOM 222 SG CYS A 18 4.090 -4.843 0.759 1.00 0.00 S ATOM 0 H CYS A 18 2.863 -7.114 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 18 2.156 -5.244 -2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.758 -3.579 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.810 -4.828 -0.013 1.00 0.00 H new ATOM 227 N LEU A 19 4.492 -4.102 -2.913 1.00 0.00 N ATOM 228 CA LEU A 19 5.757 -3.762 -3.556 1.00 0.00 C ATOM 229 C LEU A 19 6.622 -2.907 -2.636 1.00 0.00 C ATOM 230 O LEU A 19 7.424 -2.094 -3.100 1.00 0.00 O ATOM 231 CB LEU A 19 5.502 -3.022 -4.869 1.00 0.00 C ATOM 232 CG LEU A 19 4.390 -3.586 -5.754 1.00 0.00 C ATOM 233 CD1 LEU A 19 3.968 -2.566 -6.799 1.00 0.00 C ATOM 234 CD2 LEU A 19 4.841 -4.880 -6.418 1.00 0.00 C ATOM 0 H LEU A 19 3.795 -3.358 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 19 6.290 -4.689 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.263 -1.984 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.428 -3.015 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 19 3.528 -3.806 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.176 -2.986 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.602 -1.667 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.823 -2.312 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.037 -5.267 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.719 -4.686 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.090 -5.614 -5.652 1.00 0.00 H new ATOM 246 N ILE A 20 6.456 -3.095 -1.332 1.00 0.00 N ATOM 247 CA ILE A 20 7.224 -2.343 -0.348 1.00 0.00 C ATOM 248 C ILE A 20 7.948 -3.277 0.616 1.00 0.00 C ATOM 249 O ILE A 20 9.171 -3.416 0.563 1.00 0.00 O ATOM 250 CB ILE A 20 6.324 -1.389 0.459 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.783 -0.277 -0.442 1.00 0.00 C ATOM 252 CG2 ILE A 20 7.094 -0.800 1.633 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.438 0.257 -0.004 1.00 0.00 C ATOM 0 H ILE A 20 5.796 -3.762 -0.932 1.00 0.00 H new ATOM 0 HA ILE A 20 7.957 -1.757 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 20 5.479 -1.956 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.501 0.543 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.700 -0.655 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.444 -0.128 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.434 -1.604 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.956 -0.246 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.117 1.042 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.706 -0.551 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.519 0.666 1.003 1.00 0.00 H new ATOM 265 N CYS A 21 7.186 -3.918 1.495 1.00 0.00 N ATOM 266 CA CYS A 21 7.753 -4.842 2.470 1.00 0.00 C ATOM 267 C CYS A 21 7.527 -6.289 2.045 1.00 0.00 C ATOM 268 O CYS A 21 8.012 -7.221 2.687 1.00 0.00 O ATOM 269 CB CYS A 21 7.137 -4.601 3.850 1.00 0.00 C ATOM 270 SG CYS A 21 5.438 -5.237 4.026 1.00 0.00 S ATOM 0 H CYS A 21 6.173 -3.815 1.552 1.00 0.00 H new ATOM 0 HA CYS A 21 8.827 -4.662 2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.769 -5.069 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.136 -3.530 4.054 1.00 0.00 H new ATOM 275 N LYS A 22 6.786 -6.471 0.957 1.00 0.00 N ATOM 276 CA LYS A 22 6.496 -7.805 0.442 1.00 0.00 C ATOM 277 C LYS A 22 5.816 -8.662 1.505 1.00 0.00 C ATOM 278 O LYS A 22 6.211 -9.803 1.741 1.00 0.00 O ATOM 279 CB LYS A 22 7.784 -8.484 -0.029 1.00 0.00 C ATOM 280 CG LYS A 22 8.534 -7.696 -1.089 1.00 0.00 C ATOM 281 CD LYS A 22 7.827 -7.756 -2.433 1.00 0.00 C ATOM 282 CE LYS A 22 8.188 -9.022 -3.196 1.00 0.00 C ATOM 283 NZ LYS A 22 9.524 -8.915 -3.847 1.00 0.00 N ATOM 0 H LYS A 22 6.375 -5.711 0.414 1.00 0.00 H new ATOM 0 HA LYS A 22 5.818 -7.701 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.439 -8.637 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.541 -9.470 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.628 -6.657 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.545 -8.091 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.748 -7.717 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.097 -6.883 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.184 -9.871 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.429 -9.218 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.734 -9.797 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.521 -8.120 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.252 -8.753 -3.122 1.00 0.00 H new ATOM 297 N ASP A 23 4.793 -8.104 2.143 1.00 0.00 N ATOM 298 CA ASP A 23 4.057 -8.818 3.180 1.00 0.00 C ATOM 299 C ASP A 23 2.555 -8.761 2.916 1.00 0.00 C ATOM 300 O ASP A 23 2.039 -7.756 2.427 1.00 0.00 O ATOM 301 CB ASP A 23 4.368 -8.228 4.556 1.00 0.00 C ATOM 302 CG ASP A 23 3.978 -9.159 5.686 1.00 0.00 C ATOM 303 OD1 ASP A 23 4.821 -9.985 6.092 1.00 0.00 O ATOM 304 OD2 ASP A 23 2.829 -9.061 6.166 1.00 0.00 O ATOM 0 H ASP A 23 4.455 -7.159 1.960 1.00 0.00 H new ATOM 0 HA ASP A 23 4.373 -9.861 3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.434 -8.008 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.840 -7.281 4.670 1.00 0.00 H new ATOM 309 N ILE A 24 1.860 -9.845 3.244 1.00 0.00 N ATOM 310 CA ILE A 24 0.418 -9.918 3.043 1.00 0.00 C ATOM 311 C ILE A 24 -0.249 -8.586 3.365 1.00 0.00 C ATOM 312 O ILE A 24 0.036 -7.969 4.391 1.00 0.00 O ATOM 313 CB ILE A 24 -0.215 -11.021 3.911 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.382 -12.385 3.560 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.726 -11.036 3.729 1.00 0.00 C ATOM 316 CD1 ILE A 24 0.065 -13.463 4.572 1.00 0.00 C ATOM 0 H ILE A 24 2.272 -10.685 3.650 1.00 0.00 H new ATOM 0 HA ILE A 24 0.256 -10.157 1.992 1.00 0.00 H new ATOM 0 HB ILE A 24 0.004 -10.809 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.010 -12.695 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.464 -12.287 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.159 -11.821 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.138 -10.071 4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.965 -11.227 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.520 -14.402 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.461 -13.176 5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.015 -13.589 4.643 1.00 0.00 H new ATOM 328 N MET A 25 -1.142 -8.149 2.482 1.00 0.00 N ATOM 329 CA MET A 25 -1.853 -6.891 2.674 1.00 0.00 C ATOM 330 C MET A 25 -3.251 -7.137 3.234 1.00 0.00 C ATOM 331 O MET A 25 -4.210 -7.316 2.481 1.00 0.00 O ATOM 332 CB MET A 25 -1.947 -6.126 1.353 1.00 0.00 C ATOM 333 CG MET A 25 -0.624 -6.032 0.610 1.00 0.00 C ATOM 334 SD MET A 25 -0.196 -7.562 -0.244 1.00 0.00 S ATOM 335 CE MET A 25 -1.345 -7.516 -1.617 1.00 0.00 C ATOM 0 H MET A 25 -1.390 -8.648 1.627 1.00 0.00 H new ATOM 0 HA MET A 25 -1.293 -6.292 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.681 -6.614 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.316 -5.119 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.675 -5.219 -0.114 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.168 -5.781 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.956 -8.419 -1.611 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.989 -6.642 -1.523 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.791 -7.459 -2.554 1.00 0.00 H new ATOM 345 N THR A 26 -3.362 -7.143 4.559 1.00 0.00 N ATOM 346 CA THR A 26 -4.642 -7.368 5.217 1.00 0.00 C ATOM 347 C THR A 26 -5.788 -6.766 4.413 1.00 0.00 C ATOM 348 O THR A 26 -6.826 -7.401 4.222 1.00 0.00 O ATOM 349 CB THR A 26 -4.655 -6.770 6.637 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.917 -7.026 7.264 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.400 -5.271 6.594 1.00 0.00 C ATOM 0 H THR A 26 -2.580 -6.994 5.197 1.00 0.00 H new ATOM 0 HA THR A 26 -4.778 -8.447 5.283 1.00 0.00 H new ATOM 0 HB THR A 26 -3.860 -7.242 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.917 -6.644 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.414 -4.870 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.427 -5.080 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.177 -4.787 6.002 1.00 0.00 H new ATOM 359 N ASP A 27 -5.594 -5.538 3.944 1.00 0.00 N ATOM 360 CA ASP A 27 -6.612 -4.851 3.157 1.00 0.00 C ATOM 361 C ASP A 27 -6.033 -4.353 1.836 1.00 0.00 C ATOM 362 O ASP A 27 -5.787 -3.160 1.666 1.00 0.00 O ATOM 363 CB ASP A 27 -7.192 -3.678 3.949 1.00 0.00 C ATOM 364 CG ASP A 27 -8.639 -3.402 3.596 1.00 0.00 C ATOM 365 OD1 ASP A 27 -9.407 -4.373 3.432 1.00 0.00 O ATOM 366 OD2 ASP A 27 -9.006 -2.213 3.484 1.00 0.00 O ATOM 0 H ASP A 27 -4.742 -4.998 4.095 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.409 -5.561 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.115 -3.890 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.597 -2.785 3.758 1.00 0.00 H new ATOM 371 N ALA A 28 -5.817 -5.277 0.905 1.00 0.00 N ATOM 372 CA ALA A 28 -5.268 -4.932 -0.400 1.00 0.00 C ATOM 373 C ALA A 28 -5.806 -3.589 -0.885 1.00 0.00 C ATOM 374 O ALA A 28 -6.953 -3.491 -1.322 1.00 0.00 O ATOM 375 CB ALA A 28 -5.583 -6.025 -1.411 1.00 0.00 C ATOM 0 H ALA A 28 -6.014 -6.270 1.031 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.186 -4.846 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.167 -5.754 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.145 -6.966 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.663 -6.139 -1.499 1.00 0.00 H new ATOM 381 N VAL A 29 -4.972 -2.558 -0.802 1.00 0.00 N ATOM 382 CA VAL A 29 -5.365 -1.221 -1.233 1.00 0.00 C ATOM 383 C VAL A 29 -4.744 -0.874 -2.581 1.00 0.00 C ATOM 384 O VAL A 29 -3.522 -0.802 -2.714 1.00 0.00 O ATOM 385 CB VAL A 29 -4.953 -0.156 -0.200 1.00 0.00 C ATOM 386 CG1 VAL A 29 -5.817 -0.257 1.047 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.479 -0.296 0.150 1.00 0.00 C ATOM 0 H VAL A 29 -4.020 -2.622 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.451 -1.224 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.107 0.829 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.510 0.504 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.862 -0.103 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.699 -1.245 1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.205 0.464 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.297 -1.285 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.878 -0.168 -0.750 1.00 0.00 H new ATOM 397 N VAL A 30 -5.594 -0.658 -3.580 1.00 0.00 N ATOM 398 CA VAL A 30 -5.129 -0.316 -4.919 1.00 0.00 C ATOM 399 C VAL A 30 -5.280 1.177 -5.188 1.00 0.00 C ATOM 400 O VAL A 30 -6.387 1.715 -5.153 1.00 0.00 O ATOM 401 CB VAL A 30 -5.898 -1.101 -5.998 1.00 0.00 C ATOM 402 CG1 VAL A 30 -7.397 -1.027 -5.747 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.556 -0.577 -7.384 1.00 0.00 C ATOM 0 H VAL A 30 -6.608 -0.714 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.074 -0.586 -4.966 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.596 -2.147 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.923 -1.587 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.624 -1.454 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.719 0.014 -5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.108 -1.143 -8.134 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.828 0.476 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.486 -0.688 -7.561 1.00 0.00 H new ATOM 413 N ILE A 31 -4.161 1.840 -5.457 1.00 0.00 N ATOM 414 CA ILE A 31 -4.169 3.272 -5.735 1.00 0.00 C ATOM 415 C ILE A 31 -4.549 3.548 -7.185 1.00 0.00 C ATOM 416 O ILE A 31 -4.032 2.931 -8.117 1.00 0.00 O ATOM 417 CB ILE A 31 -2.797 3.909 -5.444 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.961 5.393 -5.106 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.867 3.731 -6.634 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.724 6.014 -4.498 1.00 0.00 C ATOM 0 H ILE A 31 -3.237 1.409 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.914 3.718 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.354 3.406 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.222 5.937 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.794 5.510 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.902 4.186 -6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.730 2.668 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.302 4.211 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.913 7.066 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.473 5.495 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.893 5.929 -5.198 1.00 0.00 H new ATOM 432 N PRO A 32 -5.472 4.501 -7.383 1.00 0.00 N ATOM 433 CA PRO A 32 -5.940 4.884 -8.718 1.00 0.00 C ATOM 434 C PRO A 32 -4.869 5.617 -9.520 1.00 0.00 C ATOM 435 O PRO A 32 -4.664 5.338 -10.702 1.00 0.00 O ATOM 436 CB PRO A 32 -7.120 5.814 -8.427 1.00 0.00 C ATOM 437 CG PRO A 32 -6.842 6.367 -7.073 1.00 0.00 C ATOM 438 CD PRO A 32 -6.130 5.278 -6.319 1.00 0.00 C ATOM 0 HA PRO A 32 -6.203 4.016 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.192 6.607 -9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.065 5.272 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.226 7.264 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.766 6.650 -6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.407 5.685 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.826 4.665 -5.745 1.00 0.00 H new ATOM 446 N CYS A 33 -4.188 6.555 -8.870 1.00 0.00 N ATOM 447 CA CYS A 33 -3.139 7.329 -9.522 1.00 0.00 C ATOM 448 C CYS A 33 -2.428 6.494 -10.584 1.00 0.00 C ATOM 449 O CYS A 33 -2.243 6.939 -11.717 1.00 0.00 O ATOM 450 CB CYS A 33 -2.128 7.827 -8.488 1.00 0.00 C ATOM 451 SG CYS A 33 -1.270 6.497 -7.584 1.00 0.00 S ATOM 0 H CYS A 33 -4.344 6.797 -7.892 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.603 8.186 -10.009 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.386 8.447 -8.991 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.643 8.465 -7.770 1.00 0.00 H new ATOM 456 N CYS A 34 -2.032 5.282 -10.209 1.00 0.00 N ATOM 457 CA CYS A 34 -1.342 4.385 -11.128 1.00 0.00 C ATOM 458 C CYS A 34 -1.912 2.973 -11.039 1.00 0.00 C ATOM 459 O CYS A 34 -2.281 2.376 -12.051 1.00 0.00 O ATOM 460 CB CYS A 34 0.157 4.362 -10.821 1.00 0.00 C ATOM 461 SG CYS A 34 0.558 3.893 -9.107 1.00 0.00 S ATOM 0 H CYS A 34 -2.177 4.899 -9.275 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.493 4.756 -12.142 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.646 3.664 -11.501 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.574 5.349 -11.023 1.00 0.00 H new ATOM 466 N GLY A 35 -1.980 2.443 -9.822 1.00 0.00 N ATOM 467 CA GLY A 35 -2.507 1.105 -9.624 1.00 0.00 C ATOM 468 C GLY A 35 -1.465 0.146 -9.081 1.00 0.00 C ATOM 469 O GLY A 35 -0.660 -0.397 -9.836 1.00 0.00 O ATOM 0 H GLY A 35 -1.680 2.916 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.351 1.148 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.888 0.724 -10.571 1.00 0.00 H new ATOM 473 N ASN A 36 -1.480 -0.059 -7.768 1.00 0.00 N ATOM 474 CA ASN A 36 -0.527 -0.957 -7.125 1.00 0.00 C ATOM 475 C ASN A 36 -1.085 -1.488 -5.808 1.00 0.00 C ATOM 476 O ASN A 36 -1.910 -0.841 -5.165 1.00 0.00 O ATOM 477 CB ASN A 36 0.798 -0.234 -6.876 1.00 0.00 C ATOM 478 CG ASN A 36 1.574 0.007 -8.157 1.00 0.00 C ATOM 479 OD1 ASN A 36 2.021 1.242 -8.353 1.00 0.00 O flip ATOM 480 ND2 ASN A 36 1.770 -0.905 -8.959 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.140 0.384 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.353 -1.801 -7.792 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.602 0.721 -6.388 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.407 -0.823 -6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.408 -1.839 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.295 -0.727 -9.815 1.00 0.00 H new ATOM 487 N SER A 37 -0.626 -2.672 -5.412 1.00 0.00 N ATOM 488 CA SER A 37 -1.081 -3.292 -4.173 1.00 0.00 C ATOM 489 C SER A 37 -0.141 -2.955 -3.021 1.00 0.00 C ATOM 490 O SER A 37 1.078 -3.086 -3.138 1.00 0.00 O ATOM 491 CB SER A 37 -1.174 -4.810 -4.343 1.00 0.00 C ATOM 492 OG SER A 37 0.112 -5.386 -4.495 1.00 0.00 O ATOM 0 H SER A 37 0.060 -3.220 -5.931 1.00 0.00 H new ATOM 0 HA SER A 37 -2.070 -2.898 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.671 -5.246 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.786 -5.045 -5.214 1.00 0.00 H new ATOM 0 HG SER A 37 0.025 -6.356 -4.600 1.00 0.00 H new ATOM 498 N TYR A 38 -0.716 -2.520 -1.905 1.00 0.00 N ATOM 499 CA TYR A 38 0.069 -2.161 -0.730 1.00 0.00 C ATOM 500 C TYR A 38 -0.687 -2.494 0.553 1.00 0.00 C ATOM 501 O TYR A 38 -1.916 -2.572 0.561 1.00 0.00 O ATOM 502 CB TYR A 38 0.416 -0.671 -0.758 1.00 0.00 C ATOM 503 CG TYR A 38 1.320 -0.283 -1.906 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.584 -0.843 -2.042 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.910 0.645 -2.855 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.414 -0.490 -3.089 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.732 1.003 -3.907 1.00 0.00 C ATOM 508 CZ TYR A 38 2.983 0.434 -4.018 1.00 0.00 C ATOM 509 OH TYR A 38 3.806 0.787 -5.063 1.00 0.00 O ATOM 0 H TYR A 38 -1.723 -2.408 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 38 0.991 -2.743 -0.749 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.506 -0.093 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.899 -0.401 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.924 -1.567 -1.317 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.068 1.095 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.394 -0.935 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.396 1.724 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 38 3.353 1.447 -5.628 1.00 0.00 H new ATOM 519 N CYS A 39 0.057 -2.688 1.637 1.00 0.00 N ATOM 520 CA CYS A 39 -0.540 -3.012 2.926 1.00 0.00 C ATOM 521 C CYS A 39 -1.271 -1.805 3.507 1.00 0.00 C ATOM 522 O CYS A 39 -0.755 -0.686 3.489 1.00 0.00 O ATOM 523 CB CYS A 39 0.535 -3.490 3.905 1.00 0.00 C ATOM 524 SG CYS A 39 1.568 -4.848 3.268 1.00 0.00 S ATOM 0 H CYS A 39 1.075 -2.626 1.648 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.263 -3.813 2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.178 -2.648 4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.053 -3.816 4.827 1.00 0.00 H new ATOM 529 N ASP A 40 -2.473 -2.038 4.021 1.00 0.00 N ATOM 530 CA ASP A 40 -3.275 -0.971 4.608 1.00 0.00 C ATOM 531 C ASP A 40 -2.389 0.039 5.332 1.00 0.00 C ATOM 532 O ASP A 40 -2.717 1.222 5.412 1.00 0.00 O ATOM 533 CB ASP A 40 -4.305 -1.551 5.578 1.00 0.00 C ATOM 534 CG ASP A 40 -4.667 -0.582 6.685 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.226 0.492 6.377 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.393 -0.898 7.863 1.00 0.00 O ATOM 0 H ASP A 40 -2.914 -2.957 4.043 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.797 -0.457 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.206 -1.822 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.911 -2.468 6.016 1.00 0.00 H new ATOM 541 N GLU A 41 -1.266 -0.438 5.858 1.00 0.00 N ATOM 542 CA GLU A 41 -0.333 0.424 6.577 1.00 0.00 C ATOM 543 C GLU A 41 0.781 0.909 5.655 1.00 0.00 C ATOM 544 O GLU A 41 1.126 2.091 5.648 1.00 0.00 O ATOM 545 CB GLU A 41 0.266 -0.322 7.771 1.00 0.00 C ATOM 546 CG GLU A 41 1.092 -1.535 7.379 1.00 0.00 C ATOM 547 CD GLU A 41 2.546 -1.193 7.120 1.00 0.00 C ATOM 548 OE1 GLU A 41 3.036 -0.204 7.706 1.00 0.00 O ATOM 549 OE2 GLU A 41 3.195 -1.911 6.332 1.00 0.00 O ATOM 0 H GLU A 41 -0.979 -1.415 5.801 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.884 1.292 6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.892 0.365 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.541 -0.640 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.034 -2.281 8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.664 -1.987 6.484 1.00 0.00 H new ATOM 556 N CYS A 42 1.339 -0.012 4.876 1.00 0.00 N ATOM 557 CA CYS A 42 2.415 0.321 3.950 1.00 0.00 C ATOM 558 C CYS A 42 2.089 1.590 3.169 1.00 0.00 C ATOM 559 O CYS A 42 2.957 2.434 2.945 1.00 0.00 O ATOM 560 CB CYS A 42 2.659 -0.839 2.981 1.00 0.00 C ATOM 561 SG CYS A 42 3.808 -2.105 3.610 1.00 0.00 S ATOM 0 H CYS A 42 1.064 -0.994 4.868 1.00 0.00 H new ATOM 0 HA CYS A 42 3.320 0.497 4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.705 -1.312 2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.051 -0.440 2.045 1.00 0.00 H new ATOM 566 N ILE A 43 0.832 1.718 2.757 1.00 0.00 N ATOM 567 CA ILE A 43 0.390 2.884 2.003 1.00 0.00 C ATOM 568 C ILE A 43 0.116 4.065 2.928 1.00 0.00 C ATOM 569 O ILE A 43 0.398 5.213 2.586 1.00 0.00 O ATOM 570 CB ILE A 43 -0.880 2.579 1.188 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.250 3.779 0.312 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.031 2.218 2.115 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.201 4.118 -0.723 1.00 0.00 C ATOM 0 H ILE A 43 0.102 1.028 2.933 1.00 0.00 H new ATOM 0 HA ILE A 43 1.198 3.142 1.318 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.681 1.726 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.194 3.573 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.413 4.648 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.922 2.005 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.765 1.338 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.233 3.052 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.530 4.978 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.738 4.356 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.054 3.265 -1.385 1.00 0.00 H new ATOM 585 N ARG A 44 -0.435 3.775 4.102 1.00 0.00 N ATOM 586 CA ARG A 44 -0.746 4.813 5.077 1.00 0.00 C ATOM 587 C ARG A 44 0.523 5.513 5.551 1.00 0.00 C ATOM 588 O ARG A 44 0.527 6.720 5.796 1.00 0.00 O ATOM 589 CB ARG A 44 -1.487 4.212 6.274 1.00 0.00 C ATOM 590 CG ARG A 44 -0.587 3.919 7.463 1.00 0.00 C ATOM 591 CD ARG A 44 -1.396 3.577 8.704 1.00 0.00 C ATOM 592 NE ARG A 44 -1.833 4.774 9.419 1.00 0.00 N ATOM 593 CZ ARG A 44 -2.566 4.741 10.526 1.00 0.00 C ATOM 594 NH1 ARG A 44 -2.942 3.580 11.042 1.00 0.00 N ATOM 595 NH2 ARG A 44 -2.924 5.873 11.120 1.00 0.00 N ATOM 0 H ARG A 44 -0.675 2.830 4.401 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.387 5.550 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.274 4.899 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.975 3.289 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.078 3.090 7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.043 4.785 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.267 2.987 8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.795 2.956 9.369 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.560 5.684 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.669 2.708 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.505 3.558 11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.636 6.769 10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.487 5.847 11.970 1.00 0.00 H new ATOM 609 N THR A 45 1.603 4.748 5.679 1.00 0.00 N ATOM 610 CA THR A 45 2.879 5.293 6.125 1.00 0.00 C ATOM 611 C THR A 45 3.582 6.039 4.997 1.00 0.00 C ATOM 612 O THR A 45 4.177 7.094 5.214 1.00 0.00 O ATOM 613 CB THR A 45 3.810 4.185 6.652 1.00 0.00 C ATOM 614 OG1 THR A 45 3.124 3.390 7.626 1.00 0.00 O ATOM 615 CG2 THR A 45 5.065 4.782 7.271 1.00 0.00 C ATOM 0 H THR A 45 1.619 3.748 5.480 1.00 0.00 H new ATOM 0 HA THR A 45 2.660 5.988 6.935 1.00 0.00 H new ATOM 0 HB THR A 45 4.102 3.556 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.415 2.875 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.707 3.981 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.601 5.362 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.788 5.431 8.101 1.00 0.00 H new ATOM 623 N ALA A 46 3.510 5.484 3.792 1.00 0.00 N ATOM 624 CA ALA A 46 4.138 6.098 2.628 1.00 0.00 C ATOM 625 C ALA A 46 3.646 7.528 2.431 1.00 0.00 C ATOM 626 O ALA A 46 4.420 8.417 2.074 1.00 0.00 O ATOM 627 CB ALA A 46 3.867 5.267 1.382 1.00 0.00 C ATOM 0 H ALA A 46 3.023 4.610 3.596 1.00 0.00 H new ATOM 0 HA ALA A 46 5.214 6.132 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.342 5.737 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.273 4.265 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.792 5.203 1.214 1.00 0.00 H new ATOM 633 N LEU A 47 2.356 7.742 2.663 1.00 0.00 N ATOM 634 CA LEU A 47 1.760 9.065 2.510 1.00 0.00 C ATOM 635 C LEU A 47 2.171 9.983 3.657 1.00 0.00 C ATOM 636 O LEU A 47 2.648 11.098 3.434 1.00 0.00 O ATOM 637 CB LEU A 47 0.236 8.956 2.449 1.00 0.00 C ATOM 638 CG LEU A 47 -0.330 8.092 1.322 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.839 7.951 1.464 1.00 0.00 C ATOM 640 CD2 LEU A 47 0.026 8.683 -0.034 1.00 0.00 C ATOM 0 H LEU A 47 1.702 7.017 2.958 1.00 0.00 H new ATOM 0 HA LEU A 47 2.124 9.495 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.118 8.556 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.177 9.960 2.352 1.00 0.00 H new ATOM 0 HG LEU A 47 0.116 7.100 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.225 7.333 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.072 7.482 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.302 8.937 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.385 8.055 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.391 9.687 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.110 8.732 -0.136 1.00 0.00 H new ATOM 652 N LEU A 48 1.985 9.509 4.883 1.00 0.00 N ATOM 653 CA LEU A 48 2.337 10.286 6.066 1.00 0.00 C ATOM 654 C LEU A 48 3.829 10.605 6.083 1.00 0.00 C ATOM 655 O LEU A 48 4.226 11.767 6.006 1.00 0.00 O ATOM 656 CB LEU A 48 1.952 9.523 7.335 1.00 0.00 C ATOM 657 CG LEU A 48 0.521 9.725 7.831 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.476 9.171 6.825 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.329 9.069 9.191 1.00 0.00 C ATOM 0 H LEU A 48 1.592 8.590 5.084 1.00 0.00 H new ATOM 0 HA LEU A 48 1.784 11.225 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.106 8.459 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.636 9.815 8.132 1.00 0.00 H new ATOM 0 HG LEU A 48 0.342 10.795 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.490 9.324 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.356 9.687 5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.298 8.105 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.696 9.223 9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.528 8.000 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.018 9.513 9.910 1.00 0.00 H new ATOM 671 N GLU A 49 4.650 9.564 6.182 1.00 0.00 N ATOM 672 CA GLU A 49 6.098 9.734 6.208 1.00 0.00 C ATOM 673 C GLU A 49 6.525 10.903 5.323 1.00 0.00 C ATOM 674 O GLU A 49 7.404 11.682 5.687 1.00 0.00 O ATOM 675 CB GLU A 49 6.793 8.452 5.748 1.00 0.00 C ATOM 676 CG GLU A 49 6.466 8.062 4.316 1.00 0.00 C ATOM 677 CD GLU A 49 7.466 8.612 3.318 1.00 0.00 C ATOM 678 OE1 GLU A 49 8.541 9.077 3.752 1.00 0.00 O ATOM 679 OE2 GLU A 49 7.174 8.579 2.104 1.00 0.00 O ATOM 0 H GLU A 49 4.337 8.595 6.245 1.00 0.00 H new ATOM 0 HA GLU A 49 6.394 9.951 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.871 8.579 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.508 7.636 6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.440 6.975 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.470 8.424 4.063 1.00 0.00 H new ATOM 686 N SER A 50 5.894 11.015 4.158 1.00 0.00 N ATOM 687 CA SER A 50 6.210 12.085 3.219 1.00 0.00 C ATOM 688 C SER A 50 5.089 13.120 3.177 1.00 0.00 C ATOM 689 O SER A 50 4.043 12.895 2.570 1.00 0.00 O ATOM 690 CB SER A 50 6.442 11.511 1.820 1.00 0.00 C ATOM 691 OG SER A 50 5.259 10.922 1.308 1.00 0.00 O ATOM 0 H SER A 50 5.162 10.379 3.842 1.00 0.00 H new ATOM 0 HA SER A 50 7.122 12.576 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.777 12.302 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.237 10.766 1.856 1.00 0.00 H new ATOM 0 HG SER A 50 4.479 11.413 1.641 1.00 0.00 H new ATOM 697 N ASP A 51 5.318 14.256 3.828 1.00 0.00 N ATOM 698 CA ASP A 51 4.330 15.328 3.865 1.00 0.00 C ATOM 699 C ASP A 51 3.799 15.626 2.466 1.00 0.00 C ATOM 700 O ASP A 51 2.613 15.906 2.290 1.00 0.00 O ATOM 701 CB ASP A 51 4.940 16.592 4.472 1.00 0.00 C ATOM 702 CG ASP A 51 4.835 16.616 5.985 1.00 0.00 C ATOM 703 OD1 ASP A 51 3.697 16.587 6.500 1.00 0.00 O ATOM 704 OD2 ASP A 51 5.889 16.667 6.652 1.00 0.00 O ATOM 0 H ASP A 51 6.179 14.458 4.337 1.00 0.00 H new ATOM 0 HA ASP A 51 3.498 15.000 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.988 16.661 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.437 17.468 4.062 1.00 0.00 H new ATOM 709 N GLU A 52 4.683 15.563 1.476 1.00 0.00 N ATOM 710 CA GLU A 52 4.303 15.828 0.095 1.00 0.00 C ATOM 711 C GLU A 52 3.207 14.869 -0.362 1.00 0.00 C ATOM 712 O GLU A 52 2.369 15.217 -1.194 1.00 0.00 O ATOM 713 CB GLU A 52 5.519 15.706 -0.826 1.00 0.00 C ATOM 714 CG GLU A 52 6.426 16.924 -0.801 1.00 0.00 C ATOM 715 CD GLU A 52 7.207 17.095 -2.090 1.00 0.00 C ATOM 716 OE1 GLU A 52 6.631 17.616 -3.068 1.00 0.00 O ATOM 717 OE2 GLU A 52 8.395 16.710 -2.119 1.00 0.00 O ATOM 0 H GLU A 52 5.668 15.331 1.605 1.00 0.00 H new ATOM 0 HA GLU A 52 3.917 16.846 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.096 14.828 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.176 15.540 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.826 17.816 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.123 16.837 0.033 1.00 0.00 H new ATOM 724 N HIS A 53 3.220 13.659 0.189 1.00 0.00 N ATOM 725 CA HIS A 53 2.228 12.649 -0.161 1.00 0.00 C ATOM 726 C HIS A 53 2.359 12.243 -1.625 1.00 0.00 C ATOM 727 O HIS A 53 1.379 12.244 -2.371 1.00 0.00 O ATOM 728 CB HIS A 53 0.818 13.172 0.112 1.00 0.00 C ATOM 729 CG HIS A 53 0.587 13.553 1.542 1.00 0.00 C ATOM 730 ND1 HIS A 53 0.368 14.852 1.949 1.00 0.00 N ATOM 731 CD2 HIS A 53 0.540 12.796 2.664 1.00 0.00 C ATOM 732 CE1 HIS A 53 0.198 14.879 3.259 1.00 0.00 C ATOM 733 NE2 HIS A 53 0.296 13.644 3.717 1.00 0.00 N ATOM 0 H HIS A 53 3.906 13.355 0.879 1.00 0.00 H new ATOM 0 HA HIS A 53 2.407 11.770 0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.632 14.040 -0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.094 12.408 -0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.670 11.725 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.011 15.761 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.205 13.365 4.694 1.00 0.00 H new ATOM 741 N THR A 54 3.576 11.899 -2.033 1.00 0.00 N ATOM 742 CA THR A 54 3.836 11.493 -3.409 1.00 0.00 C ATOM 743 C THR A 54 3.988 9.981 -3.517 1.00 0.00 C ATOM 744 O THR A 54 4.653 9.353 -2.692 1.00 0.00 O ATOM 745 CB THR A 54 5.105 12.167 -3.964 1.00 0.00 C ATOM 746 OG1 THR A 54 5.030 13.584 -3.774 1.00 0.00 O ATOM 747 CG2 THR A 54 5.280 11.857 -5.442 1.00 0.00 C ATOM 0 H THR A 54 4.398 11.893 -1.430 1.00 0.00 H new ATOM 0 HA THR A 54 2.977 11.812 -4.000 1.00 0.00 H new ATOM 0 HB THR A 54 5.965 11.773 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.841 14.005 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.183 12.344 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.366 10.779 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.417 12.226 -5.996 1.00 0.00 H new ATOM 755 N CYS A 55 3.370 9.400 -4.540 1.00 0.00 N ATOM 756 CA CYS A 55 3.438 7.960 -4.757 1.00 0.00 C ATOM 757 C CYS A 55 4.885 7.499 -4.902 1.00 0.00 C ATOM 758 O CYS A 55 5.661 8.043 -5.689 1.00 0.00 O ATOM 759 CB CYS A 55 2.640 7.573 -6.004 1.00 0.00 C ATOM 760 SG CYS A 55 1.985 5.873 -5.971 1.00 0.00 S ATOM 0 H CYS A 55 2.816 9.905 -5.232 1.00 0.00 H new ATOM 0 HA CYS A 55 3.004 7.466 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.809 8.269 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.278 7.688 -6.880 1.00 0.00 H new ATOM 765 N PRO A 56 5.259 6.471 -4.125 1.00 0.00 N ATOM 766 CA PRO A 56 6.615 5.913 -4.149 1.00 0.00 C ATOM 767 C PRO A 56 6.912 5.168 -5.446 1.00 0.00 C ATOM 768 O PRO A 56 7.977 4.569 -5.601 1.00 0.00 O ATOM 769 CB PRO A 56 6.621 4.945 -2.964 1.00 0.00 C ATOM 770 CG PRO A 56 5.192 4.564 -2.778 1.00 0.00 C ATOM 771 CD PRO A 56 4.388 5.774 -3.165 1.00 0.00 C ATOM 0 HA PRO A 56 7.377 6.690 -4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.240 4.072 -3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.024 5.418 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.932 3.707 -3.400 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.995 4.279 -1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.435 5.496 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.162 6.399 -2.301 1.00 0.00 H new ATOM 779 N THR A 57 5.964 5.210 -6.378 1.00 0.00 N ATOM 780 CA THR A 57 6.125 4.539 -7.661 1.00 0.00 C ATOM 781 C THR A 57 5.874 5.498 -8.819 1.00 0.00 C ATOM 782 O THR A 57 6.490 5.384 -9.879 1.00 0.00 O ATOM 783 CB THR A 57 5.170 3.337 -7.791 1.00 0.00 C ATOM 784 OG1 THR A 57 5.285 2.757 -9.095 1.00 0.00 O ATOM 785 CG2 THR A 57 3.730 3.761 -7.543 1.00 0.00 C ATOM 0 H THR A 57 5.077 5.702 -6.267 1.00 0.00 H new ATOM 0 HA THR A 57 7.154 4.183 -7.703 1.00 0.00 H new ATOM 0 HB THR A 57 5.449 2.597 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.676 1.993 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.074 2.896 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.640 4.173 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.443 4.518 -8.273 1.00 0.00 H new ATOM 793 N CYS A 58 4.966 6.446 -8.610 1.00 0.00 N ATOM 794 CA CYS A 58 4.635 7.427 -9.636 1.00 0.00 C ATOM 795 C CYS A 58 4.714 8.845 -9.078 1.00 0.00 C ATOM 796 O CYS A 58 4.807 9.043 -7.867 1.00 0.00 O ATOM 797 CB CYS A 58 3.233 7.162 -10.190 1.00 0.00 C ATOM 798 SG CYS A 58 1.885 7.629 -9.056 1.00 0.00 S ATOM 0 H CYS A 58 4.447 6.555 -7.739 1.00 0.00 H new ATOM 0 HA CYS A 58 5.362 7.332 -10.443 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.114 7.710 -11.125 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.142 6.102 -10.428 1.00 0.00 H new ATOM 803 N HIS A 59 4.676 9.829 -9.971 1.00 0.00 N ATOM 804 CA HIS A 59 4.742 11.230 -9.569 1.00 0.00 C ATOM 805 C HIS A 59 3.357 11.757 -9.205 1.00 0.00 C ATOM 806 O HIS A 59 2.825 12.641 -9.875 1.00 0.00 O ATOM 807 CB HIS A 59 5.345 12.076 -10.690 1.00 0.00 C ATOM 808 CG HIS A 59 6.842 12.104 -10.681 1.00 0.00 C ATOM 809 ND1 HIS A 59 7.613 11.454 -11.621 1.00 0.00 N ATOM 810 CD2 HIS A 59 7.712 12.711 -9.839 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.891 11.657 -11.358 1.00 0.00 C ATOM 812 NE2 HIS A 59 8.978 12.418 -10.281 1.00 0.00 N ATOM 0 H HIS A 59 4.600 9.682 -10.978 1.00 0.00 H new ATOM 0 HA HIS A 59 5.380 11.300 -8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.003 11.689 -11.650 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.970 13.096 -10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.457 13.313 -8.980 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.723 11.268 -11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.845 12.736 -9.848 1.00 0.00 H new ATOM 820 N GLN A 60 2.780 11.206 -8.142 1.00 0.00 N ATOM 821 CA GLN A 60 1.456 11.621 -7.692 1.00 0.00 C ATOM 822 C GLN A 60 1.554 12.789 -6.717 1.00 0.00 C ATOM 823 O GLN A 60 2.649 13.212 -6.348 1.00 0.00 O ATOM 824 CB GLN A 60 0.729 10.448 -7.031 1.00 0.00 C ATOM 825 CG GLN A 60 -0.782 10.505 -7.186 1.00 0.00 C ATOM 826 CD GLN A 60 -1.211 10.945 -8.572 1.00 0.00 C ATOM 827 OE1 GLN A 60 -0.564 10.619 -9.567 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.307 11.691 -8.643 1.00 0.00 N ATOM 0 H GLN A 60 3.207 10.472 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 60 0.888 11.947 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.095 9.516 -7.461 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.977 10.429 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.202 9.522 -6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.193 11.193 -6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.812 11.937 -7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.644 12.018 -9.549 1.00 0.00 H new ATOM 837 N ASN A 61 0.402 13.306 -6.303 1.00 0.00 N ATOM 838 CA ASN A 61 0.358 14.426 -5.370 1.00 0.00 C ATOM 839 C ASN A 61 -0.935 14.411 -4.560 1.00 0.00 C ATOM 840 O ASN A 61 -2.017 14.186 -5.104 1.00 0.00 O ATOM 841 CB ASN A 61 0.483 15.750 -6.125 1.00 0.00 C ATOM 842 CG ASN A 61 -0.854 16.259 -6.626 1.00 0.00 C ATOM 843 OD1 ASN A 61 -1.250 17.388 -6.338 1.00 0.00 O ATOM 844 ND2 ASN A 61 -1.559 15.425 -7.382 1.00 0.00 N ATOM 0 H ASN A 61 -0.514 12.967 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 61 1.198 14.326 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.931 16.497 -5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.159 15.621 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.467 15.712 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.193 14.497 -7.596 1.00 0.00 H new ATOM 851 N ASP A 62 -0.816 14.650 -3.259 1.00 0.00 N ATOM 852 CA ASP A 62 -1.974 14.665 -2.375 1.00 0.00 C ATOM 853 C ASP A 62 -2.986 13.601 -2.787 1.00 0.00 C ATOM 854 O ASP A 62 -4.161 13.897 -3.005 1.00 0.00 O ATOM 855 CB ASP A 62 -2.633 16.045 -2.385 1.00 0.00 C ATOM 856 CG ASP A 62 -2.584 16.699 -3.753 1.00 0.00 C ATOM 857 OD1 ASP A 62 -3.433 16.359 -4.603 1.00 0.00 O ATOM 858 OD2 ASP A 62 -1.699 17.551 -3.971 1.00 0.00 O ATOM 0 H ASP A 62 0.072 14.836 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.631 14.443 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.671 15.951 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.134 16.688 -1.660 1.00 0.00 H new ATOM 863 N VAL A 63 -2.523 12.360 -2.893 1.00 0.00 N ATOM 864 CA VAL A 63 -3.387 11.251 -3.279 1.00 0.00 C ATOM 865 C VAL A 63 -4.605 11.159 -2.366 1.00 0.00 C ATOM 866 O VAL A 63 -4.512 11.409 -1.165 1.00 0.00 O ATOM 867 CB VAL A 63 -2.631 9.910 -3.244 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.549 8.767 -3.646 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.406 9.965 -4.145 1.00 0.00 C ATOM 0 H VAL A 63 -1.553 12.097 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.715 11.447 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.294 9.730 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.996 7.828 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.390 8.716 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.920 8.936 -4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.884 9.009 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.717 10.169 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.739 10.756 -3.804 1.00 0.00 H new ATOM 879 N SER A 64 -5.746 10.800 -2.946 1.00 0.00 N ATOM 880 CA SER A 64 -6.984 10.678 -2.184 1.00 0.00 C ATOM 881 C SER A 64 -7.129 9.275 -1.604 1.00 0.00 C ATOM 882 O SER A 64 -7.280 8.289 -2.327 1.00 0.00 O ATOM 883 CB SER A 64 -8.187 11.003 -3.072 1.00 0.00 C ATOM 884 OG SER A 64 -8.127 12.338 -3.545 1.00 0.00 O ATOM 0 H SER A 64 -5.839 10.589 -3.940 1.00 0.00 H new ATOM 0 HA SER A 64 -6.947 11.390 -1.360 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.215 10.315 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.109 10.854 -2.509 1.00 0.00 H new ATOM 0 HG SER A 64 -8.906 12.520 -4.111 1.00 0.00 H new ATOM 890 N PRO A 65 -7.084 9.181 -0.267 1.00 0.00 N ATOM 891 CA PRO A 65 -7.209 7.904 0.442 1.00 0.00 C ATOM 892 C PRO A 65 -8.617 7.326 0.351 1.00 0.00 C ATOM 893 O PRO A 65 -8.874 6.216 0.816 1.00 0.00 O ATOM 894 CB PRO A 65 -6.872 8.267 1.890 1.00 0.00 C ATOM 895 CG PRO A 65 -7.201 9.715 2.003 1.00 0.00 C ATOM 896 CD PRO A 65 -6.907 10.314 0.657 1.00 0.00 C ATOM 0 HA PRO A 65 -6.560 7.138 0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.455 7.672 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.821 8.081 2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.247 9.857 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.604 10.191 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.588 11.133 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.896 10.717 0.609 1.00 0.00 H new ATOM 904 N ASP A 66 -9.526 8.087 -0.250 1.00 0.00 N ATOM 905 CA ASP A 66 -10.908 7.650 -0.402 1.00 0.00 C ATOM 906 C ASP A 66 -11.030 6.610 -1.512 1.00 0.00 C ATOM 907 O ASP A 66 -11.810 5.664 -1.407 1.00 0.00 O ATOM 908 CB ASP A 66 -11.813 8.845 -0.705 1.00 0.00 C ATOM 909 CG ASP A 66 -13.275 8.455 -0.807 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.641 7.783 -1.794 1.00 0.00 O ATOM 911 OD2 ASP A 66 -14.052 8.821 0.099 1.00 0.00 O ATOM 0 H ASP A 66 -9.330 9.009 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.224 7.193 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.694 9.594 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.498 9.308 -1.640 1.00 0.00 H new ATOM 916 N ALA A 67 -10.256 6.794 -2.576 1.00 0.00 N ATOM 917 CA ALA A 67 -10.276 5.872 -3.705 1.00 0.00 C ATOM 918 C ALA A 67 -9.769 4.493 -3.296 1.00 0.00 C ATOM 919 O ALA A 67 -10.367 3.473 -3.641 1.00 0.00 O ATOM 920 CB ALA A 67 -9.444 6.424 -4.853 1.00 0.00 C ATOM 0 H ALA A 67 -9.607 7.574 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.308 5.767 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.468 5.725 -5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.853 7.383 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.414 6.560 -4.523 1.00 0.00 H new ATOM 926 N LEU A 68 -8.664 4.469 -2.561 1.00 0.00 N ATOM 927 CA LEU A 68 -8.074 3.214 -2.105 1.00 0.00 C ATOM 928 C LEU A 68 -9.154 2.168 -1.846 1.00 0.00 C ATOM 929 O LEU A 68 -10.173 2.456 -1.218 1.00 0.00 O ATOM 930 CB LEU A 68 -7.255 3.444 -0.835 1.00 0.00 C ATOM 931 CG LEU A 68 -6.199 4.547 -0.907 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.592 4.797 0.465 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.116 4.183 -1.912 1.00 0.00 C ATOM 0 H LEU A 68 -8.157 5.304 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.416 2.843 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.942 3.679 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.758 2.510 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.683 5.465 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.843 5.585 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.375 5.103 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.123 3.882 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.373 4.979 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.636 3.253 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.563 4.056 -2.898 1.00 0.00 H new ATOM 945 N SER A 69 -8.923 0.953 -2.332 1.00 0.00 N ATOM 946 CA SER A 69 -9.876 -0.136 -2.154 1.00 0.00 C ATOM 947 C SER A 69 -9.865 -0.638 -0.713 1.00 0.00 C ATOM 948 O SER A 69 -8.911 -0.408 0.029 1.00 0.00 O ATOM 949 CB SER A 69 -9.553 -1.287 -3.110 1.00 0.00 C ATOM 950 OG SER A 69 -8.673 -2.218 -2.506 1.00 0.00 O ATOM 0 H SER A 69 -8.084 0.698 -2.852 1.00 0.00 H new ATOM 0 HA SER A 69 -10.872 0.245 -2.380 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.474 -1.790 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.101 -0.892 -4.020 1.00 0.00 H new ATOM 0 HG SER A 69 -8.482 -2.944 -3.136 1.00 0.00 H new ATOM 956 N GLY A 70 -10.935 -1.325 -0.324 1.00 0.00 N ATOM 957 CA GLY A 70 -11.029 -1.850 1.026 1.00 0.00 C ATOM 958 C GLY A 70 -12.279 -1.382 1.743 1.00 0.00 C ATOM 959 O GLY A 70 -13.376 -1.897 1.523 1.00 0.00 O ATOM 0 H GLY A 70 -11.738 -1.527 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.020 -2.939 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.151 -1.543 1.594 1.00 0.00 H new ATOM 963 N PRO A 71 -12.122 -0.385 2.626 1.00 0.00 N ATOM 964 CA PRO A 71 -13.236 0.173 3.397 1.00 0.00 C ATOM 965 C PRO A 71 -14.205 0.966 2.526 1.00 0.00 C ATOM 966 O PRO A 71 -15.087 1.658 3.033 1.00 0.00 O ATOM 967 CB PRO A 71 -12.544 1.096 4.404 1.00 0.00 C ATOM 968 CG PRO A 71 -11.258 1.470 3.753 1.00 0.00 C ATOM 969 CD PRO A 71 -10.843 0.275 2.939 1.00 0.00 C ATOM 0 HA PRO A 71 -13.842 -0.606 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.151 1.976 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.374 0.589 5.354 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.382 2.349 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.501 1.717 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.311 0.570 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.178 -0.382 3.500 1.00 0.00 H new ATOM 977 N SER A 72 -14.034 0.860 1.212 1.00 0.00 N ATOM 978 CA SER A 72 -14.891 1.570 0.271 1.00 0.00 C ATOM 979 C SER A 72 -16.357 1.207 0.490 1.00 0.00 C ATOM 980 O SER A 72 -17.181 2.067 0.800 1.00 0.00 O ATOM 981 CB SER A 72 -14.484 1.245 -1.168 1.00 0.00 C ATOM 982 OG SER A 72 -15.457 1.704 -2.090 1.00 0.00 O ATOM 0 H SER A 72 -13.310 0.289 0.776 1.00 0.00 H new ATOM 0 HA SER A 72 -14.769 2.639 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.522 1.707 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.354 0.168 -1.278 1.00 0.00 H new ATOM 0 HG SER A 72 -15.172 1.485 -3.002 1.00 0.00 H new ATOM 988 N SER A 73 -16.674 -0.073 0.326 1.00 0.00 N ATOM 989 CA SER A 73 -18.041 -0.551 0.502 1.00 0.00 C ATOM 990 C SER A 73 -18.530 -0.284 1.922 1.00 0.00 C ATOM 991 O SER A 73 -19.561 0.355 2.124 1.00 0.00 O ATOM 992 CB SER A 73 -18.123 -2.047 0.195 1.00 0.00 C ATOM 993 OG SER A 73 -19.394 -2.570 0.543 1.00 0.00 O ATOM 0 H SER A 73 -16.003 -0.798 0.072 1.00 0.00 H new ATOM 0 HA SER A 73 -18.683 -0.009 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.935 -2.215 -0.866 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.345 -2.577 0.744 1.00 0.00 H new ATOM 0 HG SER A 73 -19.422 -3.527 0.336 1.00 0.00 H new ATOM 999 N GLY A 74 -17.782 -0.781 2.903 1.00 0.00 N ATOM 1000 CA GLY A 74 -18.156 -0.587 4.291 1.00 0.00 C ATOM 1001 C GLY A 74 -18.125 0.872 4.702 1.00 0.00 C ATOM 1002 O GLY A 74 -17.399 1.216 5.634 1.00 0.00 O ATOM 0 H GLY A 74 -16.924 -1.314 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -19.157 -0.986 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.479 -1.155 4.929 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.804 -4.158 2.844 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.771 5.889 -8.029 1.00 0.00 ZN