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 36 ASN : amide:sc= -6.79! C(o=-5.9!,f=-2.1!) USER MOD Set 1.2: A 38 TYR OH : rot -145:sc= 0.485 USER MOD Set 1.3: A 57 THR OG1 : rot -117:sc= 0.429 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.0415 USER MOD Set 2.2: A 6 SER OG : rot 39:sc= 0.226 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0544 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 48:sc= 0.893 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -139:sc= -0.0225 (180deg=-2.05!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 80:sc= 0.257 USER MOD Single : A 53 HIS : no HD1:sc= -3.31! C(o=-3.3!,f=-4.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00237 X(o=-0.0024,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.97) USER MOD Single : A 61 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 21.162 -33.726 3.221 1.00 0.00 N ATOM 2 CA GLY A 1 20.065 -32.944 2.682 1.00 0.00 C ATOM 3 C GLY A 1 18.838 -33.787 2.397 1.00 0.00 C ATOM 4 O GLY A 1 18.670 -34.865 2.968 1.00 0.00 O ATOM 0 H1 GLY A 1 21.627 -33.193 3.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.796 -34.623 3.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.851 -33.924 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.804 -32.155 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.388 -32.456 1.763 1.00 0.00 H new ATOM 8 N SER A 2 17.976 -33.295 1.513 1.00 0.00 N ATOM 9 CA SER A 2 16.754 -34.007 1.158 1.00 0.00 C ATOM 10 C SER A 2 16.825 -34.526 -0.275 1.00 0.00 C ATOM 11 O SER A 2 17.169 -33.788 -1.198 1.00 0.00 O ATOM 12 CB SER A 2 15.539 -33.092 1.321 1.00 0.00 C ATOM 13 OG SER A 2 15.450 -32.593 2.644 1.00 0.00 O ATOM 0 H SER A 2 18.101 -32.406 1.029 1.00 0.00 H new ATOM 0 HA SER A 2 16.651 -34.859 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.609 -32.261 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.630 -33.641 1.074 1.00 0.00 H new ATOM 0 HG SER A 2 14.666 -32.010 2.722 1.00 0.00 H new ATOM 19 N SER A 3 16.497 -35.802 -0.453 1.00 0.00 N ATOM 20 CA SER A 3 16.527 -36.422 -1.773 1.00 0.00 C ATOM 21 C SER A 3 15.113 -36.688 -2.280 1.00 0.00 C ATOM 22 O SER A 3 14.477 -37.667 -1.895 1.00 0.00 O ATOM 23 CB SER A 3 17.318 -37.731 -1.726 1.00 0.00 C ATOM 24 OG SER A 3 16.723 -38.655 -0.830 1.00 0.00 O ATOM 0 H SER A 3 16.208 -36.426 0.300 1.00 0.00 H new ATOM 0 HA SER A 3 17.018 -35.733 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.366 -38.167 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.344 -37.529 -1.417 1.00 0.00 H new ATOM 0 HG SER A 3 15.759 -38.700 -0.999 1.00 0.00 H new ATOM 30 N GLY A 4 14.628 -35.806 -3.149 1.00 0.00 N ATOM 31 CA GLY A 4 13.292 -35.961 -3.696 1.00 0.00 C ATOM 32 C GLY A 4 13.307 -36.319 -5.169 1.00 0.00 C ATOM 33 O GLY A 4 14.301 -36.096 -5.859 1.00 0.00 O ATOM 0 H GLY A 4 15.136 -34.987 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.764 -36.737 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.736 -35.034 -3.556 1.00 0.00 H new ATOM 37 N SER A 5 12.203 -36.880 -5.651 1.00 0.00 N ATOM 38 CA SER A 5 12.095 -37.276 -7.050 1.00 0.00 C ATOM 39 C SER A 5 10.955 -36.532 -7.738 1.00 0.00 C ATOM 40 O SER A 5 11.171 -35.797 -8.704 1.00 0.00 O ATOM 41 CB SER A 5 11.872 -38.785 -7.159 1.00 0.00 C ATOM 42 OG SER A 5 10.784 -39.200 -6.350 1.00 0.00 O ATOM 0 H SER A 5 11.371 -37.071 -5.093 1.00 0.00 H new ATOM 0 HA SER A 5 13.029 -37.017 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.680 -39.053 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.777 -39.312 -6.856 1.00 0.00 H new ATOM 0 HG SER A 5 10.661 -40.168 -6.439 1.00 0.00 H new ATOM 48 N SER A 6 9.740 -36.726 -7.236 1.00 0.00 N ATOM 49 CA SER A 6 8.564 -36.076 -7.804 1.00 0.00 C ATOM 50 C SER A 6 7.735 -35.405 -6.715 1.00 0.00 C ATOM 51 O SER A 6 7.220 -36.066 -5.813 1.00 0.00 O ATOM 52 CB SER A 6 7.708 -37.096 -8.558 1.00 0.00 C ATOM 53 OG SER A 6 7.412 -38.216 -7.743 1.00 0.00 O ATOM 0 H SER A 6 9.544 -37.328 -6.437 1.00 0.00 H new ATOM 0 HA SER A 6 8.903 -35.310 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.781 -36.626 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.233 -37.424 -9.455 1.00 0.00 H new ATOM 0 HG SER A 6 7.230 -37.916 -6.828 1.00 0.00 H new ATOM 59 N GLY A 7 7.609 -34.084 -6.804 1.00 0.00 N ATOM 60 CA GLY A 7 6.842 -33.343 -5.820 1.00 0.00 C ATOM 61 C GLY A 7 7.373 -31.939 -5.608 1.00 0.00 C ATOM 62 O GLY A 7 7.810 -31.594 -4.511 1.00 0.00 O ATOM 0 H GLY A 7 8.025 -33.514 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.801 -33.290 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.857 -33.881 -4.872 1.00 0.00 H new ATOM 66 N GLU A 8 7.337 -31.129 -6.661 1.00 0.00 N ATOM 67 CA GLU A 8 7.821 -29.755 -6.585 1.00 0.00 C ATOM 68 C GLU A 8 6.676 -28.790 -6.289 1.00 0.00 C ATOM 69 O GLU A 8 5.719 -28.692 -7.058 1.00 0.00 O ATOM 70 CB GLU A 8 8.512 -29.360 -7.891 1.00 0.00 C ATOM 71 CG GLU A 8 9.771 -30.159 -8.180 1.00 0.00 C ATOM 72 CD GLU A 8 10.612 -29.546 -9.284 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.796 -28.311 -9.270 1.00 0.00 O ATOM 74 OE2 GLU A 8 11.083 -30.300 -10.160 1.00 0.00 O ATOM 0 H GLU A 8 6.978 -31.400 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 8 8.542 -29.696 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.812 -29.490 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.765 -28.301 -7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.368 -30.230 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.495 -31.175 -8.461 1.00 0.00 H new ATOM 81 N ASP A 9 6.782 -28.081 -5.171 1.00 0.00 N ATOM 82 CA ASP A 9 5.757 -27.123 -4.774 1.00 0.00 C ATOM 83 C ASP A 9 6.242 -25.691 -4.976 1.00 0.00 C ATOM 84 O ASP A 9 7.440 -25.446 -5.119 1.00 0.00 O ATOM 85 CB ASP A 9 5.365 -27.340 -3.312 1.00 0.00 C ATOM 86 CG ASP A 9 6.489 -26.997 -2.354 1.00 0.00 C ATOM 87 OD1 ASP A 9 6.737 -25.793 -2.137 1.00 0.00 O ATOM 88 OD2 ASP A 9 7.120 -27.934 -1.820 1.00 0.00 O ATOM 0 H ASP A 9 7.567 -28.151 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 9 4.882 -27.283 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.493 -26.729 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.073 -28.380 -3.168 1.00 0.00 H new ATOM 93 N ASP A 10 5.305 -24.750 -4.988 1.00 0.00 N ATOM 94 CA ASP A 10 5.638 -23.342 -5.173 1.00 0.00 C ATOM 95 C ASP A 10 4.934 -22.476 -4.131 1.00 0.00 C ATOM 96 O ASP A 10 3.710 -22.489 -4.003 1.00 0.00 O ATOM 97 CB ASP A 10 5.253 -22.885 -6.580 1.00 0.00 C ATOM 98 CG ASP A 10 3.764 -22.633 -6.719 1.00 0.00 C ATOM 99 OD1 ASP A 10 3.287 -21.599 -6.206 1.00 0.00 O ATOM 100 OD2 ASP A 10 3.076 -23.471 -7.340 1.00 0.00 O ATOM 0 H ASP A 10 4.309 -24.936 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 10 6.715 -23.229 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.797 -21.973 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.559 -23.642 -7.302 1.00 0.00 H new ATOM 105 N PRO A 11 5.725 -21.706 -3.370 1.00 0.00 N ATOM 106 CA PRO A 11 5.199 -20.819 -2.327 1.00 0.00 C ATOM 107 C PRO A 11 4.434 -19.634 -2.905 1.00 0.00 C ATOM 108 O PRO A 11 4.319 -19.491 -4.123 1.00 0.00 O ATOM 109 CB PRO A 11 6.459 -20.340 -1.600 1.00 0.00 C ATOM 110 CG PRO A 11 7.546 -20.454 -2.613 1.00 0.00 C ATOM 111 CD PRO A 11 7.193 -21.639 -3.469 1.00 0.00 C ATOM 0 HA PRO A 11 4.485 -21.329 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.349 -19.313 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.668 -20.954 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.617 -19.547 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.514 -20.595 -2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.520 -21.502 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.663 -22.552 -3.104 1.00 0.00 H new ATOM 119 N ILE A 12 3.913 -18.785 -2.025 1.00 0.00 N ATOM 120 CA ILE A 12 3.161 -17.612 -2.449 1.00 0.00 C ATOM 121 C ILE A 12 3.953 -16.785 -3.455 1.00 0.00 C ATOM 122 O ILE A 12 5.118 -16.447 -3.239 1.00 0.00 O ATOM 123 CB ILE A 12 2.787 -16.720 -1.251 1.00 0.00 C ATOM 124 CG1 ILE A 12 1.839 -17.466 -0.308 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.150 -15.425 -1.732 1.00 0.00 C ATOM 126 CD1 ILE A 12 1.630 -16.766 1.016 1.00 0.00 C ATOM 0 H ILE A 12 3.998 -18.888 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 12 2.248 -17.976 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 12 3.697 -16.474 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.874 -17.591 -0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.235 -18.465 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.891 -14.806 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.854 -14.888 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.248 -15.652 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.948 -17.351 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.586 -16.664 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.205 -15.777 0.842 1.00 0.00 H new ATOM 138 N PRO A 13 3.310 -16.447 -4.582 1.00 0.00 N ATOM 139 CA PRO A 13 3.934 -15.653 -5.644 1.00 0.00 C ATOM 140 C PRO A 13 4.164 -14.204 -5.226 1.00 0.00 C ATOM 141 O PRO A 13 3.680 -13.766 -4.182 1.00 0.00 O ATOM 142 CB PRO A 13 2.918 -15.725 -6.787 1.00 0.00 C ATOM 143 CG PRO A 13 1.612 -15.976 -6.116 1.00 0.00 C ATOM 144 CD PRO A 13 1.922 -16.815 -4.907 1.00 0.00 C ATOM 0 HA PRO A 13 4.921 -16.033 -5.909 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.898 -14.797 -7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.164 -16.524 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.134 -15.039 -5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.923 -16.493 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.245 -16.596 -4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.829 -17.879 -5.122 1.00 0.00 H new ATOM 152 N ASP A 14 4.904 -13.466 -6.046 1.00 0.00 N ATOM 153 CA ASP A 14 5.195 -12.067 -5.762 1.00 0.00 C ATOM 154 C ASP A 14 3.966 -11.196 -6.001 1.00 0.00 C ATOM 155 O ASP A 14 3.690 -10.272 -5.236 1.00 0.00 O ATOM 156 CB ASP A 14 6.357 -11.579 -6.630 1.00 0.00 C ATOM 157 CG ASP A 14 5.891 -11.016 -7.958 1.00 0.00 C ATOM 158 OD1 ASP A 14 5.695 -11.807 -8.903 1.00 0.00 O ATOM 159 OD2 ASP A 14 5.721 -9.782 -8.051 1.00 0.00 O ATOM 0 H ASP A 14 5.313 -13.814 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 14 5.476 -11.987 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.914 -10.814 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.044 -12.406 -6.810 1.00 0.00 H new ATOM 164 N GLU A 15 3.232 -11.497 -7.068 1.00 0.00 N ATOM 165 CA GLU A 15 2.033 -10.740 -7.408 1.00 0.00 C ATOM 166 C GLU A 15 1.155 -10.529 -6.178 1.00 0.00 C ATOM 167 O GLU A 15 0.377 -9.577 -6.111 1.00 0.00 O ATOM 168 CB GLU A 15 1.239 -11.461 -8.498 1.00 0.00 C ATOM 169 CG GLU A 15 0.680 -12.804 -8.055 1.00 0.00 C ATOM 170 CD GLU A 15 0.030 -13.569 -9.192 1.00 0.00 C ATOM 171 OE1 GLU A 15 0.664 -13.694 -10.260 1.00 0.00 O ATOM 172 OE2 GLU A 15 -1.112 -14.041 -9.013 1.00 0.00 O ATOM 0 H GLU A 15 3.447 -12.259 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 15 2.345 -9.765 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.416 -10.822 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.882 -11.612 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.484 -13.405 -7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.052 -12.645 -7.263 1.00 0.00 H new ATOM 179 N LEU A 16 1.286 -11.425 -5.206 1.00 0.00 N ATOM 180 CA LEU A 16 0.504 -11.339 -3.977 1.00 0.00 C ATOM 181 C LEU A 16 1.312 -10.680 -2.862 1.00 0.00 C ATOM 182 O LEU A 16 1.096 -10.952 -1.681 1.00 0.00 O ATOM 183 CB LEU A 16 0.052 -12.733 -3.538 1.00 0.00 C ATOM 184 CG LEU A 16 -1.139 -13.322 -4.294 1.00 0.00 C ATOM 185 CD1 LEU A 16 -1.220 -14.825 -4.077 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.432 -12.647 -3.861 1.00 0.00 C ATOM 0 H LEU A 16 1.926 -12.219 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.374 -10.725 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.896 -13.416 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.199 -12.694 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.996 -13.138 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.074 -15.226 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.305 -15.295 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.339 -15.033 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.269 -13.079 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.581 -12.799 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.373 -11.579 -4.071 1.00 0.00 H new ATOM 198 N LEU A 17 2.240 -9.812 -3.247 1.00 0.00 N ATOM 199 CA LEU A 17 3.079 -9.111 -2.281 1.00 0.00 C ATOM 200 C LEU A 17 3.176 -7.627 -2.619 1.00 0.00 C ATOM 201 O LEU A 17 3.101 -7.239 -3.786 1.00 0.00 O ATOM 202 CB LEU A 17 4.477 -9.731 -2.246 1.00 0.00 C ATOM 203 CG LEU A 17 4.558 -11.180 -1.767 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.980 -11.705 -1.888 1.00 0.00 C ATOM 205 CD2 LEU A 17 4.065 -11.296 -0.332 1.00 0.00 C ATOM 0 H LEU A 17 2.431 -9.576 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 17 2.619 -9.211 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.902 -9.677 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.107 -9.120 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 17 3.914 -11.788 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.017 -12.738 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.297 -11.660 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.646 -11.094 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.130 -12.335 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.683 -10.674 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.029 -10.962 -0.275 1.00 0.00 H new ATOM 217 N CYS A 18 3.347 -6.801 -1.593 1.00 0.00 N ATOM 218 CA CYS A 18 3.456 -5.360 -1.780 1.00 0.00 C ATOM 219 C CYS A 18 4.852 -4.979 -2.265 1.00 0.00 C ATOM 220 O CYS A 18 5.803 -5.749 -2.124 1.00 0.00 O ATOM 221 CB CYS A 18 3.141 -4.629 -0.472 1.00 0.00 C ATOM 222 SG CYS A 18 4.476 -4.711 0.765 1.00 0.00 S ATOM 0 H CYS A 18 3.413 -7.106 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 18 2.732 -5.061 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.930 -3.583 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.234 -5.053 -0.041 1.00 0.00 H new ATOM 227 N LEU A 19 4.968 -3.785 -2.837 1.00 0.00 N ATOM 228 CA LEU A 19 6.248 -3.301 -3.343 1.00 0.00 C ATOM 229 C LEU A 19 6.905 -2.354 -2.345 1.00 0.00 C ATOM 230 O LEU A 19 7.466 -1.327 -2.726 1.00 0.00 O ATOM 231 CB LEU A 19 6.052 -2.590 -4.684 1.00 0.00 C ATOM 232 CG LEU A 19 5.151 -3.301 -5.695 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.718 -2.341 -6.791 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.865 -4.506 -6.290 1.00 0.00 C ATOM 0 H LEU A 19 4.192 -3.135 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 19 6.903 -4.161 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.637 -1.601 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.031 -2.442 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 19 4.260 -3.652 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.078 -2.864 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.168 -1.510 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.598 -1.959 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.209 -5.000 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.773 -4.178 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.124 -5.205 -5.495 1.00 0.00 H new ATOM 246 N ILE A 20 6.833 -2.708 -1.065 1.00 0.00 N ATOM 247 CA ILE A 20 7.424 -1.892 -0.013 1.00 0.00 C ATOM 248 C ILE A 20 8.206 -2.751 0.975 1.00 0.00 C ATOM 249 O ILE A 20 9.436 -2.715 1.008 1.00 0.00 O ATOM 250 CB ILE A 20 6.350 -1.097 0.752 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.772 0.008 -0.136 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.935 -0.507 2.027 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.538 0.664 0.443 1.00 0.00 C ATOM 0 H ILE A 20 6.371 -3.555 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 20 8.104 -1.193 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 20 5.543 -1.777 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.535 0.769 -0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.527 -0.412 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.164 0.052 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.303 -1.311 2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.758 0.161 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.183 1.437 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.758 -0.085 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.783 1.114 1.405 1.00 0.00 H new ATOM 265 N CYS A 21 7.483 -3.523 1.780 1.00 0.00 N ATOM 266 CA CYS A 21 8.107 -4.393 2.770 1.00 0.00 C ATOM 267 C CYS A 21 8.102 -5.845 2.298 1.00 0.00 C ATOM 268 O CYS A 21 8.749 -6.705 2.894 1.00 0.00 O ATOM 269 CB CYS A 21 7.381 -4.278 4.110 1.00 0.00 C ATOM 270 SG CYS A 21 5.681 -4.932 4.094 1.00 0.00 S ATOM 0 H CYS A 21 6.464 -3.564 1.766 1.00 0.00 H new ATOM 0 HA CYS A 21 9.142 -4.074 2.897 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.956 -4.809 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.353 -3.230 4.407 1.00 0.00 H new ATOM 275 N LYS A 22 7.364 -6.109 1.225 1.00 0.00 N ATOM 276 CA LYS A 22 7.274 -7.455 0.671 1.00 0.00 C ATOM 277 C LYS A 22 6.612 -8.407 1.662 1.00 0.00 C ATOM 278 O LYS A 22 7.163 -9.458 1.990 1.00 0.00 O ATOM 279 CB LYS A 22 8.667 -7.972 0.303 1.00 0.00 C ATOM 280 CG LYS A 22 9.430 -7.049 -0.631 1.00 0.00 C ATOM 281 CD LYS A 22 8.769 -6.965 -1.996 1.00 0.00 C ATOM 282 CE LYS A 22 9.788 -6.715 -3.096 1.00 0.00 C ATOM 283 NZ LYS A 22 10.444 -7.975 -3.541 1.00 0.00 N ATOM 0 H LYS A 22 6.819 -5.409 0.722 1.00 0.00 H new ATOM 0 HA LYS A 22 6.661 -7.411 -0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.246 -8.112 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.570 -8.951 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.488 -6.053 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.453 -7.408 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.233 -7.892 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.030 -6.164 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.296 -6.242 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.546 -6.018 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.132 -7.762 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.935 -8.414 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.724 -8.631 -3.907 1.00 0.00 H new ATOM 297 N ASP A 23 5.427 -8.034 2.133 1.00 0.00 N ATOM 298 CA ASP A 23 4.689 -8.857 3.084 1.00 0.00 C ATOM 299 C ASP A 23 3.222 -8.971 2.679 1.00 0.00 C ATOM 300 O ASP A 23 2.633 -8.018 2.171 1.00 0.00 O ATOM 301 CB ASP A 23 4.797 -8.268 4.492 1.00 0.00 C ATOM 302 CG ASP A 23 3.859 -8.940 5.475 1.00 0.00 C ATOM 303 OD1 ASP A 23 3.761 -10.185 5.443 1.00 0.00 O ATOM 304 OD2 ASP A 23 3.222 -8.223 6.273 1.00 0.00 O ATOM 0 H ASP A 23 4.957 -7.167 1.872 1.00 0.00 H new ATOM 0 HA ASP A 23 5.128 -9.855 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.823 -8.368 4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.576 -7.201 4.454 1.00 0.00 H new ATOM 309 N ILE A 24 2.641 -10.145 2.908 1.00 0.00 N ATOM 310 CA ILE A 24 1.245 -10.383 2.567 1.00 0.00 C ATOM 311 C ILE A 24 0.380 -9.175 2.910 1.00 0.00 C ATOM 312 O ILE A 24 0.370 -8.710 4.050 1.00 0.00 O ATOM 313 CB ILE A 24 0.691 -11.621 3.298 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.500 -12.865 2.926 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.780 -11.819 2.963 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.236 -14.050 3.828 1.00 0.00 C ATOM 0 H ILE A 24 3.116 -10.944 3.328 1.00 0.00 H new ATOM 0 HA ILE A 24 1.209 -10.558 1.492 1.00 0.00 H new ATOM 0 HB ILE A 24 0.781 -11.461 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.270 -13.143 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.562 -12.622 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.157 -12.697 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.345 -10.940 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.892 -11.961 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.843 -14.895 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.493 -13.790 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.181 -14.320 3.775 1.00 0.00 H new ATOM 328 N MET A 25 -0.345 -8.672 1.917 1.00 0.00 N ATOM 329 CA MET A 25 -1.216 -7.519 2.115 1.00 0.00 C ATOM 330 C MET A 25 -2.536 -7.938 2.752 1.00 0.00 C ATOM 331 O MET A 25 -3.489 -8.293 2.057 1.00 0.00 O ATOM 332 CB MET A 25 -1.479 -6.817 0.781 1.00 0.00 C ATOM 333 CG MET A 25 -0.212 -6.436 0.034 1.00 0.00 C ATOM 334 SD MET A 25 0.437 -7.786 -0.969 1.00 0.00 S ATOM 335 CE MET A 25 -0.591 -7.646 -2.429 1.00 0.00 C ATOM 0 H MET A 25 -0.347 -9.044 0.967 1.00 0.00 H new ATOM 0 HA MET A 25 -0.712 -6.826 2.789 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.081 -7.470 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.068 -5.918 0.963 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.417 -5.579 -0.607 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.547 -6.124 0.751 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.879 -8.641 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.486 -7.071 -2.190 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.035 -7.141 -3.219 1.00 0.00 H new ATOM 345 N THR A 26 -2.589 -7.895 4.080 1.00 0.00 N ATOM 346 CA THR A 26 -3.792 -8.271 4.810 1.00 0.00 C ATOM 347 C THR A 26 -5.034 -7.649 4.183 1.00 0.00 C ATOM 348 O THR A 26 -6.078 -8.292 4.081 1.00 0.00 O ATOM 349 CB THR A 26 -3.708 -7.845 6.288 1.00 0.00 C ATOM 350 OG1 THR A 26 -4.900 -8.234 6.979 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.516 -6.340 6.407 1.00 0.00 C ATOM 0 H THR A 26 -1.811 -7.603 4.672 1.00 0.00 H new ATOM 0 HA THR A 26 -3.867 -9.357 4.756 1.00 0.00 H new ATOM 0 HB THR A 26 -2.849 -8.343 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.838 -7.961 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.459 -6.063 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.593 -6.050 5.905 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.358 -5.828 5.942 1.00 0.00 H new ATOM 359 N ASP A 27 -4.913 -6.393 3.764 1.00 0.00 N ATOM 360 CA ASP A 27 -6.026 -5.684 3.144 1.00 0.00 C ATOM 361 C ASP A 27 -5.587 -5.010 1.848 1.00 0.00 C ATOM 362 O ASP A 27 -5.399 -3.795 1.801 1.00 0.00 O ATOM 363 CB ASP A 27 -6.594 -4.642 4.109 1.00 0.00 C ATOM 364 CG ASP A 27 -8.073 -4.395 3.889 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.842 -5.380 3.867 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.464 -3.218 3.741 1.00 0.00 O ATOM 0 H ASP A 27 -4.056 -5.846 3.843 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.803 -6.412 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.433 -4.975 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.050 -3.705 3.989 1.00 0.00 H new ATOM 371 N ALA A 28 -5.424 -5.808 0.798 1.00 0.00 N ATOM 372 CA ALA A 28 -5.007 -5.289 -0.499 1.00 0.00 C ATOM 373 C ALA A 28 -5.701 -3.968 -0.810 1.00 0.00 C ATOM 374 O ALA A 28 -6.926 -3.866 -0.739 1.00 0.00 O ATOM 375 CB ALA A 28 -5.294 -6.308 -1.592 1.00 0.00 C ATOM 0 H ALA A 28 -5.574 -6.817 0.820 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.933 -5.105 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.978 -5.907 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.747 -7.228 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.363 -6.520 -1.621 1.00 0.00 H new ATOM 381 N VAL A 29 -4.910 -2.956 -1.153 1.00 0.00 N ATOM 382 CA VAL A 29 -5.449 -1.640 -1.475 1.00 0.00 C ATOM 383 C VAL A 29 -4.840 -1.096 -2.763 1.00 0.00 C ATOM 384 O VAL A 29 -3.620 -1.000 -2.892 1.00 0.00 O ATOM 385 CB VAL A 29 -5.195 -0.635 -0.336 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.108 -0.924 0.846 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.734 -0.669 0.088 1.00 0.00 C ATOM 0 H VAL A 29 -3.894 -3.022 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.524 -1.763 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.421 0.367 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.914 -0.204 1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.148 -0.844 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.917 -1.932 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.572 0.047 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.479 -1.670 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.102 -0.408 -0.761 1.00 0.00 H new ATOM 397 N VAL A 30 -5.699 -0.742 -3.713 1.00 0.00 N ATOM 398 CA VAL A 30 -5.246 -0.207 -4.992 1.00 0.00 C ATOM 399 C VAL A 30 -5.380 1.311 -5.030 1.00 0.00 C ATOM 400 O VAL A 30 -6.482 1.850 -4.922 1.00 0.00 O ATOM 401 CB VAL A 30 -6.039 -0.810 -6.166 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.592 -0.197 -7.484 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.880 -2.323 -6.193 1.00 0.00 C ATOM 0 H VAL A 30 -6.712 -0.816 -3.622 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.196 -0.480 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.095 -0.579 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.164 -0.636 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.760 0.880 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.531 -0.395 -7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.447 -2.734 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.826 -2.576 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.253 -2.745 -5.260 1.00 0.00 H new ATOM 413 N ILE A 31 -4.251 1.995 -5.186 1.00 0.00 N ATOM 414 CA ILE A 31 -4.244 3.452 -5.239 1.00 0.00 C ATOM 415 C ILE A 31 -4.757 3.956 -6.585 1.00 0.00 C ATOM 416 O ILE A 31 -4.411 3.432 -7.645 1.00 0.00 O ATOM 417 CB ILE A 31 -2.831 4.016 -4.999 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.916 5.414 -4.381 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.046 4.054 -6.300 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.599 5.908 -3.824 1.00 0.00 C ATOM 0 H ILE A 31 -3.331 1.564 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.906 3.800 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.308 3.361 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.268 6.116 -5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.659 5.406 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.050 4.455 -6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.961 3.045 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.564 4.689 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.733 6.904 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.255 5.227 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.859 5.949 -4.623 1.00 0.00 H new ATOM 432 N PRO A 32 -5.601 4.997 -6.544 1.00 0.00 N ATOM 433 CA PRO A 32 -6.178 5.595 -7.751 1.00 0.00 C ATOM 434 C PRO A 32 -5.140 6.344 -8.580 1.00 0.00 C ATOM 435 O PRO A 32 -5.036 6.144 -9.792 1.00 0.00 O ATOM 436 CB PRO A 32 -7.223 6.568 -7.199 1.00 0.00 C ATOM 437 CG PRO A 32 -6.741 6.906 -5.830 1.00 0.00 C ATOM 438 CD PRO A 32 -6.056 5.671 -5.316 1.00 0.00 C ATOM 0 HA PRO A 32 -6.589 4.841 -8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.302 7.459 -7.822 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.212 6.111 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.053 7.751 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.571 7.190 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.221 5.918 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.737 5.043 -4.742 1.00 0.00 H new ATOM 446 N CYS A 33 -4.372 7.205 -7.922 1.00 0.00 N ATOM 447 CA CYS A 33 -3.341 7.983 -8.598 1.00 0.00 C ATOM 448 C CYS A 33 -2.757 7.207 -9.775 1.00 0.00 C ATOM 449 O CYS A 33 -2.694 7.711 -10.896 1.00 0.00 O ATOM 450 CB CYS A 33 -2.228 8.356 -7.617 1.00 0.00 C ATOM 451 SG CYS A 33 -1.484 6.930 -6.760 1.00 0.00 S ATOM 0 H CYS A 33 -4.444 7.382 -6.920 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.801 8.895 -8.979 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.446 8.890 -8.157 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.629 9.044 -6.873 1.00 0.00 H new ATOM 456 N CYS A 34 -2.331 5.976 -9.512 1.00 0.00 N ATOM 457 CA CYS A 34 -1.753 5.128 -10.547 1.00 0.00 C ATOM 458 C CYS A 34 -2.321 3.713 -10.472 1.00 0.00 C ATOM 459 O CYS A 34 -2.859 3.196 -11.450 1.00 0.00 O ATOM 460 CB CYS A 34 -0.230 5.087 -10.410 1.00 0.00 C ATOM 461 SG CYS A 34 0.354 4.666 -8.736 1.00 0.00 S ATOM 0 H CYS A 34 -2.375 5.543 -8.589 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.012 5.553 -11.517 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.168 4.359 -11.116 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.176 6.059 -10.691 1.00 0.00 H new ATOM 466 N GLY A 35 -2.195 3.093 -9.303 1.00 0.00 N ATOM 467 CA GLY A 35 -2.700 1.745 -9.121 1.00 0.00 C ATOM 468 C GLY A 35 -1.613 0.769 -8.713 1.00 0.00 C ATOM 469 O GLY A 35 -0.844 0.300 -9.551 1.00 0.00 O ATOM 0 H GLY A 35 -1.752 3.500 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.481 1.752 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.161 1.404 -10.048 1.00 0.00 H new ATOM 473 N ASN A 36 -1.550 0.463 -7.421 1.00 0.00 N ATOM 474 CA ASN A 36 -0.548 -0.461 -6.903 1.00 0.00 C ATOM 475 C ASN A 36 -1.043 -1.143 -5.632 1.00 0.00 C ATOM 476 O ASN A 36 -1.893 -0.609 -4.919 1.00 0.00 O ATOM 477 CB ASN A 36 0.761 0.278 -6.622 1.00 0.00 C ATOM 478 CG ASN A 36 1.488 0.672 -7.894 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.887 -0.184 -8.684 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.663 1.972 -8.097 1.00 0.00 N ATOM 0 H ASN A 36 -2.181 0.841 -6.714 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.370 -1.226 -7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.551 1.172 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.410 -0.355 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.145 2.297 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.315 2.646 -7.415 1.00 0.00 H new ATOM 487 N SER A 37 -0.505 -2.326 -5.353 1.00 0.00 N ATOM 488 CA SER A 37 -0.894 -3.084 -4.169 1.00 0.00 C ATOM 489 C SER A 37 0.053 -2.798 -3.007 1.00 0.00 C ATOM 490 O SER A 37 1.271 -2.918 -3.140 1.00 0.00 O ATOM 491 CB SER A 37 -0.905 -4.582 -4.476 1.00 0.00 C ATOM 492 OG SER A 37 -1.804 -4.879 -5.532 1.00 0.00 O ATOM 0 H SER A 37 0.202 -2.781 -5.931 1.00 0.00 H new ATOM 0 HA SER A 37 -1.899 -2.773 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.099 -4.909 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.191 -5.138 -3.583 1.00 0.00 H new ATOM 0 HG SER A 37 -1.792 -5.842 -5.711 1.00 0.00 H new ATOM 498 N TYR A 38 -0.516 -2.423 -1.867 1.00 0.00 N ATOM 499 CA TYR A 38 0.276 -2.117 -0.681 1.00 0.00 C ATOM 500 C TYR A 38 -0.468 -2.520 0.589 1.00 0.00 C ATOM 501 O TYR A 38 -1.696 -2.611 0.602 1.00 0.00 O ATOM 502 CB TYR A 38 0.613 -0.626 -0.637 1.00 0.00 C ATOM 503 CG TYR A 38 1.493 -0.170 -1.778 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.778 -0.673 -1.934 1.00 0.00 C ATOM 505 CD2 TYR A 38 1.037 0.763 -2.701 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.586 -0.258 -2.976 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.837 1.183 -3.747 1.00 0.00 C ATOM 508 CZ TYR A 38 3.111 0.670 -3.879 1.00 0.00 C ATOM 509 OH TYR A 38 3.912 1.084 -4.919 1.00 0.00 O ATOM 0 H TYR A 38 -1.523 -2.323 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 38 1.202 -2.690 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.314 -0.052 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.111 -0.402 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.152 -1.401 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.041 1.167 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.583 -0.658 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.467 1.908 -4.457 1.00 0.00 H new ATOM 0 HH TYR A 38 3.740 2.030 -5.108 1.00 0.00 H new ATOM 519 N CYS A 39 0.286 -2.762 1.656 1.00 0.00 N ATOM 520 CA CYS A 39 -0.299 -3.156 2.933 1.00 0.00 C ATOM 521 C CYS A 39 -1.135 -2.023 3.520 1.00 0.00 C ATOM 522 O CYS A 39 -0.728 -0.861 3.500 1.00 0.00 O ATOM 523 CB CYS A 39 0.801 -3.556 3.918 1.00 0.00 C ATOM 524 SG CYS A 39 1.957 -4.807 3.273 1.00 0.00 S ATOM 0 H CYS A 39 1.304 -2.692 1.662 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.951 -4.012 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.365 -2.666 4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.338 -3.939 4.827 1.00 0.00 H new ATOM 529 N ASP A 40 -2.306 -2.369 4.043 1.00 0.00 N ATOM 530 CA ASP A 40 -3.200 -1.382 4.638 1.00 0.00 C ATOM 531 C ASP A 40 -2.406 -0.273 5.324 1.00 0.00 C ATOM 532 O ASP A 40 -2.838 0.878 5.362 1.00 0.00 O ATOM 533 CB ASP A 40 -4.137 -2.052 5.643 1.00 0.00 C ATOM 534 CG ASP A 40 -4.532 -1.123 6.775 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.633 -0.678 7.518 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.741 -0.843 6.917 1.00 0.00 O ATOM 0 H ASP A 40 -2.659 -3.326 4.067 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.794 -0.938 3.839 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.034 -2.393 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.651 -2.936 6.055 1.00 0.00 H new ATOM 541 N GLU A 41 -1.246 -0.632 5.864 1.00 0.00 N ATOM 542 CA GLU A 41 -0.394 0.334 6.550 1.00 0.00 C ATOM 543 C GLU A 41 0.663 0.896 5.604 1.00 0.00 C ATOM 544 O GLU A 41 0.836 2.111 5.499 1.00 0.00 O ATOM 545 CB GLU A 41 0.282 -0.318 7.758 1.00 0.00 C ATOM 546 CG GLU A 41 1.159 -1.506 7.398 1.00 0.00 C ATOM 547 CD GLU A 41 1.589 -2.303 8.614 1.00 0.00 C ATOM 548 OE1 GLU A 41 0.703 -2.803 9.339 1.00 0.00 O ATOM 549 OE2 GLU A 41 2.811 -2.427 8.841 1.00 0.00 O ATOM 0 H GLU A 41 -0.875 -1.582 5.840 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.023 1.156 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.889 0.428 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.485 -0.643 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.617 -2.159 6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.044 -1.153 6.868 1.00 0.00 H new ATOM 556 N CYS A 42 1.368 0.002 4.917 1.00 0.00 N ATOM 557 CA CYS A 42 2.409 0.408 3.980 1.00 0.00 C ATOM 558 C CYS A 42 2.011 1.682 3.242 1.00 0.00 C ATOM 559 O CYS A 42 2.779 2.644 3.186 1.00 0.00 O ATOM 560 CB CYS A 42 2.682 -0.713 2.973 1.00 0.00 C ATOM 561 SG CYS A 42 4.004 -1.860 3.480 1.00 0.00 S ATOM 0 H CYS A 42 1.237 -1.007 4.992 1.00 0.00 H new ATOM 0 HA CYS A 42 3.317 0.608 4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.764 -1.279 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.949 -0.269 2.014 1.00 0.00 H new ATOM 566 N ILE A 43 0.808 1.683 2.678 1.00 0.00 N ATOM 567 CA ILE A 43 0.308 2.840 1.946 1.00 0.00 C ATOM 568 C ILE A 43 -0.149 3.938 2.900 1.00 0.00 C ATOM 569 O ILE A 43 -0.125 5.121 2.556 1.00 0.00 O ATOM 570 CB ILE A 43 -0.864 2.458 1.022 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.305 3.667 0.195 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.027 1.914 1.839 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.332 4.036 -0.903 1.00 0.00 C ATOM 0 H ILE A 43 0.161 0.895 2.714 1.00 0.00 H new ATOM 0 HA ILE A 43 1.134 3.210 1.338 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.530 1.677 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.278 3.458 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.434 4.523 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.847 1.649 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.704 1.029 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.364 2.674 2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.709 4.901 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.637 4.277 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.221 3.196 -1.588 1.00 0.00 H new ATOM 585 N ARG A 44 -0.562 3.540 4.098 1.00 0.00 N ATOM 586 CA ARG A 44 -1.024 4.492 5.102 1.00 0.00 C ATOM 587 C ARG A 44 0.121 5.386 5.570 1.00 0.00 C ATOM 588 O ARG A 44 0.002 6.612 5.580 1.00 0.00 O ATOM 589 CB ARG A 44 -1.629 3.752 6.296 1.00 0.00 C ATOM 590 CG ARG A 44 -2.402 4.655 7.244 1.00 0.00 C ATOM 591 CD ARG A 44 -3.517 3.899 7.948 1.00 0.00 C ATOM 592 NE ARG A 44 -4.586 3.518 7.027 1.00 0.00 N ATOM 593 CZ ARG A 44 -5.843 3.317 7.405 1.00 0.00 C ATOM 594 NH1 ARG A 44 -6.189 3.459 8.678 1.00 0.00 N ATOM 595 NH2 ARG A 44 -6.759 2.973 6.510 1.00 0.00 N ATOM 0 H ARG A 44 -0.586 2.565 4.398 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.790 5.120 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.294 2.970 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.830 3.258 6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.721 5.074 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.823 5.492 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.108 3.005 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.928 4.519 8.745 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.354 3.400 6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.488 3.724 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.156 3.304 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.498 2.863 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.724 2.819 6.802 1.00 0.00 H new ATOM 609 N THR A 45 1.230 4.764 5.960 1.00 0.00 N ATOM 610 CA THR A 45 2.394 5.501 6.431 1.00 0.00 C ATOM 611 C THR A 45 3.096 6.215 5.281 1.00 0.00 C ATOM 612 O THR A 45 3.467 7.382 5.396 1.00 0.00 O ATOM 613 CB THR A 45 3.401 4.572 7.134 1.00 0.00 C ATOM 614 OG1 THR A 45 2.785 3.947 8.265 1.00 0.00 O ATOM 615 CG2 THR A 45 4.630 5.348 7.585 1.00 0.00 C ATOM 0 H THR A 45 1.345 3.751 5.958 1.00 0.00 H new ATOM 0 HA THR A 45 2.031 6.239 7.146 1.00 0.00 H new ATOM 0 HB THR A 45 3.714 3.808 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.432 3.357 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.327 4.671 8.079 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.114 5.798 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.330 6.131 8.281 1.00 0.00 H new ATOM 623 N ALA A 46 3.274 5.505 4.172 1.00 0.00 N ATOM 624 CA ALA A 46 3.930 6.072 2.999 1.00 0.00 C ATOM 625 C ALA A 46 3.498 7.517 2.774 1.00 0.00 C ATOM 626 O ALA A 46 4.318 8.377 2.449 1.00 0.00 O ATOM 627 CB ALA A 46 3.626 5.231 1.767 1.00 0.00 C ATOM 0 H ALA A 46 2.974 4.537 4.061 1.00 0.00 H new ATOM 0 HA ALA A 46 5.006 6.065 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.122 5.665 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.989 4.215 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.549 5.210 1.597 1.00 0.00 H new ATOM 633 N LEU A 47 2.207 7.779 2.948 1.00 0.00 N ATOM 634 CA LEU A 47 1.667 9.121 2.763 1.00 0.00 C ATOM 635 C LEU A 47 2.239 10.085 3.797 1.00 0.00 C ATOM 636 O LEU A 47 2.591 11.221 3.475 1.00 0.00 O ATOM 637 CB LEU A 47 0.140 9.095 2.864 1.00 0.00 C ATOM 638 CG LEU A 47 -0.586 8.235 1.830 1.00 0.00 C ATOM 639 CD1 LEU A 47 -2.016 7.964 2.270 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.564 8.907 0.465 1.00 0.00 C ATOM 0 H LEU A 47 1.515 7.080 3.217 1.00 0.00 H new ATOM 0 HA LEU A 47 1.954 9.469 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.132 8.740 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.227 10.118 2.779 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.065 7.281 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.517 7.350 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.009 7.438 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.548 8.909 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.086 8.280 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.059 9.876 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.469 9.047 0.145 1.00 0.00 H new ATOM 652 N LEU A 48 2.334 9.626 5.040 1.00 0.00 N ATOM 653 CA LEU A 48 2.867 10.446 6.121 1.00 0.00 C ATOM 654 C LEU A 48 4.365 10.671 5.946 1.00 0.00 C ATOM 655 O LEU A 48 4.851 11.797 6.061 1.00 0.00 O ATOM 656 CB LEU A 48 2.594 9.785 7.474 1.00 0.00 C ATOM 657 CG LEU A 48 1.186 9.971 8.040 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.179 9.148 7.250 1.00 0.00 C ATOM 659 CD2 LEU A 48 1.149 9.592 9.512 1.00 0.00 C ATOM 0 H LEU A 48 2.048 8.689 5.324 1.00 0.00 H new ATOM 0 HA LEU A 48 2.366 11.414 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.788 8.717 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.309 10.176 8.198 1.00 0.00 H new ATOM 0 HG LEU A 48 0.915 11.023 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.817 9.293 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.186 9.467 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.446 8.093 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.139 9.731 9.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.441 8.548 9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.840 10.225 10.068 1.00 0.00 H new ATOM 671 N GLU A 49 5.092 9.594 5.665 1.00 0.00 N ATOM 672 CA GLU A 49 6.535 9.676 5.473 1.00 0.00 C ATOM 673 C GLU A 49 6.888 10.761 4.461 1.00 0.00 C ATOM 674 O GLU A 49 7.599 11.715 4.780 1.00 0.00 O ATOM 675 CB GLU A 49 7.086 8.327 5.005 1.00 0.00 C ATOM 676 CG GLU A 49 7.484 7.403 6.143 1.00 0.00 C ATOM 677 CD GLU A 49 8.337 8.097 7.187 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.403 8.636 6.819 1.00 0.00 O ATOM 679 OE2 GLU A 49 7.940 8.101 8.371 1.00 0.00 O ATOM 0 H GLU A 49 4.706 8.655 5.565 1.00 0.00 H new ATOM 0 HA GLU A 49 6.990 9.934 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.334 7.830 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.954 8.500 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.585 7.009 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.031 6.551 5.740 1.00 0.00 H new ATOM 686 N SER A 50 6.388 10.609 3.239 1.00 0.00 N ATOM 687 CA SER A 50 6.654 11.572 2.178 1.00 0.00 C ATOM 688 C SER A 50 6.302 12.987 2.629 1.00 0.00 C ATOM 689 O SER A 50 5.521 13.177 3.562 1.00 0.00 O ATOM 690 CB SER A 50 5.859 11.213 0.921 1.00 0.00 C ATOM 691 OG SER A 50 6.147 9.892 0.496 1.00 0.00 O ATOM 0 H SER A 50 5.796 9.827 2.959 1.00 0.00 H new ATOM 0 HA SER A 50 7.719 11.536 1.947 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.792 11.309 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.098 11.916 0.123 1.00 0.00 H new ATOM 0 HG SER A 50 5.643 9.255 1.044 1.00 0.00 H new ATOM 697 N ASP A 51 6.884 13.976 1.959 1.00 0.00 N ATOM 698 CA ASP A 51 6.632 15.374 2.289 1.00 0.00 C ATOM 699 C ASP A 51 5.137 15.676 2.271 1.00 0.00 C ATOM 700 O ASP A 51 4.561 16.067 3.286 1.00 0.00 O ATOM 701 CB ASP A 51 7.362 16.291 1.307 1.00 0.00 C ATOM 702 CG ASP A 51 8.833 16.448 1.644 1.00 0.00 C ATOM 703 OD1 ASP A 51 9.143 16.747 2.816 1.00 0.00 O ATOM 704 OD2 ASP A 51 9.672 16.273 0.736 1.00 0.00 O ATOM 0 H ASP A 51 7.533 13.836 1.185 1.00 0.00 H new ATOM 0 HA ASP A 51 7.009 15.558 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.264 15.889 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.886 17.271 1.307 1.00 0.00 H new ATOM 709 N GLU A 52 4.515 15.493 1.110 1.00 0.00 N ATOM 710 CA GLU A 52 3.087 15.748 0.960 1.00 0.00 C ATOM 711 C GLU A 52 2.400 14.589 0.245 1.00 0.00 C ATOM 712 O GLU A 52 2.152 14.648 -0.960 1.00 0.00 O ATOM 713 CB GLU A 52 2.857 17.049 0.186 1.00 0.00 C ATOM 714 CG GLU A 52 3.562 18.251 0.792 1.00 0.00 C ATOM 715 CD GLU A 52 4.961 18.446 0.239 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.494 17.497 -0.372 1.00 0.00 O ATOM 717 OE2 GLU A 52 5.522 19.547 0.419 1.00 0.00 O ATOM 0 H GLU A 52 4.977 15.169 0.260 1.00 0.00 H new ATOM 0 HA GLU A 52 2.654 15.845 1.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.200 16.917 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.787 17.251 0.141 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.972 19.148 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.617 18.128 1.874 1.00 0.00 H new ATOM 724 N HIS A 53 2.095 13.535 0.995 1.00 0.00 N ATOM 725 CA HIS A 53 1.436 12.361 0.434 1.00 0.00 C ATOM 726 C HIS A 53 1.872 12.132 -1.009 1.00 0.00 C ATOM 727 O HIS A 53 1.053 11.825 -1.876 1.00 0.00 O ATOM 728 CB HIS A 53 -0.083 12.523 0.502 1.00 0.00 C ATOM 729 CG HIS A 53 -0.642 12.356 1.881 1.00 0.00 C ATOM 730 ND1 HIS A 53 -1.809 11.667 2.141 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.188 12.792 3.078 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.048 11.688 3.440 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.080 12.364 4.032 1.00 0.00 N ATOM 0 H HIS A 53 2.294 13.470 1.993 1.00 0.00 H new ATOM 0 HA HIS A 53 1.728 11.493 1.025 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.352 13.511 0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.548 11.793 -0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.708 13.369 3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.892 11.230 3.934 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.006 12.540 5.034 1.00 0.00 H new ATOM 741 N THR A 54 3.168 12.284 -1.263 1.00 0.00 N ATOM 742 CA THR A 54 3.713 12.096 -2.602 1.00 0.00 C ATOM 743 C THR A 54 3.864 10.616 -2.931 1.00 0.00 C ATOM 744 O THR A 54 4.879 9.997 -2.607 1.00 0.00 O ATOM 745 CB THR A 54 5.082 12.786 -2.754 1.00 0.00 C ATOM 746 OG1 THR A 54 4.960 14.185 -2.470 1.00 0.00 O ATOM 747 CG2 THR A 54 5.632 12.594 -4.159 1.00 0.00 C ATOM 0 H THR A 54 3.860 12.537 -0.558 1.00 0.00 H new ATOM 0 HA THR A 54 3.007 12.550 -3.297 1.00 0.00 H new ATOM 0 HB THR A 54 5.774 12.331 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.835 14.616 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.599 13.090 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.752 11.530 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.940 13.025 -4.883 1.00 0.00 H new ATOM 755 N CYS A 55 2.849 10.051 -3.576 1.00 0.00 N ATOM 756 CA CYS A 55 2.869 8.642 -3.950 1.00 0.00 C ATOM 757 C CYS A 55 4.285 8.189 -4.291 1.00 0.00 C ATOM 758 O CYS A 55 4.966 8.775 -5.133 1.00 0.00 O ATOM 759 CB CYS A 55 1.943 8.396 -5.142 1.00 0.00 C ATOM 760 SG CYS A 55 1.908 6.666 -5.712 1.00 0.00 S ATOM 0 H CYS A 55 2.002 10.548 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 55 2.516 8.061 -3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.931 8.699 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.256 9.034 -5.969 1.00 0.00 H new ATOM 765 N PRO A 56 4.742 7.121 -3.620 1.00 0.00 N ATOM 766 CA PRO A 56 6.081 6.564 -3.835 1.00 0.00 C ATOM 767 C PRO A 56 6.218 5.891 -5.197 1.00 0.00 C ATOM 768 O PRO A 56 7.246 5.286 -5.502 1.00 0.00 O ATOM 769 CB PRO A 56 6.222 5.533 -2.712 1.00 0.00 C ATOM 770 CG PRO A 56 4.822 5.144 -2.379 1.00 0.00 C ATOM 771 CD PRO A 56 3.986 6.373 -2.601 1.00 0.00 C ATOM 0 HA PRO A 56 6.850 7.336 -3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.806 4.672 -3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.732 5.957 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.484 4.323 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.747 4.803 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.984 6.120 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.869 6.950 -1.684 1.00 0.00 H new ATOM 779 N THR A 57 5.174 6.001 -6.013 1.00 0.00 N ATOM 780 CA THR A 57 5.178 5.402 -7.342 1.00 0.00 C ATOM 781 C THR A 57 5.133 6.471 -8.427 1.00 0.00 C ATOM 782 O THR A 57 6.023 6.548 -9.275 1.00 0.00 O ATOM 783 CB THR A 57 3.985 4.445 -7.530 1.00 0.00 C ATOM 784 OG1 THR A 57 3.959 3.481 -6.472 1.00 0.00 O ATOM 785 CG2 THR A 57 4.070 3.732 -8.871 1.00 0.00 C ATOM 0 H THR A 57 4.316 6.499 -5.777 1.00 0.00 H new ATOM 0 HA THR A 57 6.106 4.837 -7.431 1.00 0.00 H new ATOM 0 HB THR A 57 3.068 5.034 -7.507 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.084 2.583 -6.844 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.217 3.062 -8.981 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.060 4.467 -9.675 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.994 3.155 -8.918 1.00 0.00 H new ATOM 793 N CYS A 58 4.093 7.298 -8.394 1.00 0.00 N ATOM 794 CA CYS A 58 3.931 8.364 -9.375 1.00 0.00 C ATOM 795 C CYS A 58 3.854 9.726 -8.690 1.00 0.00 C ATOM 796 O CYS A 58 3.660 9.813 -7.477 1.00 0.00 O ATOM 797 CB CYS A 58 2.672 8.130 -10.211 1.00 0.00 C ATOM 798 SG CYS A 58 1.124 8.171 -9.252 1.00 0.00 S ATOM 0 H CYS A 58 3.349 7.250 -7.698 1.00 0.00 H new ATOM 0 HA CYS A 58 4.801 8.355 -10.031 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.622 8.887 -10.993 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.753 7.163 -10.708 1.00 0.00 H new ATOM 803 N HIS A 59 4.008 10.787 -9.475 1.00 0.00 N ATOM 804 CA HIS A 59 3.954 12.145 -8.946 1.00 0.00 C ATOM 805 C HIS A 59 2.525 12.526 -8.570 1.00 0.00 C ATOM 806 O HIS A 59 1.770 13.030 -9.400 1.00 0.00 O ATOM 807 CB HIS A 59 4.507 13.137 -9.970 1.00 0.00 C ATOM 808 CG HIS A 59 5.999 13.263 -9.937 1.00 0.00 C ATOM 809 ND1 HIS A 59 6.805 12.939 -11.007 1.00 0.00 N ATOM 810 CD2 HIS A 59 6.830 13.682 -8.955 1.00 0.00 C ATOM 811 CE1 HIS A 59 8.068 13.153 -10.685 1.00 0.00 C ATOM 812 NE2 HIS A 59 8.110 13.605 -9.445 1.00 0.00 N ATOM 0 H HIS A 59 4.171 10.733 -10.480 1.00 0.00 H new ATOM 0 HA HIS A 59 4.569 12.182 -8.047 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.199 12.826 -10.968 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.064 14.117 -9.791 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.540 14.015 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.921 12.987 -11.326 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.956 13.856 -8.934 1.00 0.00 H new ATOM 820 N GLN A 60 2.163 12.281 -7.315 1.00 0.00 N ATOM 821 CA GLN A 60 0.825 12.597 -6.831 1.00 0.00 C ATOM 822 C GLN A 60 0.870 13.722 -5.801 1.00 0.00 C ATOM 823 O GLN A 60 1.940 14.102 -5.330 1.00 0.00 O ATOM 824 CB GLN A 60 0.174 11.356 -6.219 1.00 0.00 C ATOM 825 CG GLN A 60 -1.332 11.477 -6.054 1.00 0.00 C ATOM 826 CD GLN A 60 -2.010 12.043 -7.285 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.796 11.566 -8.400 1.00 0.00 O ATOM 828 NE2 GLN A 60 -2.835 13.065 -7.091 1.00 0.00 N ATOM 0 H GLN A 60 2.778 11.865 -6.615 1.00 0.00 H new ATOM 0 HA GLN A 60 0.229 12.930 -7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.394 10.493 -6.848 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.623 11.163 -5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.750 10.495 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.550 12.116 -5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.983 13.429 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.320 13.486 -7.883 1.00 0.00 H new ATOM 837 N ASN A 61 -0.300 14.250 -5.458 1.00 0.00 N ATOM 838 CA ASN A 61 -0.394 15.333 -4.485 1.00 0.00 C ATOM 839 C ASN A 61 -1.637 15.176 -3.615 1.00 0.00 C ATOM 840 O ASN A 61 -2.756 15.431 -4.060 1.00 0.00 O ATOM 841 CB ASN A 61 -0.425 16.686 -5.198 1.00 0.00 C ATOM 842 CG ASN A 61 -1.059 16.600 -6.573 1.00 0.00 C ATOM 843 OD1 ASN A 61 -0.500 16.000 -7.490 1.00 0.00 O ATOM 844 ND2 ASN A 61 -2.233 17.204 -6.722 1.00 0.00 N ATOM 0 H ASN A 61 -1.196 13.946 -5.839 1.00 0.00 H new ATOM 0 HA ASN A 61 0.486 15.288 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.978 17.402 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.592 17.067 -5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.707 17.181 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.660 17.690 -5.934 1.00 0.00 H new ATOM 851 N ASP A 62 -1.432 14.754 -2.372 1.00 0.00 N ATOM 852 CA ASP A 62 -2.536 14.564 -1.437 1.00 0.00 C ATOM 853 C ASP A 62 -3.426 13.405 -1.875 1.00 0.00 C ATOM 854 O ASP A 62 -4.637 13.563 -2.029 1.00 0.00 O ATOM 855 CB ASP A 62 -3.364 15.846 -1.325 1.00 0.00 C ATOM 856 CG ASP A 62 -4.364 15.790 -0.187 1.00 0.00 C ATOM 857 OD1 ASP A 62 -3.931 15.716 0.981 1.00 0.00 O ATOM 858 OD2 ASP A 62 -5.581 15.822 -0.466 1.00 0.00 O ATOM 0 H ASP A 62 -0.512 14.537 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.115 14.326 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.696 16.695 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.893 16.016 -2.262 1.00 0.00 H new ATOM 863 N VAL A 63 -2.817 12.241 -2.077 1.00 0.00 N ATOM 864 CA VAL A 63 -3.554 11.056 -2.499 1.00 0.00 C ATOM 865 C VAL A 63 -4.911 10.978 -1.807 1.00 0.00 C ATOM 866 O VAL A 63 -5.119 11.584 -0.757 1.00 0.00 O ATOM 867 CB VAL A 63 -2.764 9.768 -2.199 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.558 8.543 -2.623 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.409 9.801 -2.892 1.00 0.00 C ATOM 0 H VAL A 63 -1.815 12.093 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.702 11.141 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.596 9.708 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.984 7.643 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.501 8.514 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.759 8.592 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.864 8.884 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.553 9.885 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.838 10.658 -2.534 1.00 0.00 H new ATOM 879 N SER A 64 -5.830 10.227 -2.405 1.00 0.00 N ATOM 880 CA SER A 64 -7.170 10.072 -1.849 1.00 0.00 C ATOM 881 C SER A 64 -7.284 8.771 -1.061 1.00 0.00 C ATOM 882 O SER A 64 -7.416 7.684 -1.624 1.00 0.00 O ATOM 883 CB SER A 64 -8.215 10.099 -2.966 1.00 0.00 C ATOM 884 OG SER A 64 -8.698 11.413 -3.181 1.00 0.00 O ATOM 0 H SER A 64 -5.672 9.717 -3.274 1.00 0.00 H new ATOM 0 HA SER A 64 -7.353 10.905 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.777 9.714 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.045 9.441 -2.708 1.00 0.00 H new ATOM 0 HG SER A 64 -9.363 11.403 -3.901 1.00 0.00 H new ATOM 890 N PRO A 65 -7.232 8.882 0.275 1.00 0.00 N ATOM 891 CA PRO A 65 -7.327 7.725 1.170 1.00 0.00 C ATOM 892 C PRO A 65 -8.723 7.112 1.178 1.00 0.00 C ATOM 893 O PRO A 65 -8.999 6.182 1.935 1.00 0.00 O ATOM 894 CB PRO A 65 -6.992 8.311 2.544 1.00 0.00 C ATOM 895 CG PRO A 65 -7.353 9.753 2.439 1.00 0.00 C ATOM 896 CD PRO A 65 -7.075 10.146 1.014 1.00 0.00 C ATOM 0 HA PRO A 65 -6.663 6.916 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.559 7.818 3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.936 8.184 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.402 9.912 2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.764 10.354 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.773 10.906 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.072 10.557 0.899 1.00 0.00 H new ATOM 904 N ASP A 66 -9.601 7.639 0.331 1.00 0.00 N ATOM 905 CA ASP A 66 -10.969 7.143 0.239 1.00 0.00 C ATOM 906 C ASP A 66 -11.153 6.285 -1.009 1.00 0.00 C ATOM 907 O ASP A 66 -12.003 5.396 -1.043 1.00 0.00 O ATOM 908 CB ASP A 66 -11.958 8.310 0.221 1.00 0.00 C ATOM 909 CG ASP A 66 -11.991 9.020 -1.118 1.00 0.00 C ATOM 910 OD1 ASP A 66 -11.080 9.834 -1.380 1.00 0.00 O ATOM 911 OD2 ASP A 66 -12.927 8.763 -1.903 1.00 0.00 O ATOM 0 H ASP A 66 -9.389 8.410 -0.302 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.165 6.525 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.956 7.941 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.689 9.023 1.000 1.00 0.00 H new ATOM 916 N ALA A 67 -10.351 6.559 -2.033 1.00 0.00 N ATOM 917 CA ALA A 67 -10.425 5.812 -3.283 1.00 0.00 C ATOM 918 C ALA A 67 -9.555 4.561 -3.226 1.00 0.00 C ATOM 919 O ALA A 67 -8.922 4.188 -4.215 1.00 0.00 O ATOM 920 CB ALA A 67 -10.009 6.694 -4.450 1.00 0.00 C ATOM 0 H ALA A 67 -9.643 7.293 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.458 5.498 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.069 6.123 -5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.674 7.555 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.985 7.036 -4.300 1.00 0.00 H new ATOM 926 N LEU A 68 -9.527 3.917 -2.065 1.00 0.00 N ATOM 927 CA LEU A 68 -8.735 2.706 -1.879 1.00 0.00 C ATOM 928 C LEU A 68 -9.628 1.471 -1.838 1.00 0.00 C ATOM 929 O LEU A 68 -10.820 1.564 -1.546 1.00 0.00 O ATOM 930 CB LEU A 68 -7.917 2.802 -0.590 1.00 0.00 C ATOM 931 CG LEU A 68 -6.737 3.775 -0.614 1.00 0.00 C ATOM 932 CD1 LEU A 68 -6.183 3.977 0.788 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.650 3.273 -1.552 1.00 0.00 C ATOM 0 H LEU A 68 -10.044 4.213 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.057 2.611 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.586 3.093 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.538 1.809 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.092 4.737 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.344 4.672 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.963 4.383 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.844 3.021 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.819 3.978 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.298 2.299 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.053 3.182 -2.561 1.00 0.00 H new ATOM 945 N SER A 69 -9.042 0.314 -2.130 1.00 0.00 N ATOM 946 CA SER A 69 -9.785 -0.941 -2.128 1.00 0.00 C ATOM 947 C SER A 69 -9.872 -1.518 -0.718 1.00 0.00 C ATOM 948 O SER A 69 -9.679 -2.716 -0.512 1.00 0.00 O ATOM 949 CB SER A 69 -9.123 -1.952 -3.065 1.00 0.00 C ATOM 950 OG SER A 69 -9.269 -1.563 -4.420 1.00 0.00 O ATOM 0 H SER A 69 -8.055 0.220 -2.371 1.00 0.00 H new ATOM 0 HA SER A 69 -10.796 -0.737 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.064 -2.040 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.567 -2.936 -2.916 1.00 0.00 H new ATOM 0 HG SER A 69 -8.836 -2.225 -4.999 1.00 0.00 H new ATOM 956 N GLY A 70 -10.164 -0.656 0.251 1.00 0.00 N ATOM 957 CA GLY A 70 -10.271 -1.098 1.629 1.00 0.00 C ATOM 958 C GLY A 70 -11.060 -2.386 1.766 1.00 0.00 C ATOM 959 O GLY A 70 -10.498 -3.466 1.948 1.00 0.00 O ATOM 0 H GLY A 70 -10.328 0.340 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.272 -1.242 2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.749 -0.318 2.221 1.00 0.00 H new ATOM 963 N PRO A 71 -12.394 -2.279 1.680 1.00 0.00 N ATOM 964 CA PRO A 71 -13.290 -3.434 1.793 1.00 0.00 C ATOM 965 C PRO A 71 -13.188 -4.367 0.591 1.00 0.00 C ATOM 966 O PRO A 71 -12.521 -4.053 -0.395 1.00 0.00 O ATOM 967 CB PRO A 71 -14.681 -2.798 1.860 1.00 0.00 C ATOM 968 CG PRO A 71 -14.532 -1.486 1.172 1.00 0.00 C ATOM 969 CD PRO A 71 -13.131 -1.022 1.463 1.00 0.00 C ATOM 0 HA PRO A 71 -13.048 -4.055 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.426 -3.422 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.008 -2.669 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.694 -1.587 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.265 -0.768 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.716 -0.451 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.095 -0.378 2.342 1.00 0.00 H new ATOM 977 N SER A 72 -13.854 -5.513 0.680 1.00 0.00 N ATOM 978 CA SER A 72 -13.837 -6.493 -0.401 1.00 0.00 C ATOM 979 C SER A 72 -14.542 -5.950 -1.639 1.00 0.00 C ATOM 980 O SER A 72 -13.984 -5.952 -2.736 1.00 0.00 O ATOM 981 CB SER A 72 -14.503 -7.794 0.052 1.00 0.00 C ATOM 982 OG SER A 72 -14.217 -8.853 -0.845 1.00 0.00 O ATOM 0 H SER A 72 -14.412 -5.787 1.489 1.00 0.00 H new ATOM 0 HA SER A 72 -12.797 -6.696 -0.658 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.155 -8.056 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.581 -7.650 0.118 1.00 0.00 H new ATOM 0 HG SER A 72 -14.653 -9.673 -0.532 1.00 0.00 H new ATOM 988 N SER A 73 -15.774 -5.486 -1.454 1.00 0.00 N ATOM 989 CA SER A 73 -16.559 -4.943 -2.557 1.00 0.00 C ATOM 990 C SER A 73 -15.699 -4.057 -3.452 1.00 0.00 C ATOM 991 O SER A 73 -14.854 -3.303 -2.971 1.00 0.00 O ATOM 992 CB SER A 73 -17.747 -4.143 -2.018 1.00 0.00 C ATOM 993 OG SER A 73 -17.316 -3.110 -1.150 1.00 0.00 O ATOM 0 H SER A 73 -16.250 -5.475 -0.552 1.00 0.00 H new ATOM 0 HA SER A 73 -16.931 -5.777 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.307 -3.714 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.426 -4.809 -1.486 1.00 0.00 H new ATOM 0 HG SER A 73 -18.094 -2.613 -0.821 1.00 0.00 H new ATOM 999 N GLY A 74 -15.920 -4.153 -4.759 1.00 0.00 N ATOM 1000 CA GLY A 74 -15.158 -3.356 -5.703 1.00 0.00 C ATOM 1001 C GLY A 74 -15.939 -2.162 -6.216 1.00 0.00 C ATOM 1002 O GLY A 74 -17.013 -2.350 -6.786 1.00 0.00 O ATOM 0 H GLY A 74 -16.614 -4.769 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.242 -3.009 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.861 -3.981 -6.545 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 4.118 -3.931 2.826 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.706 6.690 -7.687 1.00 0.00 ZN