USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 30 THR OG1 : rot 59:sc= -0.498 USER MOD Set 1.2: A 41 TYR OH : rot 80:sc= -0.689 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= -0.0451 (180deg=-0.358) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= 0.114 F(o=-3.2!,f=0.11) USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 SER OG : rot -130:sc= -0.216 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.228) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.092 (180deg=-0.546) USER MOD Single : A 25 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.42) USER MOD Single : A 31 ASN : amide:sc= 0.342 K(o=0.34,f=-6.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 37 LYS NZ :NH3+ -134:sc= -0.0457 (180deg=-0.4) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 0.256 (180deg=-0.342) USER MOD Single : A 43 SER OG : rot -72:sc= -0.859 USER MOD Single : A 47 THR OG1 : rot 118:sc= 1.02 USER MOD Single : A 54 SER OG : rot 18:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.241 13.107 -0.291 1.00 0.00 N ATOM 2 CA MET A 1 -9.330 14.068 -0.620 1.00 0.00 C ATOM 3 C MET A 1 -9.654 13.931 -2.116 1.00 0.00 C ATOM 4 O MET A 1 -8.845 14.279 -2.954 1.00 0.00 O ATOM 5 CB MET A 1 -8.866 15.519 -0.301 1.00 0.00 C ATOM 6 CG MET A 1 -9.873 16.199 0.642 1.00 0.00 C ATOM 7 SD MET A 1 -9.512 17.902 1.141 1.00 0.00 S ATOM 8 CE MET A 1 -8.444 17.539 2.557 1.00 0.00 C ATOM 0 H1 MET A 1 -8.005 13.182 0.719 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.557 12.139 -0.501 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.399 13.328 -0.861 1.00 0.00 H new ATOM 0 HA MET A 1 -10.218 13.853 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.879 15.501 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.776 16.092 -1.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.850 16.187 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.956 15.592 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.111 18.473 3.010 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.000 16.957 3.292 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.577 16.969 2.222 1.00 0.00 H new ATOM 20 N LYS A 2 -10.833 13.423 -2.390 1.00 0.00 N ATOM 21 CA LYS A 2 -11.317 13.216 -3.795 1.00 0.00 C ATOM 22 C LYS A 2 -10.247 12.471 -4.619 1.00 0.00 C ATOM 23 O LYS A 2 -9.535 13.065 -5.407 1.00 0.00 O ATOM 24 CB LYS A 2 -11.640 14.612 -4.408 1.00 0.00 C ATOM 25 CG LYS A 2 -12.307 14.443 -5.799 1.00 0.00 C ATOM 26 CD LYS A 2 -12.589 15.821 -6.453 1.00 0.00 C ATOM 27 CE LYS A 2 -13.599 16.647 -5.625 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.878 15.898 -5.470 1.00 0.00 N ATOM 0 H LYS A 2 -11.501 13.134 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.218 12.603 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.303 15.165 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.725 15.196 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.658 13.855 -6.448 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.240 13.889 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.656 16.376 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.978 15.674 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.179 16.870 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.786 17.602 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.618 16.543 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.162 15.503 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.747 15.125 -4.786 1.00 0.00 H new ATOM 42 N ALA A 3 -10.187 11.181 -4.386 1.00 0.00 N ATOM 43 CA ALA A 3 -9.220 10.259 -5.072 1.00 0.00 C ATOM 44 C ALA A 3 -7.761 10.590 -4.706 1.00 0.00 C ATOM 45 O ALA A 3 -7.318 11.716 -4.834 1.00 0.00 O ATOM 46 CB ALA A 3 -9.394 10.354 -6.609 1.00 0.00 C ATOM 0 H ALA A 3 -10.796 10.708 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.438 9.246 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.688 9.682 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.411 10.070 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.205 11.377 -6.934 1.00 0.00 H new ATOM 52 N CYS A 4 -7.058 9.582 -4.258 1.00 0.00 N ATOM 53 CA CYS A 4 -5.628 9.738 -3.860 1.00 0.00 C ATOM 54 C CYS A 4 -4.716 9.936 -5.084 1.00 0.00 C ATOM 55 O CYS A 4 -5.175 9.962 -6.210 1.00 0.00 O ATOM 56 CB CYS A 4 -5.216 8.492 -3.117 1.00 0.00 C ATOM 57 SG CYS A 4 -6.082 8.018 -1.602 1.00 0.00 S ATOM 0 H CYS A 4 -7.424 8.636 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 4 -5.526 10.623 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.298 7.657 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.160 8.597 -2.868 1.00 0.00 H new ATOM 62 N THR A 5 -3.441 10.069 -4.809 1.00 0.00 N ATOM 63 CA THR A 5 -2.419 10.266 -5.876 1.00 0.00 C ATOM 64 C THR A 5 -2.119 8.887 -6.513 1.00 0.00 C ATOM 65 O THR A 5 -2.953 8.004 -6.466 1.00 0.00 O ATOM 66 CB THR A 5 -1.164 10.879 -5.207 1.00 0.00 C ATOM 67 OG1 THR A 5 -1.656 11.816 -4.256 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.446 11.802 -6.184 1.00 0.00 C ATOM 0 H THR A 5 -3.060 10.048 -3.863 1.00 0.00 H new ATOM 0 HA THR A 5 -2.760 10.937 -6.664 1.00 0.00 H new ATOM 0 HB THR A 5 -0.530 10.075 -4.832 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.903 12.240 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.435 12.227 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.141 11.235 -7.063 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.118 12.605 -6.486 1.00 0.00 H new ATOM 76 N LEU A 6 -0.949 8.737 -7.088 1.00 0.00 N ATOM 77 CA LEU A 6 -0.555 7.442 -7.740 1.00 0.00 C ATOM 78 C LEU A 6 0.916 7.076 -7.472 1.00 0.00 C ATOM 79 O LEU A 6 1.340 5.993 -7.827 1.00 0.00 O ATOM 80 CB LEU A 6 -0.778 7.555 -9.270 1.00 0.00 C ATOM 81 CG LEU A 6 -2.277 7.777 -9.630 1.00 0.00 C ATOM 82 CD1 LEU A 6 -2.388 8.048 -11.145 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.107 6.508 -9.306 1.00 0.00 C ATOM 0 H LEU A 6 -0.238 9.467 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.176 6.655 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.185 8.382 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.420 6.647 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.657 8.618 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.433 8.205 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.811 8.937 -11.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.998 7.193 -11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.152 6.681 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.725 5.666 -9.884 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.028 6.283 -8.242 1.00 0.00 H new ATOM 95 N ASN A 7 1.650 7.976 -6.860 1.00 0.00 N ATOM 96 CA ASN A 7 3.085 7.745 -6.545 1.00 0.00 C ATOM 97 C ASN A 7 3.339 6.450 -5.774 1.00 0.00 C ATOM 98 O ASN A 7 2.468 5.919 -5.115 1.00 0.00 O ATOM 99 CB ASN A 7 3.624 8.923 -5.719 1.00 0.00 C ATOM 100 CG ASN A 7 3.530 10.219 -6.534 1.00 0.00 C ATOM 101 OD1 ASN A 7 2.360 10.760 -6.730 1.00 0.00 O flip ATOM 102 ND2 ASN A 7 4.519 10.751 -6.998 1.00 0.00 N flip ATOM 0 H ASN A 7 1.297 8.885 -6.560 1.00 0.00 H new ATOM 0 HA ASN A 7 3.601 7.659 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.054 9.022 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.660 8.736 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.439 10.335 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.430 11.613 -7.535 1.00 0.00 H new ATOM 109 N CYS A 8 4.558 6.003 -5.895 1.00 0.00 N ATOM 110 CA CYS A 8 5.004 4.749 -5.217 1.00 0.00 C ATOM 111 C CYS A 8 5.428 4.953 -3.758 1.00 0.00 C ATOM 112 O CYS A 8 6.152 5.877 -3.440 1.00 0.00 O ATOM 113 CB CYS A 8 6.178 4.140 -6.010 1.00 0.00 C ATOM 114 SG CYS A 8 6.452 4.677 -7.717 1.00 0.00 S ATOM 0 H CYS A 8 5.281 6.464 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 8 4.145 4.078 -5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 8 7.092 4.340 -5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.042 3.059 -6.022 1.00 0.00 H new ATOM 119 N ASP A 9 4.948 4.065 -2.925 1.00 0.00 N ATOM 120 CA ASP A 9 5.259 4.102 -1.462 1.00 0.00 C ATOM 121 C ASP A 9 6.411 3.091 -1.239 1.00 0.00 C ATOM 122 O ASP A 9 6.222 1.919 -1.507 1.00 0.00 O ATOM 123 CB ASP A 9 3.974 3.704 -0.696 1.00 0.00 C ATOM 124 CG ASP A 9 4.120 3.645 0.843 1.00 0.00 C ATOM 125 OD1 ASP A 9 5.233 3.552 1.332 1.00 0.00 O ATOM 126 OD2 ASP A 9 3.070 3.698 1.462 1.00 0.00 O ATOM 0 H ASP A 9 4.338 3.297 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 9 5.568 5.085 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.187 4.416 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.645 2.728 -1.052 1.00 0.00 H new ATOM 131 N PRO A 10 7.554 3.545 -0.764 1.00 0.00 N ATOM 132 CA PRO A 10 8.810 2.730 -0.730 1.00 0.00 C ATOM 133 C PRO A 10 8.640 1.324 -0.146 1.00 0.00 C ATOM 134 O PRO A 10 9.146 0.360 -0.686 1.00 0.00 O ATOM 135 CB PRO A 10 9.824 3.556 0.075 1.00 0.00 C ATOM 136 CG PRO A 10 9.131 4.865 0.487 1.00 0.00 C ATOM 137 CD PRO A 10 7.761 4.916 -0.199 1.00 0.00 C ATOM 0 HA PRO A 10 9.144 2.540 -1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.155 3.004 0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.711 3.764 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.016 4.910 1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.735 5.724 0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.974 5.172 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.741 5.672 -0.984 1.00 0.00 H new ATOM 145 N ARG A 11 7.926 1.263 0.943 1.00 0.00 N ATOM 146 CA ARG A 11 7.679 -0.052 1.623 1.00 0.00 C ATOM 147 C ARG A 11 6.651 -0.912 0.869 1.00 0.00 C ATOM 148 O ARG A 11 6.674 -2.123 0.982 1.00 0.00 O ATOM 149 CB ARG A 11 7.178 0.192 3.067 1.00 0.00 C ATOM 150 CG ARG A 11 6.026 1.175 3.008 1.00 0.00 C ATOM 151 CD ARG A 11 5.168 1.154 4.255 1.00 0.00 C ATOM 152 NE ARG A 11 3.978 1.957 3.863 1.00 0.00 N ATOM 153 CZ ARG A 11 2.985 2.193 4.683 1.00 0.00 C ATOM 154 NH1 ARG A 11 3.008 1.726 5.903 1.00 0.00 N ATOM 155 NH2 ARG A 11 1.983 2.902 4.243 1.00 0.00 N ATOM 0 H ARG A 11 7.498 2.069 1.399 1.00 0.00 H new ATOM 0 HA ARG A 11 8.625 -0.594 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.855 -0.745 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.983 0.586 3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.420 2.181 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.405 0.947 2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.893 0.138 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.686 1.592 5.108 1.00 0.00 H new ATOM 0 HE ARG A 11 3.934 2.339 2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.803 1.173 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.231 1.914 6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.989 3.254 3.286 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.193 3.104 4.856 1.00 0.00 H new ATOM 169 N ILE A 12 5.786 -0.267 0.125 1.00 0.00 N ATOM 170 CA ILE A 12 4.740 -1.007 -0.650 1.00 0.00 C ATOM 171 C ILE A 12 5.265 -1.417 -2.027 1.00 0.00 C ATOM 172 O ILE A 12 6.005 -0.691 -2.662 1.00 0.00 O ATOM 173 CB ILE A 12 3.493 -0.120 -0.836 1.00 0.00 C ATOM 174 CG1 ILE A 12 2.964 0.213 0.578 1.00 0.00 C ATOM 175 CG2 ILE A 12 2.408 -0.884 -1.660 1.00 0.00 C ATOM 176 CD1 ILE A 12 1.665 0.985 0.522 1.00 0.00 C ATOM 0 H ILE A 12 5.759 0.747 0.020 1.00 0.00 H new ATOM 0 HA ILE A 12 4.480 -1.903 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 12 3.738 0.792 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.815 -0.710 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.710 0.796 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.532 -0.248 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.811 -1.144 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.123 -1.794 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.326 1.200 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.821 1.921 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.911 0.391 0.005 1.00 0.00 H new ATOM 188 N ALA A 13 4.843 -2.586 -2.426 1.00 0.00 N ATOM 189 CA ALA A 13 5.238 -3.156 -3.746 1.00 0.00 C ATOM 190 C ALA A 13 4.075 -2.905 -4.689 1.00 0.00 C ATOM 191 O ALA A 13 4.235 -2.277 -5.717 1.00 0.00 O ATOM 192 CB ALA A 13 5.473 -4.648 -3.614 1.00 0.00 C ATOM 0 H ALA A 13 4.225 -3.185 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 13 6.156 -2.698 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.761 -5.058 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.269 -4.828 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.558 -5.132 -3.273 1.00 0.00 H new ATOM 198 N TYR A 14 2.932 -3.412 -4.295 1.00 0.00 N ATOM 199 CA TYR A 14 1.717 -3.224 -5.148 1.00 0.00 C ATOM 200 C TYR A 14 0.439 -3.553 -4.398 1.00 0.00 C ATOM 201 O TYR A 14 0.474 -3.986 -3.264 1.00 0.00 O ATOM 202 CB TYR A 14 1.813 -4.126 -6.391 1.00 0.00 C ATOM 203 CG TYR A 14 1.832 -5.615 -6.010 1.00 0.00 C ATOM 204 CD1 TYR A 14 2.986 -6.216 -5.552 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.687 -6.376 -6.124 1.00 0.00 C ATOM 206 CE1 TYR A 14 3.001 -7.550 -5.214 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.702 -7.710 -5.786 1.00 0.00 C ATOM 208 CZ TYR A 14 1.856 -8.309 -5.329 1.00 0.00 C ATOM 209 OH TYR A 14 1.862 -9.647 -4.993 1.00 0.00 O ATOM 0 H TYR A 14 2.788 -3.940 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 14 1.680 -2.174 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.967 -3.929 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.716 -3.881 -6.950 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.890 -5.632 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.226 -5.922 -6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.914 -8.004 -4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.201 -8.294 -5.880 1.00 0.00 H new ATOM 0 HH TYR A 14 0.974 -9.908 -4.672 1.00 0.00 H new ATOM 219 N GLY A 15 -0.649 -3.331 -5.087 1.00 0.00 N ATOM 220 CA GLY A 15 -1.994 -3.599 -4.508 1.00 0.00 C ATOM 221 C GLY A 15 -2.847 -4.399 -5.482 1.00 0.00 C ATOM 222 O GLY A 15 -2.635 -4.353 -6.679 1.00 0.00 O ATOM 0 H GLY A 15 -0.660 -2.970 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.890 -4.148 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.489 -2.657 -4.272 1.00 0.00 H new ATOM 226 N VAL A 16 -3.790 -5.111 -4.920 1.00 0.00 N ATOM 227 CA VAL A 16 -4.713 -5.948 -5.758 1.00 0.00 C ATOM 228 C VAL A 16 -6.162 -5.692 -5.340 1.00 0.00 C ATOM 229 O VAL A 16 -6.563 -5.989 -4.232 1.00 0.00 O ATOM 230 CB VAL A 16 -4.335 -7.443 -5.571 1.00 0.00 C ATOM 231 CG1 VAL A 16 -5.436 -8.380 -6.129 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.028 -7.702 -6.339 1.00 0.00 C ATOM 0 H VAL A 16 -3.964 -5.152 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.614 -5.685 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.222 -7.649 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.139 -9.418 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.373 -8.193 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.571 -8.189 -7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.739 -8.747 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.177 -7.481 -7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.240 -7.062 -5.942 1.00 0.00 H new ATOM 242 N CYS A 17 -6.895 -5.141 -6.273 1.00 0.00 N ATOM 243 CA CYS A 17 -8.330 -4.814 -6.047 1.00 0.00 C ATOM 244 C CYS A 17 -9.253 -5.970 -6.480 1.00 0.00 C ATOM 245 O CYS A 17 -8.863 -6.774 -7.306 1.00 0.00 O ATOM 246 CB CYS A 17 -8.603 -3.533 -6.829 1.00 0.00 C ATOM 247 SG CYS A 17 -7.539 -2.137 -6.390 1.00 0.00 S ATOM 0 H CYS A 17 -6.549 -4.900 -7.202 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.538 -4.668 -4.987 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.486 -3.741 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.642 -3.243 -6.673 1.00 0.00 H new ATOM 252 N PRO A 18 -10.443 -6.036 -5.917 1.00 0.00 N ATOM 253 CA PRO A 18 -11.399 -7.149 -6.189 1.00 0.00 C ATOM 254 C PRO A 18 -11.697 -7.308 -7.689 1.00 0.00 C ATOM 255 O PRO A 18 -12.001 -6.348 -8.372 1.00 0.00 O ATOM 256 CB PRO A 18 -12.663 -6.827 -5.387 1.00 0.00 C ATOM 257 CG PRO A 18 -12.375 -5.571 -4.548 1.00 0.00 C ATOM 258 CD PRO A 18 -10.994 -5.034 -4.949 1.00 0.00 C ATOM 0 HA PRO A 18 -10.974 -8.106 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.507 -6.656 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.931 -7.664 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.141 -4.815 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.396 -5.811 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.074 -4.048 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.345 -4.930 -4.079 1.00 0.00 H new ATOM 266 N ARG A 19 -11.589 -8.536 -8.135 1.00 0.00 N ATOM 267 CA ARG A 19 -11.837 -8.909 -9.565 1.00 0.00 C ATOM 268 C ARG A 19 -11.032 -8.057 -10.561 1.00 0.00 C ATOM 269 O ARG A 19 -11.451 -7.819 -11.679 1.00 0.00 O ATOM 270 CB ARG A 19 -13.377 -8.781 -9.833 1.00 0.00 C ATOM 271 CG ARG A 19 -14.084 -10.137 -9.606 1.00 0.00 C ATOM 272 CD ARG A 19 -13.968 -10.565 -8.125 1.00 0.00 C ATOM 273 NE ARG A 19 -14.733 -11.837 -7.935 1.00 0.00 N ATOM 274 CZ ARG A 19 -16.037 -11.848 -7.798 1.00 0.00 C ATOM 275 NH1 ARG A 19 -16.720 -10.734 -7.822 1.00 0.00 N ATOM 276 NH2 ARG A 19 -16.626 -13.001 -7.636 1.00 0.00 N ATOM 0 H ARG A 19 -11.329 -9.325 -7.543 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.498 -9.933 -9.722 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.805 -8.027 -9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.547 -8.443 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.134 -10.058 -9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.639 -10.898 -10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.922 -10.708 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -14.363 -9.785 -7.474 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.225 -12.721 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.239 -9.843 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.734 -10.755 -7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.073 -13.858 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.639 -13.045 -7.526 1.00 0.00 H new ATOM 290 N SER A 20 -9.881 -7.625 -10.113 1.00 0.00 N ATOM 291 CA SER A 20 -8.990 -6.784 -10.974 1.00 0.00 C ATOM 292 C SER A 20 -7.852 -7.667 -11.495 1.00 0.00 C ATOM 293 O SER A 20 -6.683 -7.370 -11.344 1.00 0.00 O ATOM 294 CB SER A 20 -8.445 -5.617 -10.129 1.00 0.00 C ATOM 295 OG SER A 20 -9.614 -4.985 -9.629 1.00 0.00 O ATOM 0 H SER A 20 -9.516 -7.819 -9.181 1.00 0.00 H new ATOM 0 HA SER A 20 -9.534 -6.371 -11.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.806 -5.973 -9.321 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.847 -4.933 -10.731 1.00 0.00 H new ATOM 0 HG SER A 20 -9.562 -4.021 -9.798 1.00 0.00 H new ATOM 301 N GLU A 21 -8.274 -8.745 -12.107 1.00 0.00 N ATOM 302 CA GLU A 21 -7.354 -9.769 -12.707 1.00 0.00 C ATOM 303 C GLU A 21 -6.328 -10.345 -11.706 1.00 0.00 C ATOM 304 O GLU A 21 -5.467 -11.110 -12.097 1.00 0.00 O ATOM 305 CB GLU A 21 -6.585 -9.137 -13.911 1.00 0.00 C ATOM 306 CG GLU A 21 -7.553 -8.635 -15.019 1.00 0.00 C ATOM 307 CD GLU A 21 -8.388 -7.432 -14.531 1.00 0.00 C ATOM 308 OE1 GLU A 21 -7.780 -6.389 -14.347 1.00 0.00 O ATOM 309 OE2 GLU A 21 -9.583 -7.620 -14.368 1.00 0.00 O ATOM 0 H GLU A 21 -9.263 -8.968 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.985 -10.597 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.977 -8.305 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.902 -9.874 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.982 -8.349 -15.902 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.218 -9.445 -15.318 1.00 0.00 H new ATOM 316 N GLU A 22 -6.452 -9.968 -10.455 1.00 0.00 N ATOM 317 CA GLU A 22 -5.532 -10.440 -9.371 1.00 0.00 C ATOM 318 C GLU A 22 -4.058 -10.197 -9.759 1.00 0.00 C ATOM 319 O GLU A 22 -3.401 -11.056 -10.316 1.00 0.00 O ATOM 320 CB GLU A 22 -5.802 -11.958 -9.117 1.00 0.00 C ATOM 321 CG GLU A 22 -5.843 -12.212 -7.598 1.00 0.00 C ATOM 322 CD GLU A 22 -5.927 -13.722 -7.329 1.00 0.00 C ATOM 323 OE1 GLU A 22 -7.043 -14.219 -7.334 1.00 0.00 O ATOM 324 OE2 GLU A 22 -4.867 -14.295 -7.134 1.00 0.00 O ATOM 0 H GLU A 22 -7.179 -9.330 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.721 -9.878 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.746 -12.254 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.021 -12.562 -9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.952 -11.797 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.702 -11.706 -7.158 1.00 0.00 H new ATOM 331 N LYS A 23 -3.580 -9.016 -9.447 1.00 0.00 N ATOM 332 CA LYS A 23 -2.170 -8.646 -9.769 1.00 0.00 C ATOM 333 C LYS A 23 -1.155 -9.203 -8.742 1.00 0.00 C ATOM 334 O LYS A 23 -0.191 -8.541 -8.408 1.00 0.00 O ATOM 335 CB LYS A 23 -2.086 -7.081 -9.847 1.00 0.00 C ATOM 336 CG LYS A 23 -2.289 -6.594 -11.301 1.00 0.00 C ATOM 337 CD LYS A 23 -3.759 -6.819 -11.732 1.00 0.00 C ATOM 338 CE LYS A 23 -3.975 -6.294 -13.161 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.180 -7.100 -14.130 1.00 0.00 N ATOM 0 H LYS A 23 -4.115 -8.286 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.899 -9.095 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.844 -6.639 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.117 -6.745 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.036 -5.537 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.618 -7.132 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.002 -7.881 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.431 -6.308 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.033 -6.342 -13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.680 -5.246 -13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.507 -6.901 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.174 -6.850 -14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.304 -8.112 -13.924 1.00 0.00 H new ATOM 353 N LYS A 24 -1.396 -10.407 -8.271 1.00 0.00 N ATOM 354 CA LYS A 24 -0.478 -11.053 -7.272 1.00 0.00 C ATOM 355 C LYS A 24 0.660 -11.760 -8.031 1.00 0.00 C ATOM 356 O LYS A 24 0.928 -12.933 -7.853 1.00 0.00 O ATOM 357 CB LYS A 24 -1.276 -12.088 -6.418 1.00 0.00 C ATOM 358 CG LYS A 24 -2.614 -11.525 -5.885 1.00 0.00 C ATOM 359 CD LYS A 24 -2.388 -10.645 -4.631 1.00 0.00 C ATOM 360 CE LYS A 24 -1.966 -11.498 -3.414 1.00 0.00 C ATOM 361 NZ LYS A 24 -3.028 -12.493 -3.093 1.00 0.00 N ATOM 0 H LYS A 24 -2.199 -10.976 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.060 -10.298 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.475 -12.973 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.661 -12.408 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.100 -10.937 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.286 -12.347 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.619 -9.901 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.303 -10.101 -4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.028 -12.011 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.788 -10.854 -2.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.913 -12.820 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.963 -12.051 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.951 -13.304 -3.740 1.00 0.00 H new ATOM 375 N ASN A 25 1.290 -10.974 -8.862 1.00 0.00 N ATOM 376 CA ASN A 25 2.430 -11.410 -9.720 1.00 0.00 C ATOM 377 C ASN A 25 2.908 -10.174 -10.515 1.00 0.00 C ATOM 378 O ASN A 25 3.358 -10.281 -11.641 1.00 0.00 O ATOM 379 CB ASN A 25 1.935 -12.530 -10.676 1.00 0.00 C ATOM 380 CG ASN A 25 2.438 -13.899 -10.200 1.00 0.00 C ATOM 381 OD1 ASN A 25 1.669 -14.772 -9.847 1.00 0.00 O ATOM 382 ND2 ASN A 25 3.723 -14.127 -10.176 1.00 0.00 N ATOM 0 H ASN A 25 1.045 -9.992 -8.986 1.00 0.00 H new ATOM 0 HA ASN A 25 3.255 -11.806 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.846 -12.529 -10.715 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.290 -12.337 -11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.075 -15.032 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.375 -13.400 -10.470 1.00 0.00 H new ATOM 389 N ASP A 26 2.796 -9.025 -9.894 1.00 0.00 N ATOM 390 CA ASP A 26 3.214 -7.752 -10.548 1.00 0.00 C ATOM 391 C ASP A 26 3.448 -6.686 -9.475 1.00 0.00 C ATOM 392 O ASP A 26 2.522 -6.268 -8.806 1.00 0.00 O ATOM 393 CB ASP A 26 2.099 -7.299 -11.526 1.00 0.00 C ATOM 394 CG ASP A 26 2.708 -7.092 -12.920 1.00 0.00 C ATOM 395 OD1 ASP A 26 2.716 -8.065 -13.658 1.00 0.00 O ATOM 396 OD2 ASP A 26 3.133 -5.974 -13.165 1.00 0.00 O ATOM 0 H ASP A 26 2.427 -8.917 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 26 4.140 -7.899 -11.105 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.309 -8.048 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.643 -6.374 -11.174 1.00 0.00 H new ATOM 401 N ARG A 27 4.688 -6.287 -9.352 1.00 0.00 N ATOM 402 CA ARG A 27 5.062 -5.251 -8.347 1.00 0.00 C ATOM 403 C ARG A 27 5.080 -3.895 -9.070 1.00 0.00 C ATOM 404 O ARG A 27 6.059 -3.470 -9.651 1.00 0.00 O ATOM 405 CB ARG A 27 6.448 -5.647 -7.755 1.00 0.00 C ATOM 406 CG ARG A 27 7.083 -4.483 -6.940 1.00 0.00 C ATOM 407 CD ARG A 27 8.390 -3.996 -7.584 1.00 0.00 C ATOM 408 NE ARG A 27 9.381 -5.118 -7.482 1.00 0.00 N ATOM 409 CZ ARG A 27 10.636 -4.933 -7.150 1.00 0.00 C ATOM 410 NH1 ARG A 27 11.102 -3.741 -6.888 1.00 0.00 N ATOM 411 NH2 ARG A 27 11.404 -5.985 -7.086 1.00 0.00 N ATOM 0 H ARG A 27 5.464 -6.640 -9.912 1.00 0.00 H new ATOM 0 HA ARG A 27 4.357 -5.179 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.333 -6.520 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.120 -5.933 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.377 -3.655 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.280 -4.815 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.226 -3.721 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.762 -3.107 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 27 9.064 -6.067 -7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.486 -2.930 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.082 -3.622 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.022 -6.908 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.387 -5.884 -6.831 1.00 0.00 H new ATOM 425 N ILE A 28 3.933 -3.275 -8.986 1.00 0.00 N ATOM 426 CA ILE A 28 3.644 -1.945 -9.582 1.00 0.00 C ATOM 427 C ILE A 28 4.441 -0.880 -8.775 1.00 0.00 C ATOM 428 O ILE A 28 5.300 -1.232 -7.989 1.00 0.00 O ATOM 429 CB ILE A 28 2.091 -1.744 -9.502 1.00 0.00 C ATOM 430 CG1 ILE A 28 1.304 -3.080 -9.847 1.00 0.00 C ATOM 431 CG2 ILE A 28 1.656 -0.721 -10.572 1.00 0.00 C ATOM 432 CD1 ILE A 28 -0.194 -2.959 -9.496 1.00 0.00 C ATOM 0 H ILE A 28 3.133 -3.671 -8.492 1.00 0.00 H new ATOM 0 HA ILE A 28 3.949 -1.856 -10.625 1.00 0.00 H new ATOM 0 HB ILE A 28 1.866 -1.420 -8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.413 -3.305 -10.908 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.742 -3.914 -9.298 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.577 -0.578 -10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.157 0.230 -10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.926 -1.092 -11.561 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.702 -3.891 -9.745 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.303 -2.760 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.636 -2.141 -10.065 1.00 0.00 H new ATOM 444 N CYS A 29 4.156 0.385 -8.976 1.00 0.00 N ATOM 445 CA CYS A 29 4.874 1.474 -8.244 1.00 0.00 C ATOM 446 C CYS A 29 3.821 2.517 -7.815 1.00 0.00 C ATOM 447 O CYS A 29 3.744 3.600 -8.366 1.00 0.00 O ATOM 448 CB CYS A 29 5.915 2.058 -9.218 1.00 0.00 C ATOM 449 SG CYS A 29 7.289 3.050 -8.575 1.00 0.00 S ATOM 0 H CYS A 29 3.443 0.713 -9.628 1.00 0.00 H new ATOM 0 HA CYS A 29 5.390 1.127 -7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.347 1.224 -9.772 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.377 2.675 -9.938 1.00 0.00 H new ATOM 454 N THR A 30 3.032 2.149 -6.834 1.00 0.00 N ATOM 455 CA THR A 30 1.963 3.066 -6.318 1.00 0.00 C ATOM 456 C THR A 30 1.934 3.049 -4.767 1.00 0.00 C ATOM 457 O THR A 30 2.788 2.430 -4.159 1.00 0.00 O ATOM 458 CB THR A 30 0.634 2.585 -6.962 1.00 0.00 C ATOM 459 OG1 THR A 30 -0.345 3.531 -6.564 1.00 0.00 O ATOM 460 CG2 THR A 30 0.160 1.256 -6.373 1.00 0.00 C ATOM 0 H THR A 30 3.082 1.245 -6.364 1.00 0.00 H new ATOM 0 HA THR A 30 2.144 4.107 -6.587 1.00 0.00 H new ATOM 0 HB THR A 30 0.778 2.478 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.080 4.424 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.772 0.958 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.917 0.491 -6.545 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.003 1.371 -5.301 1.00 0.00 H new ATOM 468 N ASN A 31 0.970 3.717 -4.167 1.00 0.00 N ATOM 469 CA ASN A 31 0.884 3.752 -2.669 1.00 0.00 C ATOM 470 C ASN A 31 -0.470 3.292 -2.106 1.00 0.00 C ATOM 471 O ASN A 31 -1.450 3.192 -2.817 1.00 0.00 O ATOM 472 CB ASN A 31 1.212 5.209 -2.220 1.00 0.00 C ATOM 473 CG ASN A 31 0.275 6.253 -2.809 1.00 0.00 C ATOM 474 OD1 ASN A 31 -0.927 6.184 -2.682 1.00 0.00 O ATOM 475 ND2 ASN A 31 0.790 7.252 -3.458 1.00 0.00 N ATOM 0 H ASN A 31 0.240 4.239 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 31 1.601 3.037 -2.267 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.166 5.264 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.236 5.448 -2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.183 7.969 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.801 7.320 -3.571 1.00 0.00 H new ATOM 482 N CYS A 32 -0.454 3.029 -0.821 1.00 0.00 N ATOM 483 CA CYS A 32 -1.668 2.561 -0.075 1.00 0.00 C ATOM 484 C CYS A 32 -2.959 3.347 -0.333 1.00 0.00 C ATOM 485 O CYS A 32 -4.027 2.772 -0.433 1.00 0.00 O ATOM 486 CB CYS A 32 -1.358 2.591 1.445 1.00 0.00 C ATOM 487 SG CYS A 32 -2.777 2.407 2.555 1.00 0.00 S ATOM 0 H CYS A 32 0.378 3.123 -0.239 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.867 1.557 -0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.646 1.796 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.863 3.535 1.675 1.00 0.00 H new ATOM 492 N CYS A 33 -2.819 4.639 -0.433 1.00 0.00 N ATOM 493 CA CYS A 33 -3.992 5.531 -0.678 1.00 0.00 C ATOM 494 C CYS A 33 -4.470 5.467 -2.146 1.00 0.00 C ATOM 495 O CYS A 33 -5.655 5.507 -2.412 1.00 0.00 O ATOM 496 CB CYS A 33 -3.547 6.959 -0.285 1.00 0.00 C ATOM 497 SG CYS A 33 -4.714 8.339 -0.152 1.00 0.00 S ATOM 0 H CYS A 33 -1.926 5.125 -0.354 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.847 5.212 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.050 6.876 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.789 7.260 -1.008 1.00 0.00 H new ATOM 502 N ALA A 34 -3.526 5.348 -3.045 1.00 0.00 N ATOM 503 CA ALA A 34 -3.801 5.288 -4.515 1.00 0.00 C ATOM 504 C ALA A 34 -4.786 4.201 -4.918 1.00 0.00 C ATOM 505 O ALA A 34 -5.731 4.472 -5.636 1.00 0.00 O ATOM 506 CB ALA A 34 -2.476 5.072 -5.249 1.00 0.00 C ATOM 0 H ALA A 34 -2.535 5.288 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.267 6.234 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.658 5.026 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.800 5.899 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.024 4.137 -4.917 1.00 0.00 H new ATOM 512 N GLY A 35 -4.536 3.007 -4.448 1.00 0.00 N ATOM 513 CA GLY A 35 -5.439 1.865 -4.780 1.00 0.00 C ATOM 514 C GLY A 35 -6.888 2.180 -4.397 1.00 0.00 C ATOM 515 O GLY A 35 -7.114 3.017 -3.547 1.00 0.00 O ATOM 0 H GLY A 35 -3.745 2.773 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.380 1.649 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.107 0.970 -4.254 1.00 0.00 H new ATOM 519 N THR A 36 -7.818 1.507 -5.028 1.00 0.00 N ATOM 520 CA THR A 36 -9.268 1.746 -4.726 1.00 0.00 C ATOM 521 C THR A 36 -9.636 1.104 -3.381 1.00 0.00 C ATOM 522 O THR A 36 -8.824 0.468 -2.745 1.00 0.00 O ATOM 523 CB THR A 36 -10.150 1.124 -5.820 1.00 0.00 C ATOM 524 OG1 THR A 36 -9.429 1.239 -7.039 1.00 0.00 O ATOM 525 CG2 THR A 36 -11.413 1.973 -6.094 1.00 0.00 C ATOM 0 H THR A 36 -7.638 0.800 -5.741 1.00 0.00 H new ATOM 0 HA THR A 36 -9.435 2.822 -4.685 1.00 0.00 H new ATOM 0 HB THR A 36 -10.408 0.113 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.956 0.851 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.009 1.498 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.005 2.050 -5.182 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.117 2.970 -6.420 1.00 0.00 H new ATOM 533 N LYS A 37 -10.869 1.289 -2.994 1.00 0.00 N ATOM 534 CA LYS A 37 -11.363 0.719 -1.705 1.00 0.00 C ATOM 535 C LYS A 37 -11.525 -0.802 -1.868 1.00 0.00 C ATOM 536 O LYS A 37 -11.933 -1.275 -2.911 1.00 0.00 O ATOM 537 CB LYS A 37 -12.713 1.430 -1.369 1.00 0.00 C ATOM 538 CG LYS A 37 -13.713 0.508 -0.624 1.00 0.00 C ATOM 539 CD LYS A 37 -14.993 1.306 -0.298 1.00 0.00 C ATOM 540 CE LYS A 37 -15.995 0.406 0.450 1.00 0.00 C ATOM 541 NZ LYS A 37 -16.389 -0.751 -0.403 1.00 0.00 N ATOM 0 H LYS A 37 -11.564 1.817 -3.522 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.667 0.885 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.512 2.309 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.171 1.783 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.957 -0.357 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.263 0.129 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.745 2.175 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.443 1.680 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.549 0.047 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.879 0.983 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.421 -0.872 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.094 -0.575 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.927 -1.614 -0.052 1.00 0.00 H new ATOM 555 N GLY A 38 -11.194 -1.514 -0.819 1.00 0.00 N ATOM 556 CA GLY A 38 -11.302 -3.005 -0.834 1.00 0.00 C ATOM 557 C GLY A 38 -10.053 -3.696 -1.400 1.00 0.00 C ATOM 558 O GLY A 38 -9.952 -4.906 -1.326 1.00 0.00 O ATOM 0 H GLY A 38 -10.850 -1.120 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.477 -3.360 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.170 -3.294 -1.427 1.00 0.00 H new ATOM 562 N CYS A 39 -9.139 -2.930 -1.948 1.00 0.00 N ATOM 563 CA CYS A 39 -7.897 -3.528 -2.521 1.00 0.00 C ATOM 564 C CYS A 39 -6.982 -4.030 -1.395 1.00 0.00 C ATOM 565 O CYS A 39 -7.247 -3.798 -0.231 1.00 0.00 O ATOM 566 CB CYS A 39 -7.203 -2.450 -3.365 1.00 0.00 C ATOM 567 SG CYS A 39 -8.207 -1.549 -4.576 1.00 0.00 S ATOM 0 H CYS A 39 -9.203 -1.915 -2.022 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.136 -4.386 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.766 -1.721 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.378 -2.922 -3.899 1.00 0.00 H new ATOM 572 N LYS A 40 -5.934 -4.706 -1.790 1.00 0.00 N ATOM 573 CA LYS A 40 -4.949 -5.267 -0.811 1.00 0.00 C ATOM 574 C LYS A 40 -3.520 -4.851 -1.173 1.00 0.00 C ATOM 575 O LYS A 40 -2.963 -5.372 -2.118 1.00 0.00 O ATOM 576 CB LYS A 40 -5.052 -6.805 -0.818 1.00 0.00 C ATOM 577 CG LYS A 40 -6.503 -7.258 -0.534 1.00 0.00 C ATOM 578 CD LYS A 40 -6.608 -8.806 -0.538 1.00 0.00 C ATOM 579 CE LYS A 40 -6.164 -9.406 -1.897 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.923 -8.784 -3.019 1.00 0.00 N ATOM 0 H LYS A 40 -5.714 -4.897 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.180 -4.877 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.728 -7.192 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.382 -7.223 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.828 -6.870 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.173 -6.842 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.989 -9.215 0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.636 -9.102 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.096 -9.244 -2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.326 -10.484 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.848 -9.386 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.923 -8.687 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.528 -7.845 -3.227 1.00 0.00 H new ATOM 594 N TYR A 41 -2.981 -3.929 -0.414 1.00 0.00 N ATOM 595 CA TYR A 41 -1.597 -3.417 -0.631 1.00 0.00 C ATOM 596 C TYR A 41 -0.542 -4.145 0.205 1.00 0.00 C ATOM 597 O TYR A 41 -0.599 -4.107 1.418 1.00 0.00 O ATOM 598 CB TYR A 41 -1.536 -1.926 -0.273 1.00 0.00 C ATOM 599 CG TYR A 41 -1.833 -1.067 -1.491 1.00 0.00 C ATOM 600 CD1 TYR A 41 -0.978 -1.110 -2.568 1.00 0.00 C ATOM 601 CD2 TYR A 41 -2.932 -0.241 -1.533 1.00 0.00 C ATOM 602 CE1 TYR A 41 -1.213 -0.340 -3.675 1.00 0.00 C ATOM 603 CE2 TYR A 41 -3.169 0.534 -2.642 1.00 0.00 C ATOM 604 CZ TYR A 41 -2.309 0.490 -3.726 1.00 0.00 C ATOM 605 OH TYR A 41 -2.531 1.263 -4.847 1.00 0.00 O ATOM 0 H TYR A 41 -3.463 -3.497 0.374 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.371 -3.591 -1.683 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.255 -1.707 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.549 -1.681 0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.114 -1.757 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.610 -0.202 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.534 -0.384 -4.514 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.032 1.182 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.942 0.714 -5.547 1.00 0.00 H new ATOM 615 N PHE A 42 0.373 -4.783 -0.482 1.00 0.00 N ATOM 616 CA PHE A 42 1.485 -5.539 0.152 1.00 0.00 C ATOM 617 C PHE A 42 2.857 -5.086 -0.368 1.00 0.00 C ATOM 618 O PHE A 42 2.992 -4.607 -1.482 1.00 0.00 O ATOM 619 CB PHE A 42 1.333 -7.042 -0.133 1.00 0.00 C ATOM 620 CG PHE A 42 0.138 -7.396 -1.029 1.00 0.00 C ATOM 621 CD1 PHE A 42 0.072 -6.990 -2.350 1.00 0.00 C ATOM 622 CD2 PHE A 42 -0.892 -8.148 -0.500 1.00 0.00 C ATOM 623 CE1 PHE A 42 -1.017 -7.340 -3.121 1.00 0.00 C ATOM 624 CE2 PHE A 42 -1.976 -8.496 -1.270 1.00 0.00 C ATOM 625 CZ PHE A 42 -2.035 -8.093 -2.582 1.00 0.00 C ATOM 0 H PHE A 42 0.389 -4.808 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 42 1.433 -5.343 1.223 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.246 -7.405 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.232 -7.571 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.871 -6.401 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.845 -8.467 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -1.071 -7.022 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.777 -9.083 -0.846 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.883 -8.368 -3.192 1.00 0.00 H new ATOM 635 N SER A 43 3.813 -5.280 0.512 1.00 0.00 N ATOM 636 CA SER A 43 5.239 -4.945 0.291 1.00 0.00 C ATOM 637 C SER A 43 5.909 -5.837 -0.757 1.00 0.00 C ATOM 638 O SER A 43 5.303 -6.719 -1.336 1.00 0.00 O ATOM 639 CB SER A 43 5.957 -5.097 1.612 1.00 0.00 C ATOM 640 OG SER A 43 5.331 -4.199 2.511 1.00 0.00 O ATOM 0 H SER A 43 3.636 -5.685 1.431 1.00 0.00 H new ATOM 0 HA SER A 43 5.295 -3.925 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.889 -6.122 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.017 -4.866 1.507 1.00 0.00 H new ATOM 0 HG SER A 43 5.581 -3.280 2.282 1.00 0.00 H new ATOM 646 N ASP A 44 7.171 -5.549 -0.940 1.00 0.00 N ATOM 647 CA ASP A 44 8.033 -6.284 -1.921 1.00 0.00 C ATOM 648 C ASP A 44 8.591 -7.558 -1.287 1.00 0.00 C ATOM 649 O ASP A 44 8.720 -8.574 -1.943 1.00 0.00 O ATOM 650 CB ASP A 44 9.184 -5.341 -2.355 1.00 0.00 C ATOM 651 CG ASP A 44 9.395 -5.397 -3.881 1.00 0.00 C ATOM 652 OD1 ASP A 44 9.688 -6.477 -4.369 1.00 0.00 O ATOM 653 OD2 ASP A 44 9.251 -4.341 -4.476 1.00 0.00 O ATOM 0 H ASP A 44 7.658 -4.810 -0.434 1.00 0.00 H new ATOM 0 HA ASP A 44 7.446 -6.577 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.956 -4.319 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.105 -5.626 -1.846 1.00 0.00 H new ATOM 658 N ASP A 45 8.904 -7.450 -0.022 1.00 0.00 N ATOM 659 CA ASP A 45 9.464 -8.607 0.741 1.00 0.00 C ATOM 660 C ASP A 45 8.376 -9.639 1.092 1.00 0.00 C ATOM 661 O ASP A 45 8.669 -10.647 1.706 1.00 0.00 O ATOM 662 CB ASP A 45 10.122 -8.065 2.025 1.00 0.00 C ATOM 663 CG ASP A 45 9.059 -7.407 2.924 1.00 0.00 C ATOM 664 OD1 ASP A 45 8.734 -6.263 2.652 1.00 0.00 O ATOM 665 OD2 ASP A 45 8.631 -8.093 3.837 1.00 0.00 O ATOM 0 H ASP A 45 8.794 -6.595 0.524 1.00 0.00 H new ATOM 0 HA ASP A 45 10.200 -9.120 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.613 -8.876 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.894 -7.339 1.769 1.00 0.00 H new ATOM 670 N GLY A 46 7.156 -9.362 0.698 1.00 0.00 N ATOM 671 CA GLY A 46 6.029 -10.277 0.977 1.00 0.00 C ATOM 672 C GLY A 46 5.519 -10.061 2.398 1.00 0.00 C ATOM 673 O GLY A 46 5.627 -10.930 3.243 1.00 0.00 O ATOM 0 H GLY A 46 6.899 -8.519 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.224 -10.103 0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.350 -11.311 0.851 1.00 0.00 H new ATOM 677 N THR A 47 4.974 -8.888 2.601 1.00 0.00 N ATOM 678 CA THR A 47 4.417 -8.479 3.908 1.00 0.00 C ATOM 679 C THR A 47 3.332 -7.422 3.677 1.00 0.00 C ATOM 680 O THR A 47 3.610 -6.309 3.274 1.00 0.00 O ATOM 681 CB THR A 47 5.552 -7.910 4.773 1.00 0.00 C ATOM 682 OG1 THR A 47 6.371 -9.028 5.084 1.00 0.00 O ATOM 683 CG2 THR A 47 5.058 -7.404 6.143 1.00 0.00 C ATOM 0 H THR A 47 4.894 -8.174 1.877 1.00 0.00 H new ATOM 0 HA THR A 47 3.973 -9.332 4.422 1.00 0.00 H new ATOM 0 HB THR A 47 6.029 -7.091 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.267 -8.891 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.901 -7.013 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.322 -6.613 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.601 -8.227 6.692 1.00 0.00 H new ATOM 691 N PHE A 48 2.119 -7.826 3.952 1.00 0.00 N ATOM 692 CA PHE A 48 0.931 -6.936 3.788 1.00 0.00 C ATOM 693 C PHE A 48 1.081 -5.597 4.531 1.00 0.00 C ATOM 694 O PHE A 48 1.447 -5.561 5.689 1.00 0.00 O ATOM 695 CB PHE A 48 -0.299 -7.703 4.299 1.00 0.00 C ATOM 696 CG PHE A 48 -1.547 -6.818 4.180 1.00 0.00 C ATOM 697 CD1 PHE A 48 -2.247 -6.734 2.990 1.00 0.00 C ATOM 698 CD2 PHE A 48 -1.979 -6.090 5.274 1.00 0.00 C ATOM 699 CE1 PHE A 48 -3.363 -5.933 2.899 1.00 0.00 C ATOM 700 CE2 PHE A 48 -3.093 -5.290 5.182 1.00 0.00 C ATOM 701 CZ PHE A 48 -3.783 -5.213 3.996 1.00 0.00 C ATOM 0 H PHE A 48 1.897 -8.761 4.293 1.00 0.00 H new ATOM 0 HA PHE A 48 0.825 -6.680 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.434 -8.618 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.149 -7.999 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.917 -7.298 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.438 -6.151 6.206 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.908 -5.869 1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.425 -4.723 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.659 -4.585 3.924 1.00 0.00 H new ATOM 711 N VAL A 49 0.785 -4.543 3.810 1.00 0.00 N ATOM 712 CA VAL A 49 0.870 -3.155 4.365 1.00 0.00 C ATOM 713 C VAL A 49 -0.510 -2.552 4.693 1.00 0.00 C ATOM 714 O VAL A 49 -0.730 -2.187 5.833 1.00 0.00 O ATOM 715 CB VAL A 49 1.598 -2.245 3.338 1.00 0.00 C ATOM 716 CG1 VAL A 49 1.789 -0.823 3.926 1.00 0.00 C ATOM 717 CG2 VAL A 49 2.976 -2.847 3.030 1.00 0.00 C ATOM 0 H VAL A 49 0.481 -4.588 2.837 1.00 0.00 H new ATOM 0 HA VAL A 49 1.423 -3.212 5.302 1.00 0.00 H new ATOM 0 HB VAL A 49 1.000 -2.179 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.300 -0.194 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.815 -0.392 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.386 -0.883 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.496 -2.216 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.560 -2.907 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.852 -3.846 2.613 1.00 0.00 H new ATOM 727 N CYS A 50 -1.403 -2.453 3.732 1.00 0.00 N ATOM 728 CA CYS A 50 -2.749 -1.862 4.043 1.00 0.00 C ATOM 729 C CYS A 50 -3.714 -2.312 2.960 1.00 0.00 C ATOM 730 O CYS A 50 -3.347 -3.063 2.086 1.00 0.00 O ATOM 731 CB CYS A 50 -2.716 -0.315 4.007 1.00 0.00 C ATOM 732 SG CYS A 50 -3.241 0.445 2.444 1.00 0.00 S ATOM 0 H CYS A 50 -1.264 -2.749 2.766 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.047 -2.189 5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.354 0.063 4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.700 0.014 4.227 1.00 0.00 H new ATOM 737 N GLU A 51 -4.925 -1.839 3.072 1.00 0.00 N ATOM 738 CA GLU A 51 -5.997 -2.155 2.099 1.00 0.00 C ATOM 739 C GLU A 51 -6.180 -0.843 1.307 1.00 0.00 C ATOM 740 O GLU A 51 -6.163 0.216 1.907 1.00 0.00 O ATOM 741 CB GLU A 51 -7.305 -2.496 2.836 1.00 0.00 C ATOM 742 CG GLU A 51 -7.085 -3.055 4.259 1.00 0.00 C ATOM 743 CD GLU A 51 -8.458 -3.309 4.907 1.00 0.00 C ATOM 744 OE1 GLU A 51 -8.969 -4.397 4.690 1.00 0.00 O ATOM 745 OE2 GLU A 51 -8.918 -2.402 5.582 1.00 0.00 O ATOM 0 H GLU A 51 -5.221 -1.223 3.829 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.749 -3.009 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.922 -1.599 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.863 -3.226 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.510 -3.980 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.509 -2.349 4.858 1.00 0.00 H new ATOM 752 N GLY A 52 -6.345 -0.923 0.009 1.00 0.00 N ATOM 753 CA GLY A 52 -6.530 0.326 -0.813 1.00 0.00 C ATOM 754 C GLY A 52 -7.686 1.214 -0.300 1.00 0.00 C ATOM 755 O GLY A 52 -8.451 0.799 0.551 1.00 0.00 O ATOM 0 H GLY A 52 -6.360 -1.795 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.604 0.902 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.723 0.048 -1.849 1.00 0.00 H new ATOM 759 N GLU A 53 -7.789 2.407 -0.839 1.00 0.00 N ATOM 760 CA GLU A 53 -8.869 3.354 -0.407 1.00 0.00 C ATOM 761 C GLU A 53 -9.044 4.538 -1.383 1.00 0.00 C ATOM 762 O GLU A 53 -9.026 5.683 -0.973 1.00 0.00 O ATOM 763 CB GLU A 53 -8.505 3.854 1.024 1.00 0.00 C ATOM 764 CG GLU A 53 -7.074 4.450 1.020 1.00 0.00 C ATOM 765 CD GLU A 53 -6.681 4.871 2.442 1.00 0.00 C ATOM 766 OE1 GLU A 53 -7.003 5.997 2.785 1.00 0.00 O ATOM 767 OE2 GLU A 53 -6.079 4.041 3.106 1.00 0.00 O ATOM 0 H GLU A 53 -7.168 2.767 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.827 2.834 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.222 4.607 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.564 3.029 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.365 3.714 0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.030 5.310 0.351 1.00 0.00 H new ATOM 774 N SER A 54 -9.210 4.213 -2.643 1.00 0.00 N ATOM 775 CA SER A 54 -9.398 5.228 -3.744 1.00 0.00 C ATOM 776 C SER A 54 -8.489 6.484 -3.665 1.00 0.00 C ATOM 777 O SER A 54 -7.454 6.403 -4.307 1.00 0.00 O ATOM 778 CB SER A 54 -10.913 5.634 -3.761 1.00 0.00 C ATOM 779 OG SER A 54 -11.224 6.120 -2.462 1.00 0.00 O ATOM 0 H SER A 54 -9.224 3.247 -2.971 1.00 0.00 H new ATOM 0 HA SER A 54 -9.089 4.750 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.099 6.399 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.539 4.778 -4.014 1.00 0.00 H new ATOM 0 HG SER A 54 -10.395 6.346 -1.990 1.00 0.00 H new TER 785 SER A 54