USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 518 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 29 GLN : amide:sc= -3.99! C(o=-4.8!,f=-14!) USER MOD Set 1.2: A 64 HIS :FLIP no HD1:sc= -0.758 F(o=-5.3,f=-4.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.0352 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 176:sc= -5.56! (180deg=-5.79!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.000795 K(o=-0.00079,f=-0.98) USER MOD Single : A 49 SER OG : rot -56:sc= 0.13 USER MOD Single : A 50 ASN : amide:sc= -2.57! C(o=-2.6!,f=-3.2!) USER MOD Single : A 57 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 59 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.084) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.228 (180deg=-0.841) 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 44:sc= 0.41 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.163 -8.448 7.987 1.00 0.00 N ATOM 2 CA GLY A 1 -43.795 -8.494 6.681 1.00 0.00 C ATOM 3 C GLY A 1 -42.998 -7.754 5.625 1.00 0.00 C ATOM 4 O GLY A 1 -42.715 -6.565 5.771 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.746 -8.968 8.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.221 -8.885 7.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.068 -7.458 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.918 -9.533 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.793 -8.061 6.748 1.00 0.00 H new ATOM 8 N SER A 2 -42.632 -8.460 4.560 1.00 0.00 N ATOM 9 CA SER A 2 -41.858 -7.864 3.477 1.00 0.00 C ATOM 10 C SER A 2 -42.774 -7.369 2.363 1.00 0.00 C ATOM 11 O SER A 2 -43.654 -8.094 1.899 1.00 0.00 O ATOM 12 CB SER A 2 -40.859 -8.879 2.918 1.00 0.00 C ATOM 13 OG SER A 2 -41.500 -10.100 2.593 1.00 0.00 O ATOM 0 H SER A 2 -42.859 -9.445 4.424 1.00 0.00 H new ATOM 0 HA SER A 2 -41.312 -7.011 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.378 -8.469 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.073 -9.061 3.651 1.00 0.00 H new ATOM 0 HG SER A 2 -42.385 -9.914 2.216 1.00 0.00 H new ATOM 19 N SER A 3 -42.560 -6.128 1.937 1.00 0.00 N ATOM 20 CA SER A 3 -43.369 -5.532 0.880 1.00 0.00 C ATOM 21 C SER A 3 -42.724 -5.752 -0.485 1.00 0.00 C ATOM 22 O SER A 3 -43.361 -6.252 -1.411 1.00 0.00 O ATOM 23 CB SER A 3 -43.555 -4.035 1.133 1.00 0.00 C ATOM 24 OG SER A 3 -44.389 -3.807 2.256 1.00 0.00 O ATOM 0 H SER A 3 -41.833 -5.516 2.308 1.00 0.00 H new ATOM 0 HA SER A 3 -44.345 -6.018 0.885 1.00 0.00 H new ATOM 0 HB2 SER A 3 -42.584 -3.567 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 3 -43.991 -3.565 0.251 1.00 0.00 H new ATOM 0 HG SER A 3 -44.491 -2.843 2.398 1.00 0.00 H new ATOM 30 N GLY A 4 -41.455 -5.374 -0.602 1.00 0.00 N ATOM 31 CA GLY A 4 -40.745 -5.537 -1.857 1.00 0.00 C ATOM 32 C GLY A 4 -39.978 -4.292 -2.256 1.00 0.00 C ATOM 33 O GLY A 4 -40.452 -3.497 -3.067 1.00 0.00 O ATOM 0 H GLY A 4 -40.906 -4.958 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.053 -6.375 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.457 -5.789 -2.643 1.00 0.00 H new ATOM 37 N SER A 5 -38.791 -4.120 -1.683 1.00 0.00 N ATOM 38 CA SER A 5 -37.960 -2.959 -1.979 1.00 0.00 C ATOM 39 C SER A 5 -36.598 -3.389 -2.516 1.00 0.00 C ATOM 40 O SER A 5 -35.848 -4.096 -1.843 1.00 0.00 O ATOM 41 CB SER A 5 -37.779 -2.102 -0.725 1.00 0.00 C ATOM 42 OG SER A 5 -38.960 -1.376 -0.429 1.00 0.00 O ATOM 0 H SER A 5 -38.383 -4.770 -1.011 1.00 0.00 H new ATOM 0 HA SER A 5 -38.463 -2.368 -2.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.518 -2.739 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.950 -1.410 -0.870 1.00 0.00 H new ATOM 0 HG SER A 5 -38.819 -0.837 0.378 1.00 0.00 H new ATOM 48 N SER A 6 -36.286 -2.957 -3.734 1.00 0.00 N ATOM 49 CA SER A 6 -35.016 -3.299 -4.364 1.00 0.00 C ATOM 50 C SER A 6 -33.875 -3.244 -3.353 1.00 0.00 C ATOM 51 O SER A 6 -33.814 -2.343 -2.517 1.00 0.00 O ATOM 52 CB SER A 6 -34.728 -2.348 -5.527 1.00 0.00 C ATOM 53 OG SER A 6 -34.831 -0.996 -5.118 1.00 0.00 O ATOM 0 H SER A 6 -36.895 -2.370 -4.304 1.00 0.00 H new ATOM 0 HA SER A 6 -35.091 -4.317 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.728 -2.538 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.429 -2.540 -6.340 1.00 0.00 H new ATOM 0 HG SER A 6 -34.641 -0.409 -5.879 1.00 0.00 H new ATOM 59 N GLY A 7 -32.972 -4.217 -3.435 1.00 0.00 N ATOM 60 CA GLY A 7 -31.845 -4.262 -2.522 1.00 0.00 C ATOM 61 C GLY A 7 -30.569 -3.740 -3.150 1.00 0.00 C ATOM 62 O GLY A 7 -30.252 -4.070 -4.293 1.00 0.00 O ATOM 0 H GLY A 7 -33.001 -4.975 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.077 -3.673 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.690 -5.289 -2.192 1.00 0.00 H new ATOM 66 N ARG A 8 -29.835 -2.922 -2.403 1.00 0.00 N ATOM 67 CA ARG A 8 -28.587 -2.351 -2.895 1.00 0.00 C ATOM 68 C ARG A 8 -27.426 -3.319 -2.686 1.00 0.00 C ATOM 69 O ARG A 8 -27.560 -4.321 -1.984 1.00 0.00 O ATOM 70 CB ARG A 8 -28.294 -1.027 -2.189 1.00 0.00 C ATOM 71 CG ARG A 8 -27.964 -1.183 -0.713 1.00 0.00 C ATOM 72 CD ARG A 8 -27.456 0.119 -0.115 1.00 0.00 C ATOM 73 NE ARG A 8 -28.546 0.953 0.385 1.00 0.00 N ATOM 74 CZ ARG A 8 -29.101 1.935 -0.317 1.00 0.00 C ATOM 75 NH1 ARG A 8 -28.671 2.204 -1.542 1.00 0.00 N ATOM 76 NH2 ARG A 8 -30.089 2.650 0.206 1.00 0.00 N ATOM 0 H ARG A 8 -30.083 -2.640 -1.455 1.00 0.00 H new ATOM 0 HA ARG A 8 -28.697 -2.168 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -27.460 -0.535 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -29.158 -0.371 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -28.853 -1.510 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -27.210 -1.961 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.765 -0.101 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.895 0.670 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 8 -28.900 0.772 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -27.912 1.656 -1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.099 2.959 -2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -30.423 2.446 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.514 3.404 -0.334 1.00 0.00 H new ATOM 90 N GLU A 9 -26.288 -3.012 -3.301 1.00 0.00 N ATOM 91 CA GLU A 9 -25.105 -3.857 -3.183 1.00 0.00 C ATOM 92 C GLU A 9 -24.306 -3.502 -1.932 1.00 0.00 C ATOM 93 O GLU A 9 -23.941 -2.344 -1.721 1.00 0.00 O ATOM 94 CB GLU A 9 -24.222 -3.712 -4.424 1.00 0.00 C ATOM 95 CG GLU A 9 -23.515 -2.369 -4.515 1.00 0.00 C ATOM 96 CD GLU A 9 -22.645 -2.251 -5.751 1.00 0.00 C ATOM 97 OE1 GLU A 9 -22.260 -3.300 -6.308 1.00 0.00 O ATOM 98 OE2 GLU A 9 -22.349 -1.109 -6.161 1.00 0.00 O ATOM 0 H GLU A 9 -26.160 -2.186 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.436 -4.892 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.476 -4.507 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.835 -3.851 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.258 -1.571 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -22.900 -2.226 -3.627 1.00 0.00 H new ATOM 105 N THR A 10 -24.038 -4.506 -1.103 1.00 0.00 N ATOM 106 CA THR A 10 -23.284 -4.301 0.127 1.00 0.00 C ATOM 107 C THR A 10 -23.033 -5.622 0.845 1.00 0.00 C ATOM 108 O THR A 10 -23.949 -6.426 1.024 1.00 0.00 O ATOM 109 CB THR A 10 -24.020 -3.342 1.083 1.00 0.00 C ATOM 110 OG1 THR A 10 -23.449 -3.425 2.394 1.00 0.00 O ATOM 111 CG2 THR A 10 -25.503 -3.675 1.148 1.00 0.00 C ATOM 0 H THR A 10 -24.332 -5.470 -1.261 1.00 0.00 H new ATOM 0 HA THR A 10 -22.329 -3.858 -0.157 1.00 0.00 H new ATOM 0 HB THR A 10 -23.909 -2.327 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.921 -2.812 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 10 -26.001 -2.985 1.829 1.00 0.00 H new ATOM 0 HG22 THR A 10 -25.940 -3.583 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.631 -4.696 1.508 1.00 0.00 H new ATOM 119 N TYR A 11 -21.789 -5.841 1.254 1.00 0.00 N ATOM 120 CA TYR A 11 -21.417 -7.066 1.951 1.00 0.00 C ATOM 121 C TYR A 11 -20.502 -6.764 3.134 1.00 0.00 C ATOM 122 O TYR A 11 -19.769 -5.775 3.148 1.00 0.00 O ATOM 123 CB TYR A 11 -20.724 -8.034 0.990 1.00 0.00 C ATOM 124 CG TYR A 11 -21.623 -8.535 -0.118 1.00 0.00 C ATOM 125 CD1 TYR A 11 -22.072 -7.679 -1.116 1.00 0.00 C ATOM 126 CD2 TYR A 11 -22.022 -9.865 -0.166 1.00 0.00 C ATOM 127 CE1 TYR A 11 -22.894 -8.133 -2.129 1.00 0.00 C ATOM 128 CE2 TYR A 11 -22.843 -10.328 -1.177 1.00 0.00 C ATOM 129 CZ TYR A 11 -23.276 -9.458 -2.156 1.00 0.00 C ATOM 130 OH TYR A 11 -24.094 -9.914 -3.164 1.00 0.00 O ATOM 0 H TYR A 11 -21.020 -5.185 1.115 1.00 0.00 H new ATOM 0 HA TYR A 11 -22.328 -7.529 2.329 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -19.860 -7.538 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -20.348 -8.887 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -21.773 -6.641 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -21.685 -10.548 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -23.236 -7.454 -2.896 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -23.144 -11.365 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 11 -24.268 -10.870 -3.037 1.00 0.00 H new ATOM 140 N PRO A 12 -20.545 -7.637 4.151 1.00 0.00 N ATOM 141 CA PRO A 12 -19.727 -7.487 5.358 1.00 0.00 C ATOM 142 C PRO A 12 -18.245 -7.726 5.087 1.00 0.00 C ATOM 143 O PRO A 12 -17.399 -6.905 5.441 1.00 0.00 O ATOM 144 CB PRO A 12 -20.278 -8.563 6.297 1.00 0.00 C ATOM 145 CG PRO A 12 -20.867 -9.590 5.392 1.00 0.00 C ATOM 146 CD PRO A 12 -21.396 -8.838 4.202 1.00 0.00 C ATOM 0 HA PRO A 12 -19.783 -6.477 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.489 -8.988 6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -21.029 -8.153 6.972 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.117 -10.321 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.664 -10.140 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.317 -9.426 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.448 -8.580 4.325 1.00 0.00 H new ATOM 154 N ASP A 13 -17.938 -8.854 4.457 1.00 0.00 N ATOM 155 CA ASP A 13 -16.558 -9.200 4.137 1.00 0.00 C ATOM 156 C ASP A 13 -16.445 -9.715 2.705 1.00 0.00 C ATOM 157 O ASP A 13 -15.754 -10.698 2.441 1.00 0.00 O ATOM 158 CB ASP A 13 -16.035 -10.254 5.113 1.00 0.00 C ATOM 159 CG ASP A 13 -16.249 -9.859 6.561 1.00 0.00 C ATOM 160 OD1 ASP A 13 -15.922 -8.707 6.916 1.00 0.00 O ATOM 161 OD2 ASP A 13 -16.742 -10.702 7.340 1.00 0.00 O ATOM 0 H ASP A 13 -18.626 -9.545 4.158 1.00 0.00 H new ATOM 0 HA ASP A 13 -15.953 -8.298 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.535 -11.203 4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -14.971 -10.413 4.936 1.00 0.00 H new ATOM 166 N ALA A 14 -17.130 -9.044 1.784 1.00 0.00 N ATOM 167 CA ALA A 14 -17.106 -9.433 0.380 1.00 0.00 C ATOM 168 C ALA A 14 -16.921 -8.218 -0.523 1.00 0.00 C ATOM 169 O ALA A 14 -17.489 -8.150 -1.613 1.00 0.00 O ATOM 170 CB ALA A 14 -18.383 -10.174 0.015 1.00 0.00 C ATOM 0 H ALA A 14 -17.708 -8.228 1.986 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.257 -10.099 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.351 -10.458 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.473 -11.069 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.242 -9.526 0.190 1.00 0.00 H new ATOM 176 N VAL A 15 -16.124 -7.259 -0.062 1.00 0.00 N ATOM 177 CA VAL A 15 -15.864 -6.046 -0.828 1.00 0.00 C ATOM 178 C VAL A 15 -14.431 -5.567 -0.630 1.00 0.00 C ATOM 179 O VAL A 15 -13.633 -6.220 0.044 1.00 0.00 O ATOM 180 CB VAL A 15 -16.831 -4.915 -0.432 1.00 0.00 C ATOM 181 CG1 VAL A 15 -18.275 -5.376 -0.560 1.00 0.00 C ATOM 182 CG2 VAL A 15 -16.539 -4.435 0.981 1.00 0.00 C ATOM 0 H VAL A 15 -15.647 -7.299 0.839 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.018 -6.295 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.681 -4.078 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.943 -4.563 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -18.474 -5.666 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.444 -6.230 0.096 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.232 -3.636 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.659 -5.264 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.517 -4.061 1.034 1.00 0.00 H new ATOM 192 N LYS A 16 -14.108 -4.422 -1.221 1.00 0.00 N ATOM 193 CA LYS A 16 -12.771 -3.853 -1.109 1.00 0.00 C ATOM 194 C LYS A 16 -12.462 -3.468 0.334 1.00 0.00 C ATOM 195 O LYS A 16 -12.708 -2.335 0.750 1.00 0.00 O ATOM 196 CB LYS A 16 -12.639 -2.626 -2.014 1.00 0.00 C ATOM 197 CG LYS A 16 -12.643 -2.960 -3.496 1.00 0.00 C ATOM 198 CD LYS A 16 -14.058 -3.061 -4.040 1.00 0.00 C ATOM 199 CE LYS A 16 -14.870 -1.816 -3.717 1.00 0.00 C ATOM 200 NZ LYS A 16 -16.020 -1.647 -4.648 1.00 0.00 N ATOM 0 H LYS A 16 -14.755 -3.869 -1.783 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.054 -4.610 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.459 -1.939 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.714 -2.103 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.095 -2.194 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.121 -3.903 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.024 -3.204 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.550 -3.937 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.238 -1.878 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.226 -0.938 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.548 -0.788 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.668 -1.562 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -16.648 -2.473 -4.577 1.00 0.00 H new ATOM 214 N ILE A 17 -11.922 -4.416 1.092 1.00 0.00 N ATOM 215 CA ILE A 17 -11.578 -4.174 2.488 1.00 0.00 C ATOM 216 C ILE A 17 -10.066 -4.108 2.678 1.00 0.00 C ATOM 217 O ILE A 17 -9.319 -4.874 2.068 1.00 0.00 O ATOM 218 CB ILE A 17 -12.152 -5.269 3.407 1.00 0.00 C ATOM 219 CG1 ILE A 17 -13.669 -5.364 3.236 1.00 0.00 C ATOM 220 CG2 ILE A 17 -11.793 -4.984 4.858 1.00 0.00 C ATOM 221 CD1 ILE A 17 -14.414 -4.161 3.770 1.00 0.00 C ATOM 0 H ILE A 17 -11.713 -5.359 0.763 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.018 -3.215 2.760 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.713 -6.226 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.900 -5.484 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.028 -6.259 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.205 -5.766 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.709 -4.961 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.207 -4.020 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.484 -4.298 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.213 -4.052 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.083 -3.265 3.245 1.00 0.00 H new ATOM 233 N CYS A 18 -9.622 -3.189 3.529 1.00 0.00 N ATOM 234 CA CYS A 18 -8.200 -3.023 3.802 1.00 0.00 C ATOM 235 C CYS A 18 -7.615 -4.284 4.432 1.00 0.00 C ATOM 236 O CYS A 18 -8.349 -5.183 4.840 1.00 0.00 O ATOM 237 CB CYS A 18 -7.973 -1.825 4.726 1.00 0.00 C ATOM 238 SG CYS A 18 -6.245 -1.252 4.790 1.00 0.00 S ATOM 0 H CYS A 18 -10.227 -2.548 4.042 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.693 -2.844 2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.606 -1.001 4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.294 -2.091 5.733 1.00 0.00 H new ATOM 243 N ASN A 19 -6.290 -4.341 4.508 1.00 0.00 N ATOM 244 CA ASN A 19 -5.606 -5.492 5.088 1.00 0.00 C ATOM 245 C ASN A 19 -4.871 -5.100 6.366 1.00 0.00 C ATOM 246 O ASN A 19 -4.666 -5.928 7.254 1.00 0.00 O ATOM 247 CB ASN A 19 -4.620 -6.087 4.081 1.00 0.00 C ATOM 248 CG ASN A 19 -4.293 -7.537 4.380 1.00 0.00 C ATOM 249 OD1 ASN A 19 -3.218 -7.849 4.893 1.00 0.00 O ATOM 250 ND2 ASN A 19 -5.220 -8.431 4.058 1.00 0.00 N ATOM 0 H ASN A 19 -5.668 -3.604 4.176 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.357 -6.242 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.039 -6.011 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.701 -5.501 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.056 -9.422 4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.097 -8.127 3.635 1.00 0.00 H new ATOM 257 N ILE A 20 -4.479 -3.833 6.452 1.00 0.00 N ATOM 258 CA ILE A 20 -3.769 -3.332 7.622 1.00 0.00 C ATOM 259 C ILE A 20 -4.734 -3.029 8.763 1.00 0.00 C ATOM 260 O ILE A 20 -4.475 -3.370 9.917 1.00 0.00 O ATOM 261 CB ILE A 20 -2.967 -2.059 7.291 1.00 0.00 C ATOM 262 CG1 ILE A 20 -1.996 -2.327 6.140 1.00 0.00 C ATOM 263 CG2 ILE A 20 -2.218 -1.570 8.522 1.00 0.00 C ATOM 264 CD1 ILE A 20 -1.025 -3.454 6.418 1.00 0.00 C ATOM 0 H ILE A 20 -4.641 -3.135 5.726 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.079 -4.116 7.932 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.662 -1.279 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.566 -2.563 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.434 -1.417 5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.656 -0.670 8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.930 -1.345 9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.530 -2.345 8.861 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.367 -3.588 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.428 -3.212 7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.579 -4.375 6.598 1.00 0.00 H new ATOM 276 N CYS A 21 -5.850 -2.387 8.432 1.00 0.00 N ATOM 277 CA CYS A 21 -6.856 -2.039 9.428 1.00 0.00 C ATOM 278 C CYS A 21 -8.133 -2.848 9.217 1.00 0.00 C ATOM 279 O CYS A 21 -8.916 -3.045 10.147 1.00 0.00 O ATOM 280 CB CYS A 21 -7.171 -0.543 9.363 1.00 0.00 C ATOM 281 SG CYS A 21 -8.000 -0.023 7.827 1.00 0.00 S ATOM 0 H CYS A 21 -6.080 -2.097 7.481 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.454 -2.277 10.413 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.802 -0.279 10.211 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.242 0.018 9.470 1.00 0.00 H new ATOM 286 N HIS A 22 -8.335 -3.314 7.989 1.00 0.00 N ATOM 287 CA HIS A 22 -9.516 -4.103 7.656 1.00 0.00 C ATOM 288 C HIS A 22 -10.768 -3.231 7.649 1.00 0.00 C ATOM 289 O HIS A 22 -11.833 -3.654 8.098 1.00 0.00 O ATOM 290 CB HIS A 22 -9.686 -5.251 8.652 1.00 0.00 C ATOM 291 CG HIS A 22 -8.431 -6.035 8.881 1.00 0.00 C ATOM 292 ND1 HIS A 22 -7.838 -6.161 10.120 1.00 0.00 N ATOM 293 CD2 HIS A 22 -7.656 -6.738 8.022 1.00 0.00 C ATOM 294 CE1 HIS A 22 -6.752 -6.905 10.013 1.00 0.00 C ATOM 295 NE2 HIS A 22 -6.619 -7.269 8.750 1.00 0.00 N ATOM 0 H HIS A 22 -7.697 -3.159 7.208 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.376 -4.516 6.657 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.031 -4.847 9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.464 -5.923 8.290 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.822 -6.859 6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.086 -7.171 10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.868 -7.850 8.376 1.00 0.00 H new ATOM 303 N SER A 23 -10.631 -2.012 7.138 1.00 0.00 N ATOM 304 CA SER A 23 -11.749 -1.078 7.077 1.00 0.00 C ATOM 305 C SER A 23 -12.130 -0.780 5.630 1.00 0.00 C ATOM 306 O SER A 23 -11.268 -0.701 4.753 1.00 0.00 O ATOM 307 CB SER A 23 -11.396 0.222 7.802 1.00 0.00 C ATOM 308 OG SER A 23 -12.416 1.192 7.636 1.00 0.00 O ATOM 0 H SER A 23 -9.756 -1.648 6.760 1.00 0.00 H new ATOM 0 HA SER A 23 -12.603 -1.540 7.571 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.249 0.022 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.453 0.612 7.418 1.00 0.00 H new ATOM 0 HG SER A 23 -12.167 2.013 8.110 1.00 0.00 H new ATOM 314 N LEU A 24 -13.425 -0.615 5.387 1.00 0.00 N ATOM 315 CA LEU A 24 -13.922 -0.325 4.047 1.00 0.00 C ATOM 316 C LEU A 24 -13.166 0.846 3.427 1.00 0.00 C ATOM 317 O LEU A 24 -13.003 1.894 4.052 1.00 0.00 O ATOM 318 CB LEU A 24 -15.419 -0.013 4.092 1.00 0.00 C ATOM 319 CG LEU A 24 -16.177 -0.164 2.773 1.00 0.00 C ATOM 320 CD1 LEU A 24 -15.661 0.832 1.745 1.00 0.00 C ATOM 321 CD2 LEU A 24 -16.055 -1.587 2.247 1.00 0.00 C ATOM 0 H LEU A 24 -14.151 -0.677 6.101 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.760 -1.207 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -15.883 -0.666 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.546 1.010 4.445 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.231 0.045 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.212 0.710 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.800 1.846 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.601 0.654 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.601 -1.676 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.004 -1.824 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.472 -2.281 2.976 1.00 0.00 H new ATOM 333 N LEU A 25 -12.707 0.661 2.194 1.00 0.00 N ATOM 334 CA LEU A 25 -11.970 1.703 1.488 1.00 0.00 C ATOM 335 C LEU A 25 -12.579 1.965 0.114 1.00 0.00 C ATOM 336 O LEU A 25 -13.415 1.197 -0.362 1.00 0.00 O ATOM 337 CB LEU A 25 -10.501 1.303 1.338 1.00 0.00 C ATOM 338 CG LEU A 25 -10.238 -0.141 0.910 1.00 0.00 C ATOM 339 CD1 LEU A 25 -10.710 -0.368 -0.518 1.00 0.00 C ATOM 340 CD2 LEU A 25 -8.760 -0.477 1.045 1.00 0.00 C ATOM 0 H LEU A 25 -12.832 -0.201 1.663 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.034 2.620 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.037 1.967 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.999 1.476 2.290 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.802 -0.803 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.515 -1.401 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.780 -0.169 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.174 0.303 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.592 -1.509 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.176 0.191 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.452 -0.355 2.084 1.00 0.00 H new ATOM 352 N ILE A 26 -12.153 3.054 -0.518 1.00 0.00 N ATOM 353 CA ILE A 26 -12.655 3.415 -1.838 1.00 0.00 C ATOM 354 C ILE A 26 -11.718 2.923 -2.936 1.00 0.00 C ATOM 355 O ILE A 26 -12.070 2.036 -3.713 1.00 0.00 O ATOM 356 CB ILE A 26 -12.832 4.939 -1.975 1.00 0.00 C ATOM 357 CG1 ILE A 26 -13.819 5.456 -0.927 1.00 0.00 C ATOM 358 CG2 ILE A 26 -13.305 5.294 -3.377 1.00 0.00 C ATOM 359 CD1 ILE A 26 -13.824 6.963 -0.793 1.00 0.00 C ATOM 0 H ILE A 26 -11.462 3.701 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.626 2.933 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.868 5.418 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -14.822 5.119 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -13.575 5.014 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.425 6.374 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.569 4.955 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -14.260 4.807 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.547 7.258 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.831 7.306 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.098 7.412 -1.748 1.00 0.00 H new ATOM 371 N GLN A 27 -10.524 3.503 -2.991 1.00 0.00 N ATOM 372 CA GLN A 27 -9.536 3.122 -3.994 1.00 0.00 C ATOM 373 C GLN A 27 -8.209 2.755 -3.338 1.00 0.00 C ATOM 374 O GLN A 27 -7.797 1.595 -3.353 1.00 0.00 O ATOM 375 CB GLN A 27 -9.326 4.261 -4.993 1.00 0.00 C ATOM 376 CG GLN A 27 -8.662 3.820 -6.287 1.00 0.00 C ATOM 377 CD GLN A 27 -8.217 4.990 -7.143 1.00 0.00 C ATOM 378 OE1 GLN A 27 -8.939 5.977 -7.290 1.00 0.00 O ATOM 379 NE2 GLN A 27 -7.022 4.887 -7.713 1.00 0.00 N ATOM 0 H GLN A 27 -10.217 4.238 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.913 2.248 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.291 4.712 -5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.716 5.035 -4.527 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.799 3.196 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.357 3.202 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.456 4.051 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.670 5.644 -8.299 1.00 0.00 H new ATOM 388 N GLY A 28 -7.543 3.751 -2.762 1.00 0.00 N ATOM 389 CA GLY A 28 -6.269 3.512 -2.109 1.00 0.00 C ATOM 390 C GLY A 28 -5.314 2.716 -2.975 1.00 0.00 C ATOM 391 O GLY A 28 -5.297 2.872 -4.196 1.00 0.00 O ATOM 0 H GLY A 28 -7.863 4.719 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.811 4.467 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.438 2.978 -1.174 1.00 0.00 H new ATOM 395 N GLN A 29 -4.516 1.861 -2.343 1.00 0.00 N ATOM 396 CA GLN A 29 -3.552 1.040 -3.065 1.00 0.00 C ATOM 397 C GLN A 29 -4.060 -0.390 -3.215 1.00 0.00 C ATOM 398 O GLN A 29 -4.843 -0.871 -2.395 1.00 0.00 O ATOM 399 CB GLN A 29 -2.204 1.042 -2.341 1.00 0.00 C ATOM 400 CG GLN A 29 -1.676 2.436 -2.043 1.00 0.00 C ATOM 401 CD GLN A 29 -1.815 3.377 -3.223 1.00 0.00 C ATOM 402 OE1 GLN A 29 -2.921 3.634 -3.700 1.00 0.00 O ATOM 403 NE2 GLN A 29 -0.691 3.898 -3.701 1.00 0.00 N ATOM 0 H GLN A 29 -4.518 1.719 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.422 1.467 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.303 0.492 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.474 0.508 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.213 2.849 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.626 2.369 -1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.204 3.658 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.723 4.539 -4.494 1.00 0.00 H new ATOM 412 N SER A 30 -3.609 -1.066 -4.267 1.00 0.00 N ATOM 413 CA SER A 30 -4.021 -2.441 -4.526 1.00 0.00 C ATOM 414 C SER A 30 -2.824 -3.302 -4.919 1.00 0.00 C ATOM 415 O SER A 30 -1.783 -2.789 -5.329 1.00 0.00 O ATOM 416 CB SER A 30 -5.076 -2.479 -5.634 1.00 0.00 C ATOM 417 OG SER A 30 -4.502 -2.187 -6.896 1.00 0.00 O ATOM 0 H SER A 30 -2.958 -0.684 -4.954 1.00 0.00 H new ATOM 0 HA SER A 30 -4.451 -2.844 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.542 -3.464 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.864 -1.759 -5.414 1.00 0.00 H new ATOM 0 HG SER A 30 -5.197 -2.219 -7.587 1.00 0.00 H new ATOM 423 N CYS A 31 -2.981 -4.615 -4.789 1.00 0.00 N ATOM 424 CA CYS A 31 -1.915 -5.550 -5.129 1.00 0.00 C ATOM 425 C CYS A 31 -2.312 -6.419 -6.318 1.00 0.00 C ATOM 426 O CYS A 31 -3.436 -6.916 -6.388 1.00 0.00 O ATOM 427 CB CYS A 31 -1.580 -6.434 -3.926 1.00 0.00 C ATOM 428 SG CYS A 31 -0.126 -7.504 -4.171 1.00 0.00 S ATOM 0 H CYS A 31 -3.836 -5.056 -4.451 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.033 -4.972 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.407 -5.798 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.443 -7.059 -3.696 1.00 0.00 H new ATOM 433 N GLU A 32 -1.382 -6.598 -7.251 1.00 0.00 N ATOM 434 CA GLU A 32 -1.636 -7.407 -8.437 1.00 0.00 C ATOM 435 C GLU A 32 -1.208 -8.854 -8.211 1.00 0.00 C ATOM 436 O GLU A 32 -1.586 -9.752 -8.965 1.00 0.00 O ATOM 437 CB GLU A 32 -0.897 -6.828 -9.645 1.00 0.00 C ATOM 438 CG GLU A 32 0.600 -6.687 -9.432 1.00 0.00 C ATOM 439 CD GLU A 32 1.390 -6.844 -10.717 1.00 0.00 C ATOM 440 OE1 GLU A 32 1.448 -5.873 -11.500 1.00 0.00 O ATOM 441 OE2 GLU A 32 1.949 -7.938 -10.940 1.00 0.00 O ATOM 0 H GLU A 32 -0.446 -6.194 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.708 -7.390 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.074 -7.468 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.316 -5.850 -9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.811 -5.710 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.933 -7.435 -8.712 1.00 0.00 H new ATOM 448 N THR A 33 -0.414 -9.074 -7.167 1.00 0.00 N ATOM 449 CA THR A 33 0.069 -10.410 -6.842 1.00 0.00 C ATOM 450 C THR A 33 -1.054 -11.281 -6.290 1.00 0.00 C ATOM 451 O THR A 33 -1.365 -12.336 -6.844 1.00 0.00 O ATOM 452 CB THR A 33 1.215 -10.358 -5.814 1.00 0.00 C ATOM 453 OG1 THR A 33 2.324 -9.631 -6.354 1.00 0.00 O ATOM 454 CG2 THR A 33 1.660 -11.761 -5.430 1.00 0.00 C ATOM 0 H THR A 33 -0.092 -8.343 -6.532 1.00 0.00 H new ATOM 0 HA THR A 33 0.441 -10.846 -7.769 1.00 0.00 H new ATOM 0 HB THR A 33 0.850 -9.852 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.048 -9.601 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.470 -11.700 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.821 -12.302 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.009 -12.288 -6.318 1.00 0.00 H new ATOM 462 N CYS A 34 -1.661 -10.833 -5.196 1.00 0.00 N ATOM 463 CA CYS A 34 -2.751 -11.571 -4.569 1.00 0.00 C ATOM 464 C CYS A 34 -4.096 -10.917 -4.872 1.00 0.00 C ATOM 465 O CYS A 34 -5.053 -11.589 -5.254 1.00 0.00 O ATOM 466 CB CYS A 34 -2.538 -11.647 -3.056 1.00 0.00 C ATOM 467 SG CYS A 34 -2.349 -10.025 -2.248 1.00 0.00 S ATOM 0 H CYS A 34 -1.416 -9.962 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.757 -12.580 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.383 -12.168 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.650 -12.247 -2.855 1.00 0.00 H new ATOM 472 N GLY A 35 -4.160 -9.600 -4.699 1.00 0.00 N ATOM 473 CA GLY A 35 -5.392 -8.877 -4.958 1.00 0.00 C ATOM 474 C GLY A 35 -5.964 -8.240 -3.708 1.00 0.00 C ATOM 475 O GLY A 35 -7.175 -8.271 -3.486 1.00 0.00 O ATOM 0 H GLY A 35 -3.381 -9.021 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.206 -8.104 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.128 -9.560 -5.383 1.00 0.00 H new ATOM 479 N ILE A 36 -5.093 -7.662 -2.888 1.00 0.00 N ATOM 480 CA ILE A 36 -5.519 -7.015 -1.653 1.00 0.00 C ATOM 481 C ILE A 36 -5.313 -5.506 -1.724 1.00 0.00 C ATOM 482 O ILE A 36 -4.312 -5.030 -2.260 1.00 0.00 O ATOM 483 CB ILE A 36 -4.757 -7.570 -0.435 1.00 0.00 C ATOM 484 CG1 ILE A 36 -3.255 -7.322 -0.590 1.00 0.00 C ATOM 485 CG2 ILE A 36 -5.040 -9.055 -0.264 1.00 0.00 C ATOM 486 CD1 ILE A 36 -2.790 -6.019 0.022 1.00 0.00 C ATOM 0 H ILE A 36 -4.088 -7.628 -3.057 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.581 -7.229 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.102 -7.050 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.710 -8.145 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.002 -7.327 -1.650 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.494 -9.432 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.109 -9.207 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.720 -9.592 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.716 -5.911 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.308 -5.187 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.011 -6.019 1.089 1.00 0.00 H new ATOM 498 N ARG A 37 -6.266 -4.758 -1.178 1.00 0.00 N ATOM 499 CA ARG A 37 -6.190 -3.302 -1.178 1.00 0.00 C ATOM 500 C ARG A 37 -5.806 -2.778 0.203 1.00 0.00 C ATOM 501 O ARG A 37 -6.099 -3.407 1.219 1.00 0.00 O ATOM 502 CB ARG A 37 -7.527 -2.700 -1.611 1.00 0.00 C ATOM 503 CG ARG A 37 -7.823 -2.873 -3.092 1.00 0.00 C ATOM 504 CD ARG A 37 -9.175 -2.285 -3.463 1.00 0.00 C ATOM 505 NE ARG A 37 -9.644 -2.765 -4.760 1.00 0.00 N ATOM 506 CZ ARG A 37 -10.073 -4.004 -4.973 1.00 0.00 C ATOM 507 NH1 ARG A 37 -10.092 -4.883 -3.980 1.00 0.00 N ATOM 508 NH2 ARG A 37 -10.484 -4.366 -6.182 1.00 0.00 N ATOM 0 H ARG A 37 -7.100 -5.136 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.419 -3.003 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.328 -3.162 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.532 -1.637 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.042 -2.390 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.804 -3.933 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.905 -2.543 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.104 -1.198 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.642 -2.114 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.777 -4.608 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.422 -5.834 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.471 -3.693 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.813 -5.318 -6.345 1.00 0.00 H new ATOM 522 N MET A 38 -5.150 -1.622 0.230 1.00 0.00 N ATOM 523 CA MET A 38 -4.727 -1.013 1.486 1.00 0.00 C ATOM 524 C MET A 38 -4.832 0.507 1.415 1.00 0.00 C ATOM 525 O MET A 38 -4.548 1.111 0.381 1.00 0.00 O ATOM 526 CB MET A 38 -3.291 -1.422 1.817 1.00 0.00 C ATOM 527 CG MET A 38 -3.130 -2.908 2.096 1.00 0.00 C ATOM 528 SD MET A 38 -1.508 -3.533 1.617 1.00 0.00 S ATOM 529 CE MET A 38 -0.542 -3.112 3.066 1.00 0.00 C ATOM 0 H MET A 38 -4.900 -1.089 -0.603 1.00 0.00 H new ATOM 0 HA MET A 38 -5.389 -1.369 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.642 -1.145 0.986 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.953 -0.859 2.687 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.287 -3.093 3.159 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.901 -3.460 1.559 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.471 -3.498 2.953 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.507 -2.028 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.002 -3.553 3.950 1.00 0.00 H new ATOM 539 N HIS A 39 -5.243 1.119 2.522 1.00 0.00 N ATOM 540 CA HIS A 39 -5.385 2.569 2.585 1.00 0.00 C ATOM 541 C HIS A 39 -4.052 3.258 2.309 1.00 0.00 C ATOM 542 O HIS A 39 -2.998 2.622 2.324 1.00 0.00 O ATOM 543 CB HIS A 39 -5.918 2.991 3.954 1.00 0.00 C ATOM 544 CG HIS A 39 -7.383 2.738 4.131 1.00 0.00 C ATOM 545 ND1 HIS A 39 -7.881 1.698 4.888 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.461 3.398 3.646 1.00 0.00 C ATOM 547 CE1 HIS A 39 -9.201 1.728 4.859 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.579 2.750 4.112 1.00 0.00 N ATOM 0 H HIS A 39 -5.483 0.633 3.386 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.096 2.874 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.369 2.456 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.721 4.053 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.445 4.271 3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.860 1.035 5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -10.544 3.015 3.914 1.00 0.00 H new ATOM 556 N LEU A 40 -4.107 4.562 2.057 1.00 0.00 N ATOM 557 CA LEU A 40 -2.904 5.338 1.778 1.00 0.00 C ATOM 558 C LEU A 40 -1.953 5.317 2.970 1.00 0.00 C ATOM 559 O LEU A 40 -0.797 4.903 2.867 1.00 0.00 O ATOM 560 CB LEU A 40 -3.273 6.781 1.431 1.00 0.00 C ATOM 561 CG LEU A 40 -3.449 7.090 -0.057 1.00 0.00 C ATOM 562 CD1 LEU A 40 -2.123 6.962 -0.789 1.00 0.00 C ATOM 563 CD2 LEU A 40 -4.492 6.168 -0.673 1.00 0.00 C ATOM 0 H LEU A 40 -4.971 5.103 2.040 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.399 4.884 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.201 7.031 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.500 7.438 1.829 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.797 8.118 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.268 7.185 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.404 7.663 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.745 5.945 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.604 6.402 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.173 5.132 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.447 6.309 -0.167 1.00 0.00 H new ATOM 575 N PRO A 41 -2.448 5.771 4.131 1.00 0.00 N ATOM 576 CA PRO A 41 -1.660 5.812 5.366 1.00 0.00 C ATOM 577 C PRO A 41 -1.377 4.419 5.919 1.00 0.00 C ATOM 578 O PRO A 41 -0.538 4.251 6.805 1.00 0.00 O ATOM 579 CB PRO A 41 -2.552 6.598 6.330 1.00 0.00 C ATOM 580 CG PRO A 41 -3.937 6.389 5.821 1.00 0.00 C ATOM 581 CD PRO A 41 -3.817 6.278 4.326 1.00 0.00 C ATOM 0 HA PRO A 41 -0.679 6.261 5.209 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.447 6.234 7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.289 7.656 6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.376 5.486 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.585 7.220 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.561 5.597 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.962 7.242 3.838 1.00 0.00 H new ATOM 589 N CYS A 42 -2.080 3.423 5.391 1.00 0.00 N ATOM 590 CA CYS A 42 -1.904 2.045 5.831 1.00 0.00 C ATOM 591 C CYS A 42 -0.788 1.361 5.047 1.00 0.00 C ATOM 592 O CYS A 42 -0.035 0.554 5.592 1.00 0.00 O ATOM 593 CB CYS A 42 -3.210 1.264 5.667 1.00 0.00 C ATOM 594 SG CYS A 42 -4.455 1.619 6.949 1.00 0.00 S ATOM 0 H CYS A 42 -2.778 3.545 4.657 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.627 2.060 6.885 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.636 1.490 4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.987 0.197 5.678 1.00 0.00 H new ATOM 599 N VAL A 43 -0.687 1.691 3.763 1.00 0.00 N ATOM 600 CA VAL A 43 0.338 1.111 2.903 1.00 0.00 C ATOM 601 C VAL A 43 1.729 1.588 3.307 1.00 0.00 C ATOM 602 O VAL A 43 2.659 0.791 3.424 1.00 0.00 O ATOM 603 CB VAL A 43 0.095 1.464 1.424 1.00 0.00 C ATOM 604 CG1 VAL A 43 1.177 0.855 0.545 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.285 0.999 0.985 1.00 0.00 C ATOM 0 H VAL A 43 -1.302 2.357 3.296 1.00 0.00 H new ATOM 0 HA VAL A 43 0.279 0.029 3.025 1.00 0.00 H new ATOM 0 HB VAL A 43 0.139 2.548 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.989 1.115 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.151 1.242 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.168 -0.229 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.440 1.257 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.361 -0.081 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.045 1.488 1.595 1.00 0.00 H new ATOM 615 N ALA A 44 1.862 2.893 3.519 1.00 0.00 N ATOM 616 CA ALA A 44 3.139 3.476 3.912 1.00 0.00 C ATOM 617 C ALA A 44 3.565 2.987 5.292 1.00 0.00 C ATOM 618 O ALA A 44 4.717 2.607 5.499 1.00 0.00 O ATOM 619 CB ALA A 44 3.054 4.995 3.892 1.00 0.00 C ATOM 0 H ALA A 44 1.102 3.566 3.425 1.00 0.00 H new ATOM 0 HA ALA A 44 3.893 3.155 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.015 5.417 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.804 5.332 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.283 5.325 4.588 1.00 0.00 H new ATOM 625 N LYS A 45 2.627 2.998 6.234 1.00 0.00 N ATOM 626 CA LYS A 45 2.904 2.555 7.595 1.00 0.00 C ATOM 627 C LYS A 45 3.531 1.164 7.597 1.00 0.00 C ATOM 628 O LYS A 45 4.251 0.799 8.527 1.00 0.00 O ATOM 629 CB LYS A 45 1.617 2.547 8.422 1.00 0.00 C ATOM 630 CG LYS A 45 1.853 2.684 9.916 1.00 0.00 C ATOM 631 CD LYS A 45 2.246 4.104 10.291 1.00 0.00 C ATOM 632 CE LYS A 45 1.034 5.021 10.347 1.00 0.00 C ATOM 633 NZ LYS A 45 1.419 6.455 10.239 1.00 0.00 N ATOM 0 H LYS A 45 1.668 3.309 6.079 1.00 0.00 H new ATOM 0 HA LYS A 45 3.611 3.254 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.975 3.362 8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.078 1.619 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.949 2.401 10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.638 1.994 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.746 4.101 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.961 4.489 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.349 4.767 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.498 4.858 11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.565 7.048 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.053 6.704 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.908 6.616 9.335 1.00 0.00 H new ATOM 647 N TYR A 46 3.254 0.394 6.551 1.00 0.00 N ATOM 648 CA TYR A 46 3.790 -0.957 6.434 1.00 0.00 C ATOM 649 C TYR A 46 5.063 -0.967 5.593 1.00 0.00 C ATOM 650 O TYR A 46 5.898 -1.863 5.718 1.00 0.00 O ATOM 651 CB TYR A 46 2.748 -1.890 5.813 1.00 0.00 C ATOM 652 CG TYR A 46 2.976 -3.350 6.133 1.00 0.00 C ATOM 653 CD1 TYR A 46 2.806 -3.834 7.424 1.00 0.00 C ATOM 654 CD2 TYR A 46 3.361 -4.246 5.143 1.00 0.00 C ATOM 655 CE1 TYR A 46 3.013 -5.167 7.720 1.00 0.00 C ATOM 656 CE2 TYR A 46 3.569 -5.581 5.430 1.00 0.00 C ATOM 657 CZ TYR A 46 3.395 -6.037 6.720 1.00 0.00 C ATOM 658 OH TYR A 46 3.601 -7.366 7.011 1.00 0.00 O ATOM 0 H TYR A 46 2.662 0.682 5.772 1.00 0.00 H new ATOM 0 HA TYR A 46 4.035 -1.311 7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.758 -1.600 6.164 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.754 -1.759 4.731 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.507 -3.156 8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.500 -3.892 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.876 -5.526 8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.866 -6.264 4.648 1.00 0.00 H new ATOM 0 HH TYR A 46 3.864 -7.842 6.196 1.00 0.00 H new ATOM 668 N PHE A 47 5.205 0.038 4.734 1.00 0.00 N ATOM 669 CA PHE A 47 6.375 0.147 3.871 1.00 0.00 C ATOM 670 C PHE A 47 7.177 1.403 4.198 1.00 0.00 C ATOM 671 O PHE A 47 7.750 2.034 3.310 1.00 0.00 O ATOM 672 CB PHE A 47 5.951 0.167 2.401 1.00 0.00 C ATOM 673 CG PHE A 47 5.211 -1.069 1.973 1.00 0.00 C ATOM 674 CD1 PHE A 47 5.611 -2.319 2.416 1.00 0.00 C ATOM 675 CD2 PHE A 47 4.117 -0.979 1.129 1.00 0.00 C ATOM 676 CE1 PHE A 47 4.933 -3.458 2.024 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.434 -2.115 0.734 1.00 0.00 C ATOM 678 CZ PHE A 47 3.844 -3.356 1.182 1.00 0.00 C ATOM 0 H PHE A 47 4.524 0.788 4.618 1.00 0.00 H new ATOM 0 HA PHE A 47 7.008 -0.723 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.320 1.038 2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.837 0.285 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.462 -2.405 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.793 -0.011 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.255 -4.427 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.581 -2.032 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.313 -4.245 0.874 1.00 0.00 H new ATOM 688 N GLN A 48 7.211 1.759 5.478 1.00 0.00 N ATOM 689 CA GLN A 48 7.942 2.941 5.922 1.00 0.00 C ATOM 690 C GLN A 48 9.300 2.556 6.499 1.00 0.00 C ATOM 691 O GLN A 48 9.430 1.539 7.181 1.00 0.00 O ATOM 692 CB GLN A 48 7.128 3.706 6.967 1.00 0.00 C ATOM 693 CG GLN A 48 6.829 2.896 8.218 1.00 0.00 C ATOM 694 CD GLN A 48 6.420 3.764 9.392 1.00 0.00 C ATOM 695 OE1 GLN A 48 6.195 4.965 9.242 1.00 0.00 O ATOM 696 NE2 GLN A 48 6.323 3.159 10.570 1.00 0.00 N ATOM 0 H GLN A 48 6.742 1.247 6.225 1.00 0.00 H new ATOM 0 HA GLN A 48 8.105 3.584 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.671 4.608 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.188 4.027 6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.033 2.184 8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.711 2.316 8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.519 2.161 10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.053 3.692 11.396 1.00 0.00 H new ATOM 705 N SER A 49 10.309 3.375 6.221 1.00 0.00 N ATOM 706 CA SER A 49 11.659 3.118 6.709 1.00 0.00 C ATOM 707 C SER A 49 12.164 1.763 6.223 1.00 0.00 C ATOM 708 O SER A 49 12.840 1.042 6.955 1.00 0.00 O ATOM 709 CB SER A 49 11.689 3.168 8.238 1.00 0.00 C ATOM 710 OG SER A 49 13.016 3.298 8.718 1.00 0.00 O ATOM 0 H SER A 49 10.217 4.222 5.660 1.00 0.00 H new ATOM 0 HA SER A 49 12.315 3.893 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.088 4.007 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.239 2.262 8.644 1.00 0.00 H new ATOM 0 HG SER A 49 13.565 2.567 8.364 1.00 0.00 H new ATOM 716 N ASN A 50 11.829 1.425 4.982 1.00 0.00 N ATOM 717 CA ASN A 50 12.248 0.157 4.396 1.00 0.00 C ATOM 718 C ASN A 50 12.792 0.362 2.986 1.00 0.00 C ATOM 719 O ASN A 50 12.538 1.387 2.355 1.00 0.00 O ATOM 720 CB ASN A 50 11.075 -0.826 4.365 1.00 0.00 C ATOM 721 CG ASN A 50 10.132 -0.562 3.207 1.00 0.00 C ATOM 722 OD1 ASN A 50 10.215 0.474 2.547 1.00 0.00 O ATOM 723 ND2 ASN A 50 9.227 -1.502 2.955 1.00 0.00 N ATOM 0 H ASN A 50 11.269 2.011 4.363 1.00 0.00 H new ATOM 0 HA ASN A 50 13.044 -0.256 5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.459 -1.844 4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.523 -0.759 5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.565 -1.380 2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.194 -2.345 3.528 1.00 0.00 H new ATOM 730 N ALA A 51 13.542 -0.621 2.498 1.00 0.00 N ATOM 731 CA ALA A 51 14.120 -0.550 1.162 1.00 0.00 C ATOM 732 C ALA A 51 13.284 -1.338 0.160 1.00 0.00 C ATOM 733 O ALA A 51 13.037 -0.876 -0.954 1.00 0.00 O ATOM 734 CB ALA A 51 15.552 -1.064 1.178 1.00 0.00 C ATOM 0 H ALA A 51 13.763 -1.476 3.008 1.00 0.00 H new ATOM 0 HA ALA A 51 14.124 0.494 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.971 -1.005 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 51 16.149 -0.455 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.563 -2.100 1.515 1.00 0.00 H new ATOM 740 N GLU A 52 12.853 -2.529 0.562 1.00 0.00 N ATOM 741 CA GLU A 52 12.046 -3.381 -0.303 1.00 0.00 C ATOM 742 C GLU A 52 10.728 -3.750 0.373 1.00 0.00 C ATOM 743 O GLU A 52 10.676 -4.592 1.270 1.00 0.00 O ATOM 744 CB GLU A 52 12.817 -4.651 -0.668 1.00 0.00 C ATOM 745 CG GLU A 52 14.140 -4.381 -1.366 1.00 0.00 C ATOM 746 CD GLU A 52 14.784 -5.643 -1.906 1.00 0.00 C ATOM 747 OE1 GLU A 52 15.177 -6.503 -1.090 1.00 0.00 O ATOM 748 OE2 GLU A 52 14.894 -5.771 -3.143 1.00 0.00 O ATOM 0 H GLU A 52 13.049 -2.926 1.481 1.00 0.00 H new ATOM 0 HA GLU A 52 11.824 -2.824 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.005 -5.225 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.195 -5.271 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.978 -3.681 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.824 -3.900 -0.667 1.00 0.00 H new ATOM 755 N PRO A 53 9.638 -3.105 -0.067 1.00 0.00 N ATOM 756 CA PRO A 53 8.300 -3.348 0.480 1.00 0.00 C ATOM 757 C PRO A 53 7.759 -4.723 0.102 1.00 0.00 C ATOM 758 O PRO A 53 7.826 -5.128 -1.059 1.00 0.00 O ATOM 759 CB PRO A 53 7.450 -2.246 -0.157 1.00 0.00 C ATOM 760 CG PRO A 53 8.163 -1.900 -1.419 1.00 0.00 C ATOM 761 CD PRO A 53 9.627 -2.090 -1.134 1.00 0.00 C ATOM 0 HA PRO A 53 8.297 -3.331 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.437 -2.594 -0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.366 -1.381 0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.839 -2.541 -2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.954 -0.872 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.168 -2.430 -2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.097 -1.161 -0.810 1.00 0.00 H new ATOM 769 N ARG A 54 7.225 -5.435 1.088 1.00 0.00 N ATOM 770 CA ARG A 54 6.673 -6.765 0.858 1.00 0.00 C ATOM 771 C ARG A 54 5.207 -6.826 1.277 1.00 0.00 C ATOM 772 O ARG A 54 4.873 -6.602 2.441 1.00 0.00 O ATOM 773 CB ARG A 54 7.479 -7.814 1.627 1.00 0.00 C ATOM 774 CG ARG A 54 8.961 -7.812 1.289 1.00 0.00 C ATOM 775 CD ARG A 54 9.640 -9.090 1.756 1.00 0.00 C ATOM 776 NE ARG A 54 11.042 -9.144 1.352 1.00 0.00 N ATOM 777 CZ ARG A 54 11.464 -9.728 0.236 1.00 0.00 C ATOM 778 NH1 ARG A 54 10.595 -10.305 -0.583 1.00 0.00 N ATOM 779 NH2 ARG A 54 12.757 -9.735 -0.063 1.00 0.00 N ATOM 0 H ARG A 54 7.163 -5.114 2.054 1.00 0.00 H new ATOM 0 HA ARG A 54 6.736 -6.978 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.359 -7.640 2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.068 -8.801 1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.090 -7.703 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.441 -6.952 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.573 -9.160 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.112 -9.951 1.347 1.00 0.00 H new ATOM 0 HE ARG A 54 11.736 -8.709 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.600 -10.301 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.921 -10.753 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.428 -9.292 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.080 -10.184 -0.920 1.00 0.00 H new ATOM 793 N CYS A 55 4.336 -7.129 0.321 1.00 0.00 N ATOM 794 CA CYS A 55 2.906 -7.219 0.589 1.00 0.00 C ATOM 795 C CYS A 55 2.637 -8.063 1.831 1.00 0.00 C ATOM 796 O CYS A 55 3.139 -9.178 1.975 1.00 0.00 O ATOM 797 CB CYS A 55 2.176 -7.817 -0.615 1.00 0.00 C ATOM 798 SG CYS A 55 0.374 -7.961 -0.397 1.00 0.00 S ATOM 0 H CYS A 55 4.596 -7.317 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 55 2.532 -6.211 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.377 -7.200 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.586 -8.806 -0.821 1.00 0.00 H new ATOM 803 N PRO A 56 1.826 -7.521 2.751 1.00 0.00 N ATOM 804 CA PRO A 56 1.471 -8.207 3.997 1.00 0.00 C ATOM 805 C PRO A 56 0.560 -9.407 3.759 1.00 0.00 C ATOM 806 O PRO A 56 0.086 -10.037 4.705 1.00 0.00 O ATOM 807 CB PRO A 56 0.737 -7.130 4.799 1.00 0.00 C ATOM 808 CG PRO A 56 0.195 -6.196 3.772 1.00 0.00 C ATOM 809 CD PRO A 56 1.191 -6.196 2.646 1.00 0.00 C ATOM 0 HA PRO A 56 2.348 -8.611 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.062 -7.561 5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.412 -6.617 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.785 -6.523 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.070 -5.194 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.705 -6.059 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.919 -5.392 2.754 1.00 0.00 H new ATOM 817 N HIS A 57 0.320 -9.719 2.489 1.00 0.00 N ATOM 818 CA HIS A 57 -0.534 -10.845 2.127 1.00 0.00 C ATOM 819 C HIS A 57 0.266 -11.921 1.399 1.00 0.00 C ATOM 820 O HIS A 57 0.514 -12.998 1.942 1.00 0.00 O ATOM 821 CB HIS A 57 -1.692 -10.372 1.248 1.00 0.00 C ATOM 822 CG HIS A 57 -2.749 -11.412 1.040 1.00 0.00 C ATOM 823 ND1 HIS A 57 -3.856 -11.534 1.854 1.00 0.00 N ATOM 824 CD2 HIS A 57 -2.866 -12.381 0.102 1.00 0.00 C ATOM 825 CE1 HIS A 57 -4.606 -12.534 1.427 1.00 0.00 C ATOM 826 NE2 HIS A 57 -4.028 -13.064 0.365 1.00 0.00 N ATOM 0 H HIS A 57 0.705 -9.208 1.694 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.936 -11.274 3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.145 -9.491 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.300 -10.065 0.278 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.174 -12.580 -0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.534 -12.862 1.871 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.386 -13.853 -0.173 1.00 0.00 H new ATOM 834 N CYS A 58 0.667 -11.623 0.168 1.00 0.00 N ATOM 835 CA CYS A 58 1.438 -12.564 -0.635 1.00 0.00 C ATOM 836 C CYS A 58 2.910 -12.542 -0.235 1.00 0.00 C ATOM 837 O CYS A 58 3.632 -13.518 -0.433 1.00 0.00 O ATOM 838 CB CYS A 58 1.297 -12.233 -2.122 1.00 0.00 C ATOM 839 SG CYS A 58 1.618 -10.486 -2.528 1.00 0.00 S ATOM 0 H CYS A 58 0.470 -10.736 -0.296 1.00 0.00 H new ATOM 0 HA CYS A 58 1.045 -13.565 -0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.985 -12.859 -2.690 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.289 -12.491 -2.447 1.00 0.00 H new ATOM 844 N ASN A 59 3.348 -11.421 0.329 1.00 0.00 N ATOM 845 CA ASN A 59 4.734 -11.271 0.757 1.00 0.00 C ATOM 846 C ASN A 59 5.664 -11.140 -0.446 1.00 0.00 C ATOM 847 O ASN A 59 6.794 -11.628 -0.426 1.00 0.00 O ATOM 848 CB ASN A 59 5.157 -12.465 1.615 1.00 0.00 C ATOM 849 CG ASN A 59 6.358 -12.155 2.486 1.00 0.00 C ATOM 850 OD1 ASN A 59 7.432 -12.730 2.310 1.00 0.00 O ATOM 851 ND2 ASN A 59 6.181 -11.241 3.434 1.00 0.00 N ATOM 0 H ASN A 59 2.763 -10.603 0.500 1.00 0.00 H new ATOM 0 HA ASN A 59 4.808 -10.361 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.322 -12.769 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.390 -13.310 0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.953 -10.991 4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.273 -10.789 3.544 1.00 0.00 H new ATOM 858 N ASP A 60 5.180 -10.479 -1.491 1.00 0.00 N ATOM 859 CA ASP A 60 5.967 -10.281 -2.703 1.00 0.00 C ATOM 860 C ASP A 60 6.210 -8.797 -2.957 1.00 0.00 C ATOM 861 O ASP A 60 5.373 -7.956 -2.630 1.00 0.00 O ATOM 862 CB ASP A 60 5.259 -10.908 -3.905 1.00 0.00 C ATOM 863 CG ASP A 60 5.477 -12.406 -3.989 1.00 0.00 C ATOM 864 OD1 ASP A 60 6.649 -12.836 -3.979 1.00 0.00 O ATOM 865 OD2 ASP A 60 4.476 -13.149 -4.065 1.00 0.00 O ATOM 0 H ASP A 60 4.246 -10.071 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 60 6.931 -10.770 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.190 -10.702 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.620 -10.439 -4.821 1.00 0.00 H new ATOM 870 N TYR A 61 7.361 -8.483 -3.541 1.00 0.00 N ATOM 871 CA TYR A 61 7.716 -7.100 -3.837 1.00 0.00 C ATOM 872 C TYR A 61 6.485 -6.297 -4.245 1.00 0.00 C ATOM 873 O TYR A 61 5.759 -6.678 -5.163 1.00 0.00 O ATOM 874 CB TYR A 61 8.766 -7.047 -4.948 1.00 0.00 C ATOM 875 CG TYR A 61 9.032 -5.651 -5.464 1.00 0.00 C ATOM 876 CD1 TYR A 61 8.285 -5.121 -6.509 1.00 0.00 C ATOM 877 CD2 TYR A 61 10.030 -4.862 -4.905 1.00 0.00 C ATOM 878 CE1 TYR A 61 8.525 -3.846 -6.983 1.00 0.00 C ATOM 879 CE2 TYR A 61 10.276 -3.585 -5.373 1.00 0.00 C ATOM 880 CZ TYR A 61 9.521 -3.082 -6.412 1.00 0.00 C ATOM 881 OH TYR A 61 9.763 -1.811 -6.881 1.00 0.00 O ATOM 0 H TYR A 61 8.064 -9.168 -3.819 1.00 0.00 H new ATOM 0 HA TYR A 61 8.132 -6.657 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.698 -7.471 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.438 -7.675 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.504 -5.716 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.623 -5.253 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.936 -3.449 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.055 -2.984 -4.928 1.00 0.00 H new ATOM 0 HH TYR A 61 10.496 -1.408 -6.370 1.00 0.00 H new ATOM 891 N TRP A 62 6.258 -5.184 -3.557 1.00 0.00 N ATOM 892 CA TRP A 62 5.116 -4.326 -3.848 1.00 0.00 C ATOM 893 C TRP A 62 5.207 -3.757 -5.259 1.00 0.00 C ATOM 894 O TRP A 62 6.098 -2.970 -5.581 1.00 0.00 O ATOM 895 CB TRP A 62 5.036 -3.186 -2.830 1.00 0.00 C ATOM 896 CG TRP A 62 3.702 -2.504 -2.807 1.00 0.00 C ATOM 897 CD1 TRP A 62 3.440 -1.205 -3.139 1.00 0.00 C ATOM 898 CD2 TRP A 62 2.449 -3.084 -2.428 1.00 0.00 C ATOM 899 NE1 TRP A 62 2.099 -0.943 -2.991 1.00 0.00 N ATOM 900 CE2 TRP A 62 1.469 -2.079 -2.557 1.00 0.00 C ATOM 901 CE3 TRP A 62 2.058 -4.354 -1.996 1.00 0.00 C ATOM 902 CZ2 TRP A 62 0.127 -2.308 -2.266 1.00 0.00 C ATOM 903 CZ3 TRP A 62 0.726 -4.579 -1.708 1.00 0.00 C ATOM 904 CH2 TRP A 62 -0.227 -3.561 -1.845 1.00 0.00 C ATOM 0 H TRP A 62 6.850 -4.855 -2.794 1.00 0.00 H new ATOM 0 HA TRP A 62 4.212 -4.931 -3.778 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.252 -3.579 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 62 5.808 -2.451 -3.057 1.00 0.00 H new ATOM 0 HD1 TRP A 62 4.178 -0.489 -3.469 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.646 -0.048 -3.175 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.785 -5.146 -1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.609 -1.524 -2.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.414 -5.557 -1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.261 -3.769 -1.614 1.00 0.00 H new ATOM 915 N PRO A 63 4.266 -4.163 -6.124 1.00 0.00 N ATOM 916 CA PRO A 63 4.219 -3.705 -7.516 1.00 0.00 C ATOM 917 C PRO A 63 3.829 -2.235 -7.630 1.00 0.00 C ATOM 918 O PRO A 63 4.404 -1.490 -8.425 1.00 0.00 O ATOM 919 CB PRO A 63 3.143 -4.593 -8.146 1.00 0.00 C ATOM 920 CG PRO A 63 2.270 -4.996 -7.007 1.00 0.00 C ATOM 921 CD PRO A 63 3.173 -5.099 -5.810 1.00 0.00 C ATOM 0 HA PRO A 63 5.192 -3.780 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.578 -4.052 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.583 -5.462 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.483 -4.261 -6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.780 -5.948 -7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.656 -4.820 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.542 -6.115 -5.671 1.00 0.00 H new ATOM 929 N HIS A 64 2.851 -1.823 -6.830 1.00 0.00 N ATOM 930 CA HIS A 64 2.386 -0.440 -6.840 1.00 0.00 C ATOM 931 C HIS A 64 3.398 0.479 -6.164 1.00 0.00 C ATOM 932 O HIS A 64 4.382 0.016 -5.588 1.00 0.00 O ATOM 933 CB HIS A 64 1.032 -0.330 -6.139 1.00 0.00 C ATOM 934 CG HIS A 64 0.213 0.837 -6.597 1.00 0.00 C ATOM 935 ND1 HIS A 64 -0.577 1.691 -5.904 1.00 0.00 N flip ATOM 936 CD2 HIS A 64 0.145 1.238 -7.914 1.00 0.00 C flip ATOM 937 CE1 HIS A 64 -1.101 2.583 -6.806 1.00 0.00 C flip ATOM 938 NE2 HIS A 64 -0.649 2.289 -8.012 1.00 0.00 N flip ATOM 0 H HIS A 64 2.365 -2.427 -6.167 1.00 0.00 H new ATOM 0 HA HIS A 64 2.276 -0.128 -7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.469 -1.248 -6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.194 -0.250 -5.064 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.661 0.766 -8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.774 3.394 -6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.875 2.788 -8.872 1.00 0.00 H new ATOM 946 N GLU A 65 3.150 1.783 -6.240 1.00 0.00 N ATOM 947 CA GLU A 65 4.042 2.766 -5.636 1.00 0.00 C ATOM 948 C GLU A 65 3.721 2.955 -4.156 1.00 0.00 C ATOM 949 O GLU A 65 2.639 2.592 -3.694 1.00 0.00 O ATOM 950 CB GLU A 65 3.932 4.105 -6.369 1.00 0.00 C ATOM 951 CG GLU A 65 2.629 4.839 -6.102 1.00 0.00 C ATOM 952 CD GLU A 65 2.211 5.726 -7.258 1.00 0.00 C ATOM 953 OE1 GLU A 65 3.093 6.122 -8.050 1.00 0.00 O ATOM 954 OE2 GLU A 65 1.005 6.026 -7.372 1.00 0.00 O ATOM 0 H GLU A 65 2.340 2.183 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 65 5.063 2.395 -5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.765 4.742 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.029 3.932 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.841 4.112 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.736 5.446 -5.203 1.00 0.00 H new ATOM 961 N ILE A 66 4.669 3.525 -3.420 1.00 0.00 N ATOM 962 CA ILE A 66 4.488 3.763 -1.993 1.00 0.00 C ATOM 963 C ILE A 66 4.038 5.195 -1.728 1.00 0.00 C ATOM 964 O ILE A 66 4.666 6.160 -2.164 1.00 0.00 O ATOM 965 CB ILE A 66 5.784 3.489 -1.207 1.00 0.00 C ATOM 966 CG1 ILE A 66 6.282 2.069 -1.482 1.00 0.00 C ATOM 967 CG2 ILE A 66 5.554 3.697 0.282 1.00 0.00 C ATOM 968 CD1 ILE A 66 5.309 0.993 -1.053 1.00 0.00 C ATOM 0 H ILE A 66 5.570 3.831 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 66 3.715 3.073 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 66 6.548 4.192 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.481 1.963 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.229 1.918 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.479 3.500 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.241 4.725 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.778 3.015 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.728 0.012 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.128 1.072 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.369 1.118 -1.590 1.00 0.00 H new ATOM 980 N PRO A 67 2.925 5.340 -0.993 1.00 0.00 N ATOM 981 CA PRO A 67 2.368 6.652 -0.650 1.00 0.00 C ATOM 982 C PRO A 67 3.240 7.410 0.344 1.00 0.00 C ATOM 983 O PRO A 67 4.055 6.817 1.051 1.00 0.00 O ATOM 984 CB PRO A 67 1.015 6.309 -0.021 1.00 0.00 C ATOM 985 CG PRO A 67 1.182 4.925 0.505 1.00 0.00 C ATOM 986 CD PRO A 67 2.126 4.234 -0.440 1.00 0.00 C ATOM 0 HA PRO A 67 2.296 7.304 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.761 7.007 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.212 6.359 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.584 4.938 1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.224 4.406 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.751 3.506 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.590 3.696 -1.222 1.00 0.00 H new ATOM 994 N LYS A 68 3.065 8.726 0.394 1.00 0.00 N ATOM 995 CA LYS A 68 3.834 9.568 1.303 1.00 0.00 C ATOM 996 C LYS A 68 3.262 9.509 2.715 1.00 0.00 C ATOM 997 O LYS A 68 2.226 8.886 2.950 1.00 0.00 O ATOM 998 CB LYS A 68 3.845 11.015 0.805 1.00 0.00 C ATOM 999 CG LYS A 68 4.903 11.287 -0.250 1.00 0.00 C ATOM 1000 CD LYS A 68 5.364 12.735 -0.217 1.00 0.00 C ATOM 1001 CE LYS A 68 6.555 12.919 0.711 1.00 0.00 C ATOM 1002 NZ LYS A 68 6.136 13.025 2.136 1.00 0.00 N ATOM 0 H LYS A 68 2.396 9.233 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 68 4.857 9.192 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.864 11.257 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.009 11.681 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.757 10.629 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.503 11.054 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.633 13.056 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.543 13.372 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.239 12.078 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.103 13.817 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.893 13.476 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.271 13.598 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.951 12.074 2.515 1.00 0.00 H new ATOM 1016 N SER A 69 3.942 10.162 3.652 1.00 0.00 N ATOM 1017 CA SER A 69 3.501 10.182 5.042 1.00 0.00 C ATOM 1018 C SER A 69 2.893 11.534 5.401 1.00 0.00 C ATOM 1019 O SER A 69 2.135 11.652 6.362 1.00 0.00 O ATOM 1020 CB SER A 69 4.674 9.874 5.975 1.00 0.00 C ATOM 1021 OG SER A 69 5.713 10.825 5.820 1.00 0.00 O ATOM 0 H SER A 69 4.800 10.684 3.474 1.00 0.00 H new ATOM 0 HA SER A 69 2.736 9.416 5.165 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.329 9.873 7.009 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.057 8.875 5.765 1.00 0.00 H new ATOM 0 HG SER A 69 6.450 10.607 6.428 1.00 0.00 H new ATOM 1027 N GLY A 70 3.233 12.555 4.618 1.00 0.00 N ATOM 1028 CA GLY A 70 2.713 13.886 4.868 1.00 0.00 C ATOM 1029 C GLY A 70 3.061 14.394 6.253 1.00 0.00 C ATOM 1030 O GLY A 70 3.545 13.651 7.107 1.00 0.00 O ATOM 0 H GLY A 70 3.859 12.483 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.110 14.574 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.630 13.878 4.749 1.00 0.00 H new ATOM 1034 N PRO A 71 2.815 15.691 6.491 1.00 0.00 N ATOM 1035 CA PRO A 71 3.100 16.327 7.781 1.00 0.00 C ATOM 1036 C PRO A 71 2.163 15.846 8.884 1.00 0.00 C ATOM 1037 O PRO A 71 1.022 15.466 8.620 1.00 0.00 O ATOM 1038 CB PRO A 71 2.875 17.815 7.500 1.00 0.00 C ATOM 1039 CG PRO A 71 1.921 17.845 6.356 1.00 0.00 C ATOM 1040 CD PRO A 71 2.239 16.636 5.520 1.00 0.00 C ATOM 0 HA PRO A 71 4.103 16.093 8.138 1.00 0.00 H new ATOM 0 HB2 PRO A 71 2.464 18.325 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.810 18.316 7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.890 17.816 6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.035 18.761 5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.346 16.230 5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.944 16.873 4.723 1.00 0.00 H new ATOM 1048 N SER A 72 2.652 15.865 10.119 1.00 0.00 N ATOM 1049 CA SER A 72 1.860 15.427 11.262 1.00 0.00 C ATOM 1050 C SER A 72 0.643 16.327 11.456 1.00 0.00 C ATOM 1051 O SER A 72 0.488 17.337 10.769 1.00 0.00 O ATOM 1052 CB SER A 72 2.714 15.425 12.532 1.00 0.00 C ATOM 1053 OG SER A 72 2.272 14.434 13.442 1.00 0.00 O ATOM 0 H SER A 72 3.593 16.179 10.354 1.00 0.00 H new ATOM 0 HA SER A 72 1.513 14.413 11.065 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.757 15.245 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.668 16.405 13.006 1.00 0.00 H new ATOM 0 HG SER A 72 2.835 14.452 14.244 1.00 0.00 H new ATOM 1059 N SER A 73 -0.218 15.953 12.397 1.00 0.00 N ATOM 1060 CA SER A 73 -1.424 16.723 12.679 1.00 0.00 C ATOM 1061 C SER A 73 -1.502 17.085 14.159 1.00 0.00 C ATOM 1062 O SER A 73 -2.006 16.313 14.973 1.00 0.00 O ATOM 1063 CB SER A 73 -2.668 15.931 12.270 1.00 0.00 C ATOM 1064 OG SER A 73 -2.661 14.637 12.847 1.00 0.00 O ATOM 0 H SER A 73 -0.103 15.122 12.977 1.00 0.00 H new ATOM 0 HA SER A 73 -1.382 17.644 12.098 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.564 16.467 12.583 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.709 15.848 11.184 1.00 0.00 H new ATOM 0 HG SER A 73 -2.386 14.699 13.786 1.00 0.00 H new ATOM 1070 N GLY A 74 -1.000 18.269 14.499 1.00 0.00 N ATOM 1071 CA GLY A 74 -1.022 18.715 15.880 1.00 0.00 C ATOM 1072 C GLY A 74 -2.270 19.507 16.214 1.00 0.00 C ATOM 1073 O GLY A 74 -2.158 20.677 16.574 1.00 0.00 O ATOM 0 H GLY A 74 -0.579 18.927 13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.958 17.849 16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.143 19.329 16.074 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 -6.390 0.554 6.255 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -0.230 -9.080 -2.400 1.00 0.00 ZN