USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 165:sc= 0.00219 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0.00171 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 35:sc= 0.91 USER MOD Single : A 6 SER OG : rot 14:sc= 0.305 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0878 USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.141 (180deg=-0.685) USER MOD Single : A 16 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-0.025) USER MOD Single : A 21 SER OG : rot -55:sc= 0.68 USER MOD Single : A 23 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.14) USER MOD Single : A 25 MET CE :methyl -103:sc= -0.289 (180deg=-1.94!) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.164 (180deg=-0.828) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0.294 (180deg=0.0286) USER MOD Single : A 58 ASN : amide:sc= -5.1! C(o=-5.1!,f=-6.5!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0419 (180deg=-0.557) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -54:sc= 0.39 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.165 -2.905 -19.351 1.00 0.00 N ATOM 2 CA GLY A 1 2.561 -2.507 -19.335 1.00 0.00 C ATOM 3 C GLY A 1 3.492 -3.669 -19.052 1.00 0.00 C ATOM 4 O GLY A 1 4.289 -3.620 -18.115 1.00 0.00 O ATOM 0 H1 GLY A 1 0.570 -2.075 -19.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.017 -3.621 -20.090 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.907 -3.304 -18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.820 -2.064 -20.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.707 -1.736 -18.579 1.00 0.00 H new ATOM 8 N SER A 2 3.389 -4.719 -19.861 1.00 0.00 N ATOM 9 CA SER A 2 4.225 -5.901 -19.689 1.00 0.00 C ATOM 10 C SER A 2 5.472 -5.817 -20.564 1.00 0.00 C ATOM 11 O SER A 2 5.384 -5.826 -21.792 1.00 0.00 O ATOM 12 CB SER A 2 3.434 -7.165 -20.029 1.00 0.00 C ATOM 13 OG SER A 2 2.263 -7.262 -19.236 1.00 0.00 O ATOM 0 H SER A 2 2.735 -4.775 -20.642 1.00 0.00 H new ATOM 0 HA SER A 2 4.537 -5.946 -18.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.162 -7.155 -21.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.059 -8.043 -19.869 1.00 0.00 H new ATOM 0 HG SER A 2 1.774 -8.077 -19.473 1.00 0.00 H new ATOM 19 N SER A 3 6.633 -5.735 -19.923 1.00 0.00 N ATOM 20 CA SER A 3 7.899 -5.645 -20.642 1.00 0.00 C ATOM 21 C SER A 3 9.052 -6.145 -19.776 1.00 0.00 C ATOM 22 O SER A 3 8.885 -6.393 -18.583 1.00 0.00 O ATOM 23 CB SER A 3 8.161 -4.202 -21.078 1.00 0.00 C ATOM 24 OG SER A 3 8.070 -3.313 -19.978 1.00 0.00 O ATOM 0 H SER A 3 6.724 -5.729 -18.907 1.00 0.00 H new ATOM 0 HA SER A 3 7.832 -6.277 -21.527 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.151 -4.129 -21.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.441 -3.913 -21.844 1.00 0.00 H new ATOM 0 HG SER A 3 8.243 -2.398 -20.282 1.00 0.00 H new ATOM 30 N GLY A 4 10.224 -6.290 -20.388 1.00 0.00 N ATOM 31 CA GLY A 4 11.388 -6.759 -19.660 1.00 0.00 C ATOM 32 C GLY A 4 11.498 -8.270 -19.655 1.00 0.00 C ATOM 33 O GLY A 4 11.095 -8.926 -18.694 1.00 0.00 O ATOM 0 H GLY A 4 10.387 -6.091 -21.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.287 -6.334 -20.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.340 -6.398 -18.633 1.00 0.00 H new ATOM 37 N SER A 5 12.045 -8.826 -20.731 1.00 0.00 N ATOM 38 CA SER A 5 12.202 -10.271 -20.849 1.00 0.00 C ATOM 39 C SER A 5 13.658 -10.678 -20.645 1.00 0.00 C ATOM 40 O SER A 5 14.506 -10.442 -21.506 1.00 0.00 O ATOM 41 CB SER A 5 11.714 -10.748 -22.219 1.00 0.00 C ATOM 42 OG SER A 5 12.503 -10.199 -23.260 1.00 0.00 O ATOM 0 H SER A 5 12.387 -8.298 -21.534 1.00 0.00 H new ATOM 0 HA SER A 5 11.599 -10.742 -20.072 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.753 -11.836 -22.264 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.672 -10.460 -22.358 1.00 0.00 H new ATOM 0 HG SER A 5 13.432 -10.119 -22.959 1.00 0.00 H new ATOM 48 N SER A 6 13.940 -11.290 -19.500 1.00 0.00 N ATOM 49 CA SER A 6 15.294 -11.726 -19.179 1.00 0.00 C ATOM 50 C SER A 6 15.269 -12.947 -18.264 1.00 0.00 C ATOM 51 O SER A 6 14.225 -13.309 -17.723 1.00 0.00 O ATOM 52 CB SER A 6 16.074 -10.591 -18.513 1.00 0.00 C ATOM 53 OG SER A 6 16.533 -9.656 -19.473 1.00 0.00 O ATOM 0 H SER A 6 13.249 -11.495 -18.779 1.00 0.00 H new ATOM 0 HA SER A 6 15.791 -12.001 -20.109 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.438 -10.087 -17.785 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.923 -11.001 -17.965 1.00 0.00 H new ATOM 0 HG SER A 6 16.077 -9.812 -20.326 1.00 0.00 H new ATOM 59 N GLY A 7 16.427 -13.577 -18.097 1.00 0.00 N ATOM 60 CA GLY A 7 16.518 -14.751 -17.248 1.00 0.00 C ATOM 61 C GLY A 7 16.974 -14.415 -15.842 1.00 0.00 C ATOM 62 O GLY A 7 18.165 -14.221 -15.598 1.00 0.00 O ATOM 0 H GLY A 7 17.304 -13.296 -18.534 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.545 -15.240 -17.204 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.213 -15.464 -17.692 1.00 0.00 H new ATOM 66 N VAL A 8 16.025 -14.345 -14.915 1.00 0.00 N ATOM 67 CA VAL A 8 16.335 -14.029 -13.525 1.00 0.00 C ATOM 68 C VAL A 8 15.576 -14.944 -12.571 1.00 0.00 C ATOM 69 O VAL A 8 14.352 -14.864 -12.460 1.00 0.00 O ATOM 70 CB VAL A 8 15.996 -12.564 -13.193 1.00 0.00 C ATOM 71 CG1 VAL A 8 16.282 -12.269 -11.728 1.00 0.00 C ATOM 72 CG2 VAL A 8 16.773 -11.620 -14.097 1.00 0.00 C ATOM 0 H VAL A 8 15.035 -14.503 -15.101 1.00 0.00 H new ATOM 0 HA VAL A 8 17.406 -14.184 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 8 14.932 -12.406 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.037 -11.229 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.677 -12.923 -11.100 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.338 -12.443 -11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.521 -10.589 -13.849 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.842 -11.777 -13.954 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.513 -11.816 -15.137 1.00 0.00 H new ATOM 82 N ARG A 9 16.310 -15.814 -11.884 1.00 0.00 N ATOM 83 CA ARG A 9 15.705 -16.745 -10.940 1.00 0.00 C ATOM 84 C ARG A 9 15.935 -16.287 -9.502 1.00 0.00 C ATOM 85 O ARG A 9 16.916 -15.605 -9.207 1.00 0.00 O ATOM 86 CB ARG A 9 16.279 -18.149 -11.137 1.00 0.00 C ATOM 87 CG ARG A 9 15.828 -18.816 -12.426 1.00 0.00 C ATOM 88 CD ARG A 9 15.899 -20.332 -12.324 1.00 0.00 C ATOM 89 NE ARG A 9 17.222 -20.842 -12.673 1.00 0.00 N ATOM 90 CZ ARG A 9 17.441 -22.076 -13.115 1.00 0.00 C ATOM 91 NH1 ARG A 9 16.430 -22.920 -13.261 1.00 0.00 N ATOM 92 NH2 ARG A 9 18.674 -22.466 -13.412 1.00 0.00 N ATOM 0 H ARG A 9 17.324 -15.893 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 9 14.632 -16.769 -11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.367 -18.092 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.986 -18.774 -10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.806 -18.513 -12.655 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.454 -18.476 -13.251 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.648 -20.639 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.154 -20.775 -12.984 1.00 0.00 H new ATOM 0 HE ARG A 9 18.022 -20.217 -12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.481 -22.623 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.601 -23.867 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.454 -21.819 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.841 -23.413 -13.751 1.00 0.00 H new ATOM 106 N ALA A 10 15.024 -16.667 -8.613 1.00 0.00 N ATOM 107 CA ALA A 10 15.128 -16.297 -7.207 1.00 0.00 C ATOM 108 C ALA A 10 14.699 -17.448 -6.303 1.00 0.00 C ATOM 109 O ALA A 10 13.766 -18.192 -6.606 1.00 0.00 O ATOM 110 CB ALA A 10 14.290 -15.060 -6.923 1.00 0.00 C ATOM 0 H ALA A 10 14.205 -17.231 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 10 16.173 -16.071 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.377 -14.795 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.645 -14.231 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.246 -15.265 -7.160 1.00 0.00 H new ATOM 116 N PRO A 11 15.394 -17.600 -5.166 1.00 0.00 N ATOM 117 CA PRO A 11 15.102 -18.659 -4.195 1.00 0.00 C ATOM 118 C PRO A 11 13.780 -18.433 -3.471 1.00 0.00 C ATOM 119 O PRO A 11 13.150 -17.385 -3.620 1.00 0.00 O ATOM 120 CB PRO A 11 16.272 -18.571 -3.212 1.00 0.00 C ATOM 121 CG PRO A 11 16.747 -17.162 -3.313 1.00 0.00 C ATOM 122 CD PRO A 11 16.519 -16.750 -4.741 1.00 0.00 C ATOM 0 HA PRO A 11 15.001 -19.634 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.955 -18.810 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.062 -19.275 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.199 -16.515 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.802 -17.086 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.274 -15.691 -4.819 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.404 -16.919 -5.354 1.00 0.00 H new ATOM 130 N VAL A 12 13.364 -19.421 -2.686 1.00 0.00 N ATOM 131 CA VAL A 12 12.116 -19.329 -1.937 1.00 0.00 C ATOM 132 C VAL A 12 12.360 -19.492 -0.440 1.00 0.00 C ATOM 133 O VAL A 12 13.051 -20.415 -0.009 1.00 0.00 O ATOM 134 CB VAL A 12 11.104 -20.394 -2.399 1.00 0.00 C ATOM 135 CG1 VAL A 12 11.650 -21.793 -2.153 1.00 0.00 C ATOM 136 CG2 VAL A 12 9.770 -20.203 -1.694 1.00 0.00 C ATOM 0 H VAL A 12 13.873 -20.295 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 12 11.704 -18.339 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 12 10.943 -20.276 -3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.921 -22.532 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.579 -21.924 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.842 -21.927 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.067 -20.964 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.911 -20.293 -0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.374 -19.214 -1.926 1.00 0.00 H new ATOM 146 N THR A 13 11.788 -18.587 0.348 1.00 0.00 N ATOM 147 CA THR A 13 11.944 -18.629 1.797 1.00 0.00 C ATOM 148 C THR A 13 10.679 -19.150 2.471 1.00 0.00 C ATOM 149 O THR A 13 9.597 -19.128 1.885 1.00 0.00 O ATOM 150 CB THR A 13 12.279 -17.237 2.366 1.00 0.00 C ATOM 151 OG1 THR A 13 12.498 -17.326 3.778 1.00 0.00 O ATOM 152 CG2 THR A 13 11.156 -16.251 2.083 1.00 0.00 C ATOM 0 H THR A 13 11.213 -17.816 0.008 1.00 0.00 H new ATOM 0 HA THR A 13 12.770 -19.308 2.007 1.00 0.00 H new ATOM 0 HB THR A 13 13.186 -16.878 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.712 -16.438 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.416 -15.276 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.011 -16.164 1.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.235 -16.606 2.545 1.00 0.00 H new ATOM 160 N LYS A 14 10.823 -19.617 3.706 1.00 0.00 N ATOM 161 CA LYS A 14 9.692 -20.142 4.462 1.00 0.00 C ATOM 162 C LYS A 14 8.640 -19.061 4.689 1.00 0.00 C ATOM 163 O LYS A 14 8.964 -17.933 5.060 1.00 0.00 O ATOM 164 CB LYS A 14 10.165 -20.697 5.808 1.00 0.00 C ATOM 165 CG LYS A 14 9.061 -21.359 6.615 1.00 0.00 C ATOM 166 CD LYS A 14 8.872 -22.812 6.215 1.00 0.00 C ATOM 167 CE LYS A 14 8.349 -23.646 7.374 1.00 0.00 C ATOM 168 NZ LYS A 14 9.319 -23.696 8.503 1.00 0.00 N ATOM 0 H LYS A 14 11.712 -19.643 4.205 1.00 0.00 H new ATOM 0 HA LYS A 14 9.242 -20.947 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.960 -21.422 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.596 -19.886 6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.301 -21.301 7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.127 -20.816 6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.176 -22.873 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.821 -23.222 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.405 -23.229 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.141 -24.659 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.192 -24.583 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.289 -23.651 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.155 -22.889 9.138 1.00 0.00 H new ATOM 182 N VAL A 15 7.378 -19.413 4.464 1.00 0.00 N ATOM 183 CA VAL A 15 6.278 -18.474 4.646 1.00 0.00 C ATOM 184 C VAL A 15 5.036 -19.178 5.181 1.00 0.00 C ATOM 185 O VAL A 15 4.834 -20.370 4.943 1.00 0.00 O ATOM 186 CB VAL A 15 5.923 -17.763 3.326 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.507 -18.775 2.269 1.00 0.00 C ATOM 188 CG2 VAL A 15 4.824 -16.736 3.554 1.00 0.00 C ATOM 0 H VAL A 15 7.092 -20.342 4.155 1.00 0.00 H new ATOM 0 HA VAL A 15 6.612 -17.732 5.372 1.00 0.00 H new ATOM 0 HB VAL A 15 6.809 -17.240 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.260 -18.254 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.328 -19.469 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.635 -19.328 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.585 -16.243 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.934 -17.235 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.164 -15.993 4.276 1.00 0.00 H new ATOM 198 N HIS A 16 4.206 -18.434 5.904 1.00 0.00 N ATOM 199 CA HIS A 16 2.982 -18.987 6.473 1.00 0.00 C ATOM 200 C HIS A 16 1.918 -17.905 6.630 1.00 0.00 C ATOM 201 O HIS A 16 2.226 -16.764 6.972 1.00 0.00 O ATOM 202 CB HIS A 16 3.271 -19.635 7.827 1.00 0.00 C ATOM 203 CG HIS A 16 4.292 -18.899 8.638 1.00 0.00 C ATOM 204 ND1 HIS A 16 5.160 -19.527 9.506 1.00 0.00 N ATOM 205 CD2 HIS A 16 4.583 -17.578 8.707 1.00 0.00 C ATOM 206 CE1 HIS A 16 5.939 -18.625 10.076 1.00 0.00 C ATOM 207 NE2 HIS A 16 5.610 -17.434 9.608 1.00 0.00 N ATOM 0 H HIS A 16 4.358 -17.447 6.110 1.00 0.00 H new ATOM 0 HA HIS A 16 2.604 -19.747 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.343 -19.697 8.396 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.615 -20.657 7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.098 -16.786 8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.713 -18.827 10.801 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.047 -16.551 9.873 1.00 0.00 H new ATOM 216 N GLY A 17 0.665 -18.272 6.378 1.00 0.00 N ATOM 217 CA GLY A 17 -0.424 -17.320 6.496 1.00 0.00 C ATOM 218 C GLY A 17 -1.635 -17.720 5.676 1.00 0.00 C ATOM 219 O GLY A 17 -1.845 -18.901 5.401 1.00 0.00 O ATOM 0 H GLY A 17 0.385 -19.211 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.712 -17.230 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.080 -16.337 6.174 1.00 0.00 H new ATOM 223 N GLY A 18 -2.436 -16.733 5.286 1.00 0.00 N ATOM 224 CA GLY A 18 -3.623 -17.009 4.498 1.00 0.00 C ATOM 225 C GLY A 18 -4.898 -16.606 5.211 1.00 0.00 C ATOM 226 O GLY A 18 -5.893 -17.330 5.174 1.00 0.00 O ATOM 0 H GLY A 18 -2.284 -15.748 5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.557 -16.477 3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.661 -18.073 4.265 1.00 0.00 H new ATOM 230 N ALA A 19 -4.869 -15.449 5.864 1.00 0.00 N ATOM 231 CA ALA A 19 -6.032 -14.951 6.588 1.00 0.00 C ATOM 232 C ALA A 19 -7.036 -14.307 5.639 1.00 0.00 C ATOM 233 O ALA A 19 -6.656 -13.653 4.669 1.00 0.00 O ATOM 234 CB ALA A 19 -5.602 -13.959 7.658 1.00 0.00 C ATOM 0 H ALA A 19 -4.053 -14.839 5.906 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.520 -15.799 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.480 -13.595 8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.929 -14.451 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.088 -13.119 7.190 1.00 0.00 H new ATOM 240 N GLY A 20 -8.321 -14.497 5.925 1.00 0.00 N ATOM 241 CA GLY A 20 -9.360 -13.928 5.086 1.00 0.00 C ATOM 242 C GLY A 20 -9.761 -14.852 3.953 1.00 0.00 C ATOM 243 O GLY A 20 -9.965 -16.048 4.161 1.00 0.00 O ATOM 0 H GLY A 20 -8.661 -15.035 6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.235 -13.706 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.011 -12.982 4.673 1.00 0.00 H new ATOM 247 N SER A 21 -9.875 -14.296 2.751 1.00 0.00 N ATOM 248 CA SER A 21 -10.261 -15.078 1.582 1.00 0.00 C ATOM 249 C SER A 21 -11.681 -15.614 1.730 1.00 0.00 C ATOM 250 O SER A 21 -11.959 -16.766 1.399 1.00 0.00 O ATOM 251 CB SER A 21 -9.285 -16.237 1.373 1.00 0.00 C ATOM 252 OG SER A 21 -9.588 -16.952 0.188 1.00 0.00 O ATOM 0 H SER A 21 -9.706 -13.308 2.561 1.00 0.00 H new ATOM 0 HA SER A 21 -10.229 -14.423 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.266 -15.853 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.327 -16.911 2.229 1.00 0.00 H new ATOM 0 HG SER A 21 -10.524 -17.243 0.211 1.00 0.00 H new ATOM 258 N ALA A 22 -12.576 -14.769 2.232 1.00 0.00 N ATOM 259 CA ALA A 22 -13.968 -15.156 2.423 1.00 0.00 C ATOM 260 C ALA A 22 -14.721 -15.173 1.097 1.00 0.00 C ATOM 261 O ALA A 22 -14.248 -14.631 0.099 1.00 0.00 O ATOM 262 CB ALA A 22 -14.648 -14.214 3.406 1.00 0.00 C ATOM 0 H ALA A 22 -12.362 -13.812 2.514 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.985 -16.166 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.687 -14.515 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.133 -14.255 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.612 -13.196 3.018 1.00 0.00 H new ATOM 268 N GLN A 23 -15.894 -15.798 1.095 1.00 0.00 N ATOM 269 CA GLN A 23 -16.710 -15.886 -0.110 1.00 0.00 C ATOM 270 C GLN A 23 -17.715 -14.740 -0.171 1.00 0.00 C ATOM 271 O GLN A 23 -17.789 -14.020 -1.167 1.00 0.00 O ATOM 272 CB GLN A 23 -17.445 -17.227 -0.157 1.00 0.00 C ATOM 273 CG GLN A 23 -16.524 -18.418 -0.367 1.00 0.00 C ATOM 274 CD GLN A 23 -15.915 -18.920 0.927 1.00 0.00 C ATOM 275 OE1 GLN A 23 -16.543 -19.675 1.670 1.00 0.00 O ATOM 276 NE2 GLN A 23 -14.684 -18.504 1.203 1.00 0.00 N ATOM 0 H GLN A 23 -16.300 -16.251 1.914 1.00 0.00 H new ATOM 0 HA GLN A 23 -16.048 -15.812 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -17.995 -17.363 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -18.181 -17.201 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -17.083 -19.226 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.726 -18.139 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.201 -17.878 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.222 -18.810 2.059 1.00 0.00 H new ATOM 285 N ARG A 24 -18.486 -14.577 0.899 1.00 0.00 N ATOM 286 CA ARG A 24 -19.487 -13.520 0.966 1.00 0.00 C ATOM 287 C ARG A 24 -18.978 -12.246 0.298 1.00 0.00 C ATOM 288 O ARG A 24 -19.574 -11.755 -0.660 1.00 0.00 O ATOM 289 CB ARG A 24 -19.859 -13.232 2.422 1.00 0.00 C ATOM 290 CG ARG A 24 -18.665 -13.206 3.362 1.00 0.00 C ATOM 291 CD ARG A 24 -19.079 -13.496 4.796 1.00 0.00 C ATOM 292 NE ARG A 24 -17.927 -13.591 5.689 1.00 0.00 N ATOM 293 CZ ARG A 24 -17.940 -13.178 6.952 1.00 0.00 C ATOM 294 NH1 ARG A 24 -19.039 -12.645 7.467 1.00 0.00 N ATOM 295 NH2 ARG A 24 -16.852 -13.299 7.702 1.00 0.00 N ATOM 0 H ARG A 24 -18.436 -15.164 1.732 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.374 -13.860 0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.372 -12.272 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -20.564 -13.989 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.930 -13.943 3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.182 -12.230 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.746 -12.709 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.642 -14.429 4.829 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.066 -13.996 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.877 -12.551 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.046 -12.329 8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.005 -13.709 7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.863 -12.982 8.671 1.00 0.00 H new ATOM 309 N MET A 25 -17.872 -11.716 0.811 1.00 0.00 N ATOM 310 CA MET A 25 -17.283 -10.500 0.264 1.00 0.00 C ATOM 311 C MET A 25 -15.868 -10.294 0.796 1.00 0.00 C ATOM 312 O MET A 25 -15.518 -10.746 1.886 1.00 0.00 O ATOM 313 CB MET A 25 -18.151 -9.287 0.607 1.00 0.00 C ATOM 314 CG MET A 25 -17.795 -8.642 1.937 1.00 0.00 C ATOM 315 SD MET A 25 -18.303 -9.640 3.351 1.00 0.00 S ATOM 316 CE MET A 25 -16.822 -9.581 4.356 1.00 0.00 C ATOM 0 H MET A 25 -17.366 -12.110 1.604 1.00 0.00 H new ATOM 0 HA MET A 25 -17.233 -10.607 -0.820 1.00 0.00 H new ATOM 0 HB2 MET A 25 -18.053 -8.545 -0.185 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.197 -9.593 0.629 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.718 -8.479 1.981 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.269 -7.662 2.000 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.281 -10.523 4.263 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.186 -8.762 4.019 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.096 -9.422 5.399 1.00 0.00 H new ATOM 326 N PRO A 26 -15.035 -9.596 0.010 1.00 0.00 N ATOM 327 CA PRO A 26 -13.645 -9.315 0.382 1.00 0.00 C ATOM 328 C PRO A 26 -13.543 -8.324 1.536 1.00 0.00 C ATOM 329 O PRO A 26 -14.380 -7.431 1.677 1.00 0.00 O ATOM 330 CB PRO A 26 -13.051 -8.713 -0.894 1.00 0.00 C ATOM 331 CG PRO A 26 -14.217 -8.135 -1.618 1.00 0.00 C ATOM 332 CD PRO A 26 -15.385 -9.028 -1.302 1.00 0.00 C ATOM 0 HA PRO A 26 -13.127 -10.209 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.310 -7.948 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.549 -9.472 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.409 -7.112 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.032 -8.100 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.319 -8.468 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.512 -9.805 -2.055 1.00 0.00 H new ATOM 340 N LEU A 27 -12.514 -8.486 2.360 1.00 0.00 N ATOM 341 CA LEU A 27 -12.302 -7.604 3.503 1.00 0.00 C ATOM 342 C LEU A 27 -11.133 -6.657 3.251 1.00 0.00 C ATOM 343 O LEU A 27 -9.991 -7.091 3.096 1.00 0.00 O ATOM 344 CB LEU A 27 -12.044 -8.427 4.766 1.00 0.00 C ATOM 345 CG LEU A 27 -12.653 -7.882 6.059 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.130 -6.483 6.347 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.172 -7.879 5.973 1.00 0.00 C ATOM 0 H LEU A 27 -11.813 -9.220 2.258 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.204 -7.008 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.428 -9.434 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.966 -8.515 4.904 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.357 -8.534 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.574 -6.111 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.046 -6.515 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.395 -5.819 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.588 -7.488 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.488 -7.250 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.529 -8.897 5.815 1.00 0.00 H new ATOM 359 N CYS A 28 -11.426 -5.362 3.214 1.00 0.00 N ATOM 360 CA CYS A 28 -10.400 -4.352 2.983 1.00 0.00 C ATOM 361 C CYS A 28 -9.231 -4.534 3.947 1.00 0.00 C ATOM 362 O CYS A 28 -9.378 -4.360 5.157 1.00 0.00 O ATOM 363 CB CYS A 28 -10.990 -2.949 3.139 1.00 0.00 C ATOM 364 SG CYS A 28 -9.895 -1.613 2.563 1.00 0.00 S ATOM 0 H CYS A 28 -12.366 -4.987 3.341 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.031 -4.472 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.929 -2.898 2.587 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.228 -2.781 4.189 1.00 0.00 H new ATOM 369 N ASP A 29 -8.071 -4.884 3.402 1.00 0.00 N ATOM 370 CA ASP A 29 -6.876 -5.089 4.213 1.00 0.00 C ATOM 371 C ASP A 29 -6.351 -3.761 4.751 1.00 0.00 C ATOM 372 O ASP A 29 -5.343 -3.720 5.456 1.00 0.00 O ATOM 373 CB ASP A 29 -5.790 -5.786 3.392 1.00 0.00 C ATOM 374 CG ASP A 29 -5.859 -7.296 3.505 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.923 -7.804 4.644 1.00 0.00 O ATOM 376 OD2 ASP A 29 -5.849 -7.970 2.454 1.00 0.00 O ATOM 0 H ASP A 29 -7.933 -5.032 2.402 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.144 -5.723 5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.889 -5.498 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.810 -5.444 3.726 1.00 0.00 H new ATOM 381 N LYS A 30 -7.041 -2.677 4.412 1.00 0.00 N ATOM 382 CA LYS A 30 -6.646 -1.347 4.861 1.00 0.00 C ATOM 383 C LYS A 30 -7.453 -0.923 6.083 1.00 0.00 C ATOM 384 O LYS A 30 -6.891 -0.609 7.133 1.00 0.00 O ATOM 385 CB LYS A 30 -6.834 -0.329 3.734 1.00 0.00 C ATOM 386 CG LYS A 30 -6.439 1.086 4.120 1.00 0.00 C ATOM 387 CD LYS A 30 -5.031 1.418 3.654 1.00 0.00 C ATOM 388 CE LYS A 30 -4.463 2.612 4.406 1.00 0.00 C ATOM 389 NZ LYS A 30 -4.413 2.370 5.875 1.00 0.00 N ATOM 0 H LYS A 30 -7.877 -2.694 3.828 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.592 -1.383 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.243 -0.640 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.878 -0.333 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.144 1.794 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.502 1.200 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.384 0.553 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.041 1.631 2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.460 2.828 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.073 3.492 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.652 2.941 6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.323 2.638 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.229 1.362 6.055 1.00 0.00 H new ATOM 403 N CYS A 31 -8.774 -0.916 5.941 1.00 0.00 N ATOM 404 CA CYS A 31 -9.660 -0.532 7.033 1.00 0.00 C ATOM 405 C CYS A 31 -10.438 -1.737 7.553 1.00 0.00 C ATOM 406 O CYS A 31 -11.423 -1.589 8.275 1.00 0.00 O ATOM 407 CB CYS A 31 -10.631 0.556 6.571 1.00 0.00 C ATOM 408 SG CYS A 31 -11.811 0.007 5.296 1.00 0.00 S ATOM 0 H CYS A 31 -9.255 -1.172 5.079 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.046 -0.141 7.845 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.188 0.921 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.058 1.398 6.182 1.00 0.00 H new ATOM 413 N GLY A 32 -9.989 -2.931 7.178 1.00 0.00 N ATOM 414 CA GLY A 32 -10.654 -4.145 7.614 1.00 0.00 C ATOM 415 C GLY A 32 -12.162 -3.995 7.659 1.00 0.00 C ATOM 416 O GLY A 32 -12.802 -4.380 8.637 1.00 0.00 O ATOM 0 H GLY A 32 -9.176 -3.079 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.393 -4.961 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.289 -4.420 8.604 1.00 0.00 H new ATOM 420 N SER A 33 -12.731 -3.434 6.597 1.00 0.00 N ATOM 421 CA SER A 33 -14.173 -3.229 6.521 1.00 0.00 C ATOM 422 C SER A 33 -14.748 -3.874 5.264 1.00 0.00 C ATOM 423 O SER A 33 -14.237 -3.677 4.162 1.00 0.00 O ATOM 424 CB SER A 33 -14.499 -1.734 6.535 1.00 0.00 C ATOM 425 OG SER A 33 -15.760 -1.493 7.135 1.00 0.00 O ATOM 0 H SER A 33 -12.216 -3.113 5.777 1.00 0.00 H new ATOM 0 HA SER A 33 -14.628 -3.701 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.724 -1.195 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.498 -1.349 5.515 1.00 0.00 H new ATOM 0 HG SER A 33 -15.944 -0.531 7.133 1.00 0.00 H new ATOM 431 N GLY A 34 -15.815 -4.648 5.438 1.00 0.00 N ATOM 432 CA GLY A 34 -16.443 -5.312 4.310 1.00 0.00 C ATOM 433 C GLY A 34 -16.546 -4.414 3.094 1.00 0.00 C ATOM 434 O GLY A 34 -16.782 -3.211 3.220 1.00 0.00 O ATOM 0 H GLY A 34 -16.256 -4.827 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.871 -6.203 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.440 -5.645 4.597 1.00 0.00 H new ATOM 438 N ILE A 35 -16.369 -4.997 1.913 1.00 0.00 N ATOM 439 CA ILE A 35 -16.443 -4.240 0.669 1.00 0.00 C ATOM 440 C ILE A 35 -17.633 -4.685 -0.174 1.00 0.00 C ATOM 441 O ILE A 35 -17.748 -5.856 -0.537 1.00 0.00 O ATOM 442 CB ILE A 35 -15.155 -4.393 -0.161 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.927 -4.101 0.705 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.190 -3.469 -1.368 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.682 -4.832 0.254 1.00 0.00 C ATOM 0 H ILE A 35 -16.173 -5.991 1.791 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.566 -3.192 0.944 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.089 -5.421 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.732 -3.029 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.146 -4.376 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.273 -3.589 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.047 -3.719 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.275 -2.435 -1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.852 -4.578 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.858 -5.907 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.438 -4.539 -0.767 1.00 0.00 H new ATOM 457 N VAL A 36 -18.517 -3.741 -0.484 1.00 0.00 N ATOM 458 CA VAL A 36 -19.698 -4.035 -1.288 1.00 0.00 C ATOM 459 C VAL A 36 -20.003 -2.894 -2.252 1.00 0.00 C ATOM 460 O VAL A 36 -20.287 -1.773 -1.834 1.00 0.00 O ATOM 461 CB VAL A 36 -20.932 -4.287 -0.401 1.00 0.00 C ATOM 462 CG1 VAL A 36 -22.170 -4.503 -1.258 1.00 0.00 C ATOM 463 CG2 VAL A 36 -20.694 -5.476 0.517 1.00 0.00 C ATOM 0 H VAL A 36 -18.438 -2.767 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.478 -4.939 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 36 -21.098 -3.406 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -23.032 -4.680 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -22.349 -3.618 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -22.018 -5.366 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -21.576 -5.640 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -20.501 -6.366 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.834 -5.276 1.156 1.00 0.00 H new ATOM 473 N GLY A 37 -19.943 -3.190 -3.548 1.00 0.00 N ATOM 474 CA GLY A 37 -20.216 -2.179 -4.552 1.00 0.00 C ATOM 475 C GLY A 37 -19.017 -1.902 -5.437 1.00 0.00 C ATOM 476 O GLY A 37 -19.112 -1.970 -6.662 1.00 0.00 O ATOM 0 H GLY A 37 -19.710 -4.111 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.053 -2.502 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.521 -1.256 -4.060 1.00 0.00 H new ATOM 480 N ALA A 38 -17.885 -1.588 -4.815 1.00 0.00 N ATOM 481 CA ALA A 38 -16.662 -1.300 -5.555 1.00 0.00 C ATOM 482 C ALA A 38 -15.430 -1.730 -4.766 1.00 0.00 C ATOM 483 O ALA A 38 -15.272 -1.374 -3.598 1.00 0.00 O ATOM 484 CB ALA A 38 -16.585 0.182 -5.891 1.00 0.00 C ATOM 0 H ALA A 38 -17.789 -1.527 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.685 -1.871 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.667 0.383 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.444 0.462 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.589 0.765 -4.970 1.00 0.00 H new ATOM 490 N VAL A 39 -14.558 -2.499 -5.411 1.00 0.00 N ATOM 491 CA VAL A 39 -13.339 -2.977 -4.770 1.00 0.00 C ATOM 492 C VAL A 39 -12.143 -2.861 -5.708 1.00 0.00 C ATOM 493 O VAL A 39 -12.295 -2.865 -6.930 1.00 0.00 O ATOM 494 CB VAL A 39 -13.482 -4.443 -4.317 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.103 -5.390 -5.445 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.632 -4.703 -3.082 1.00 0.00 C ATOM 0 H VAL A 39 -14.674 -2.804 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.173 -2.348 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.525 -4.626 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.210 -6.421 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.758 -5.219 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.069 -5.210 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.744 -5.743 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.585 -4.504 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.956 -4.049 -2.273 1.00 0.00 H new ATOM 506 N VAL A 40 -10.951 -2.759 -5.128 1.00 0.00 N ATOM 507 CA VAL A 40 -9.727 -2.643 -5.912 1.00 0.00 C ATOM 508 C VAL A 40 -8.703 -3.690 -5.489 1.00 0.00 C ATOM 509 O VAL A 40 -8.034 -3.542 -4.465 1.00 0.00 O ATOM 510 CB VAL A 40 -9.102 -1.243 -5.772 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.791 -1.164 -6.541 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.074 -0.175 -6.250 1.00 0.00 C ATOM 0 H VAL A 40 -10.807 -2.754 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.001 -2.807 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.890 -1.063 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.364 -0.167 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.093 -1.903 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.976 -1.365 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.615 0.808 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.320 -0.349 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.984 -0.217 -5.652 1.00 0.00 H new ATOM 522 N LYS A 41 -8.584 -4.748 -6.283 1.00 0.00 N ATOM 523 CA LYS A 41 -7.640 -5.821 -5.993 1.00 0.00 C ATOM 524 C LYS A 41 -6.460 -5.783 -6.959 1.00 0.00 C ATOM 525 O LYS A 41 -6.642 -5.781 -8.176 1.00 0.00 O ATOM 526 CB LYS A 41 -8.338 -7.180 -6.077 1.00 0.00 C ATOM 527 CG LYS A 41 -7.446 -8.291 -6.603 1.00 0.00 C ATOM 528 CD LYS A 41 -8.257 -9.504 -7.026 1.00 0.00 C ATOM 529 CE LYS A 41 -7.419 -10.774 -6.992 1.00 0.00 C ATOM 530 NZ LYS A 41 -8.067 -11.886 -7.742 1.00 0.00 N ATOM 0 H LYS A 41 -9.130 -4.886 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.263 -5.675 -4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.700 -7.455 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.212 -7.091 -6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.869 -7.924 -7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.731 -8.581 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.117 -9.616 -6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.646 -9.350 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.436 -10.572 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.261 -11.077 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.372 -12.640 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.858 -12.266 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.424 -11.530 -8.652 1.00 0.00 H new ATOM 544 N ALA A 42 -5.251 -5.754 -6.408 1.00 0.00 N ATOM 545 CA ALA A 42 -4.042 -5.720 -7.222 1.00 0.00 C ATOM 546 C ALA A 42 -3.648 -7.120 -7.678 1.00 0.00 C ATOM 547 O ALA A 42 -3.945 -7.523 -8.803 1.00 0.00 O ATOM 548 CB ALA A 42 -2.902 -5.075 -6.446 1.00 0.00 C ATOM 0 H ALA A 42 -5.083 -5.753 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.248 -5.122 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.005 -5.056 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.177 -4.056 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.706 -5.651 -5.541 1.00 0.00 H new ATOM 554 N ARG A 43 -2.976 -7.857 -6.799 1.00 0.00 N ATOM 555 CA ARG A 43 -2.540 -9.212 -7.114 1.00 0.00 C ATOM 556 C ARG A 43 -3.492 -10.243 -6.515 1.00 0.00 C ATOM 557 O ARG A 43 -4.329 -10.812 -7.217 1.00 0.00 O ATOM 558 CB ARG A 43 -1.122 -9.448 -6.591 1.00 0.00 C ATOM 559 CG ARG A 43 -0.310 -10.409 -7.445 1.00 0.00 C ATOM 560 CD ARG A 43 1.158 -10.402 -7.048 1.00 0.00 C ATOM 561 NE ARG A 43 1.942 -11.351 -7.834 1.00 0.00 N ATOM 562 CZ ARG A 43 3.224 -11.175 -8.132 1.00 0.00 C ATOM 563 NH1 ARG A 43 3.864 -10.093 -7.712 1.00 0.00 N ATOM 564 NH2 ARG A 43 3.870 -12.084 -8.852 1.00 0.00 N ATOM 0 H ARG A 43 -2.722 -7.539 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.545 -9.325 -8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.600 -8.493 -6.538 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.179 -9.838 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.711 -11.417 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.405 -10.134 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.564 -9.399 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.248 -10.646 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 43 1.480 -12.195 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.372 -9.392 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.849 -9.961 -7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.382 -12.918 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.855 -11.948 -9.080 1.00 0.00 H new ATOM 578 N ASP A 44 -3.359 -10.479 -5.214 1.00 0.00 N ATOM 579 CA ASP A 44 -4.208 -11.441 -4.521 1.00 0.00 C ATOM 580 C ASP A 44 -5.034 -10.754 -3.438 1.00 0.00 C ATOM 581 O ASP A 44 -6.114 -11.222 -3.075 1.00 0.00 O ATOM 582 CB ASP A 44 -3.357 -12.551 -3.903 1.00 0.00 C ATOM 583 CG ASP A 44 -2.366 -13.137 -4.888 1.00 0.00 C ATOM 584 OD1 ASP A 44 -1.576 -12.362 -5.467 1.00 0.00 O ATOM 585 OD2 ASP A 44 -2.380 -14.371 -5.083 1.00 0.00 O ATOM 0 H ASP A 44 -2.672 -10.017 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.890 -11.879 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.818 -12.155 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.010 -13.342 -3.534 1.00 0.00 H new ATOM 590 N LYS A 45 -4.520 -9.642 -2.924 1.00 0.00 N ATOM 591 CA LYS A 45 -5.209 -8.889 -1.883 1.00 0.00 C ATOM 592 C LYS A 45 -6.232 -7.933 -2.489 1.00 0.00 C ATOM 593 O LYS A 45 -6.227 -7.687 -3.695 1.00 0.00 O ATOM 594 CB LYS A 45 -4.201 -8.107 -1.038 1.00 0.00 C ATOM 595 CG LYS A 45 -3.629 -8.905 0.121 1.00 0.00 C ATOM 596 CD LYS A 45 -3.174 -7.998 1.252 1.00 0.00 C ATOM 597 CE LYS A 45 -1.894 -7.259 0.892 1.00 0.00 C ATOM 598 NZ LYS A 45 -0.711 -8.163 0.899 1.00 0.00 N ATOM 0 H LYS A 45 -3.627 -9.242 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.735 -9.598 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.383 -7.775 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.684 -7.211 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.382 -9.600 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.787 -9.503 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.959 -7.278 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.013 -8.590 2.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.000 -6.808 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.733 -6.445 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.155 -7.600 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.797 -8.842 1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.663 -8.679 -0.003 1.00 0.00 H new ATOM 612 N TYR A 46 -7.105 -7.396 -1.644 1.00 0.00 N ATOM 613 CA TYR A 46 -8.134 -6.467 -2.097 1.00 0.00 C ATOM 614 C TYR A 46 -8.121 -5.190 -1.263 1.00 0.00 C ATOM 615 O TYR A 46 -7.813 -5.218 -0.071 1.00 0.00 O ATOM 616 CB TYR A 46 -9.513 -7.125 -2.022 1.00 0.00 C ATOM 617 CG TYR A 46 -9.627 -8.389 -2.842 1.00 0.00 C ATOM 618 CD1 TYR A 46 -8.808 -9.483 -2.586 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.552 -8.491 -3.874 1.00 0.00 C ATOM 620 CE1 TYR A 46 -8.908 -10.640 -3.334 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.659 -9.645 -4.626 1.00 0.00 C ATOM 622 CZ TYR A 46 -9.835 -10.717 -4.352 1.00 0.00 C ATOM 623 OH TYR A 46 -9.938 -11.867 -5.100 1.00 0.00 O ATOM 0 H TYR A 46 -7.121 -7.588 -0.642 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.920 -6.204 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.740 -7.356 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.265 -6.413 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.081 -9.427 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.198 -7.654 -4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.263 -11.480 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.384 -9.708 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.640 -11.756 -5.775 1.00 0.00 H new ATOM 633 N ARG A 47 -8.457 -4.072 -1.898 1.00 0.00 N ATOM 634 CA ARG A 47 -8.483 -2.784 -1.216 1.00 0.00 C ATOM 635 C ARG A 47 -9.588 -1.894 -1.778 1.00 0.00 C ATOM 636 O ARG A 47 -9.859 -1.907 -2.979 1.00 0.00 O ATOM 637 CB ARG A 47 -7.130 -2.083 -1.351 1.00 0.00 C ATOM 638 CG ARG A 47 -5.993 -2.816 -0.659 1.00 0.00 C ATOM 639 CD ARG A 47 -5.863 -2.396 0.797 1.00 0.00 C ATOM 640 NE ARG A 47 -4.772 -3.092 1.472 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.523 -2.641 1.508 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.209 -1.500 0.910 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.584 -3.332 2.143 1.00 0.00 N ATOM 0 H ARG A 47 -8.715 -4.032 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.686 -2.964 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.891 -1.974 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.208 -1.078 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.165 -3.891 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.058 -2.615 -1.182 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.695 -1.320 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.799 -2.598 1.318 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.980 -3.973 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.927 -0.966 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.249 -1.156 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.821 -4.210 2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.625 -2.985 2.170 1.00 0.00 H new ATOM 657 N HIS A 48 -10.222 -1.122 -0.901 1.00 0.00 N ATOM 658 CA HIS A 48 -11.298 -0.225 -1.310 1.00 0.00 C ATOM 659 C HIS A 48 -10.832 0.710 -2.422 1.00 0.00 C ATOM 660 O HIS A 48 -9.636 0.888 -2.656 1.00 0.00 O ATOM 661 CB HIS A 48 -11.792 0.590 -0.115 1.00 0.00 C ATOM 662 CG HIS A 48 -12.922 -0.056 0.625 1.00 0.00 C ATOM 663 ND1 HIS A 48 -12.983 -0.117 2.001 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.040 -0.670 0.173 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.089 -0.742 2.364 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.748 -1.088 1.273 1.00 0.00 N ATOM 0 H HIS A 48 -10.010 -1.099 0.096 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.120 -0.832 -1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.962 0.750 0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.111 1.573 -0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.323 -0.806 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.401 -0.937 3.379 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.638 -1.585 1.251 1.00 0.00 H new ATOM 674 N PRO A 49 -11.797 1.322 -3.124 1.00 0.00 N ATOM 675 CA PRO A 49 -11.510 2.248 -4.223 1.00 0.00 C ATOM 676 C PRO A 49 -10.901 3.558 -3.733 1.00 0.00 C ATOM 677 O PRO A 49 -10.409 4.359 -4.527 1.00 0.00 O ATOM 678 CB PRO A 49 -12.886 2.499 -4.845 1.00 0.00 C ATOM 679 CG PRO A 49 -13.853 2.243 -3.741 1.00 0.00 C ATOM 680 CD PRO A 49 -13.243 1.156 -2.900 1.00 0.00 C ATOM 0 HA PRO A 49 -10.780 1.838 -4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.972 3.520 -5.218 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.065 1.835 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.020 3.145 -3.152 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.822 1.935 -4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.502 1.269 -1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.587 0.169 -3.208 1.00 0.00 H new ATOM 688 N GLU A 50 -10.937 3.767 -2.421 1.00 0.00 N ATOM 689 CA GLU A 50 -10.388 4.981 -1.826 1.00 0.00 C ATOM 690 C GLU A 50 -9.236 4.651 -0.882 1.00 0.00 C ATOM 691 O GLU A 50 -8.340 5.468 -0.668 1.00 0.00 O ATOM 692 CB GLU A 50 -11.479 5.743 -1.071 1.00 0.00 C ATOM 693 CG GLU A 50 -11.977 5.023 0.170 1.00 0.00 C ATOM 694 CD GLU A 50 -13.339 5.513 0.622 1.00 0.00 C ATOM 695 OE1 GLU A 50 -14.351 5.093 0.022 1.00 0.00 O ATOM 696 OE2 GLU A 50 -13.393 6.318 1.576 1.00 0.00 O ATOM 0 H GLU A 50 -11.340 3.113 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.006 5.609 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.094 6.721 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.320 5.916 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.029 3.953 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.259 5.161 0.978 1.00 0.00 H new ATOM 703 N CYS A 51 -9.267 3.448 -0.318 1.00 0.00 N ATOM 704 CA CYS A 51 -8.228 3.008 0.605 1.00 0.00 C ATOM 705 C CYS A 51 -6.920 2.742 -0.136 1.00 0.00 C ATOM 706 O CYS A 51 -5.834 2.966 0.399 1.00 0.00 O ATOM 707 CB CYS A 51 -8.674 1.745 1.344 1.00 0.00 C ATOM 708 SG CYS A 51 -10.001 2.025 2.560 1.00 0.00 S ATOM 0 H CYS A 51 -10.001 2.760 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.060 3.804 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.014 1.011 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.813 1.312 1.854 1.00 0.00 H new ATOM 713 N PHE A 52 -7.032 2.263 -1.370 1.00 0.00 N ATOM 714 CA PHE A 52 -5.860 1.966 -2.185 1.00 0.00 C ATOM 715 C PHE A 52 -4.928 3.172 -2.258 1.00 0.00 C ATOM 716 O PHE A 52 -5.181 4.122 -2.999 1.00 0.00 O ATOM 717 CB PHE A 52 -6.284 1.549 -3.595 1.00 0.00 C ATOM 718 CG PHE A 52 -5.390 0.510 -4.207 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.010 -0.610 -3.484 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.929 0.652 -5.506 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.187 -1.567 -4.045 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.105 -0.303 -6.073 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.734 -1.414 -5.341 1.00 0.00 C ATOM 0 H PHE A 52 -7.923 2.072 -1.828 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.323 1.142 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.303 1.165 -3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.297 2.430 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.361 -0.736 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.217 1.519 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.898 -2.435 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.752 -0.180 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.091 -2.162 -5.781 1.00 0.00 H new ATOM 733 N VAL A 53 -3.849 3.127 -1.482 1.00 0.00 N ATOM 734 CA VAL A 53 -2.879 4.214 -1.459 1.00 0.00 C ATOM 735 C VAL A 53 -1.537 3.741 -0.912 1.00 0.00 C ATOM 736 O VAL A 53 -1.420 2.628 -0.399 1.00 0.00 O ATOM 737 CB VAL A 53 -3.380 5.395 -0.607 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.719 5.898 -1.125 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.484 4.991 0.856 1.00 0.00 C ATOM 0 H VAL A 53 -3.625 2.349 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.752 4.547 -2.489 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.658 6.208 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.057 6.732 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.608 6.229 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.453 5.093 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.839 5.838 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.184 4.161 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.503 4.684 1.219 1.00 0.00 H new ATOM 749 N CYS A 54 -0.524 4.595 -1.024 1.00 0.00 N ATOM 750 CA CYS A 54 0.811 4.266 -0.541 1.00 0.00 C ATOM 751 C CYS A 54 0.827 4.156 0.981 1.00 0.00 C ATOM 752 O CYS A 54 -0.129 4.542 1.652 1.00 0.00 O ATOM 753 CB CYS A 54 1.817 5.325 -0.997 1.00 0.00 C ATOM 754 SG CYS A 54 3.559 4.835 -0.788 1.00 0.00 S ATOM 0 H CYS A 54 -0.603 5.520 -1.445 1.00 0.00 H new ATOM 0 HA CYS A 54 1.094 3.301 -0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.638 5.552 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.640 6.244 -0.438 1.00 0.00 H new ATOM 759 N ALA A 55 1.922 3.626 1.519 1.00 0.00 N ATOM 760 CA ALA A 55 2.064 3.467 2.960 1.00 0.00 C ATOM 761 C ALA A 55 3.015 4.511 3.537 1.00 0.00 C ATOM 762 O ALA A 55 3.228 4.569 4.748 1.00 0.00 O ATOM 763 CB ALA A 55 2.554 2.065 3.291 1.00 0.00 C ATOM 0 H ALA A 55 2.723 3.300 0.978 1.00 0.00 H new ATOM 0 HA ALA A 55 1.084 3.615 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.656 1.961 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.837 1.332 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.521 1.896 2.818 1.00 0.00 H new ATOM 769 N ASP A 56 3.583 5.334 2.662 1.00 0.00 N ATOM 770 CA ASP A 56 4.511 6.376 3.084 1.00 0.00 C ATOM 771 C ASP A 56 3.956 7.761 2.762 1.00 0.00 C ATOM 772 O ASP A 56 4.103 8.698 3.547 1.00 0.00 O ATOM 773 CB ASP A 56 5.868 6.186 2.405 1.00 0.00 C ATOM 774 CG ASP A 56 7.005 6.796 3.202 1.00 0.00 C ATOM 775 OD1 ASP A 56 6.846 6.961 4.430 1.00 0.00 O ATOM 776 OD2 ASP A 56 8.052 7.108 2.599 1.00 0.00 O ATOM 0 H ASP A 56 3.417 5.299 1.656 1.00 0.00 H new ATOM 0 HA ASP A 56 4.640 6.298 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.056 5.121 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.841 6.637 1.413 1.00 0.00 H new ATOM 781 N CYS A 57 3.320 7.882 1.602 1.00 0.00 N ATOM 782 CA CYS A 57 2.744 9.151 1.174 1.00 0.00 C ATOM 783 C CYS A 57 1.231 9.035 1.012 1.00 0.00 C ATOM 784 O CYS A 57 0.538 10.036 0.835 1.00 0.00 O ATOM 785 CB CYS A 57 3.376 9.603 -0.144 1.00 0.00 C ATOM 786 SG CYS A 57 3.238 8.384 -1.491 1.00 0.00 S ATOM 0 H CYS A 57 3.190 7.116 0.941 1.00 0.00 H new ATOM 0 HA CYS A 57 2.953 9.894 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.904 10.533 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.430 9.822 0.027 1.00 0.00 H new ATOM 791 N ASN A 58 0.727 7.807 1.075 1.00 0.00 N ATOM 792 CA ASN A 58 -0.703 7.560 0.935 1.00 0.00 C ATOM 793 C ASN A 58 -1.212 8.059 -0.414 1.00 0.00 C ATOM 794 O ASN A 58 -2.248 8.721 -0.493 1.00 0.00 O ATOM 795 CB ASN A 58 -1.473 8.243 2.068 1.00 0.00 C ATOM 796 CG ASN A 58 -2.753 7.510 2.421 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.722 6.451 3.048 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.886 8.072 2.018 1.00 0.00 N ATOM 0 H ASN A 58 1.288 6.968 1.222 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.868 6.484 0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.837 8.304 2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.712 9.266 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.779 7.625 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.864 8.951 1.501 1.00 0.00 H new ATOM 805 N LEU A 59 -0.478 7.736 -1.473 1.00 0.00 N ATOM 806 CA LEU A 59 -0.855 8.151 -2.820 1.00 0.00 C ATOM 807 C LEU A 59 -1.696 7.078 -3.504 1.00 0.00 C ATOM 808 O LEU A 59 -1.360 5.895 -3.468 1.00 0.00 O ATOM 809 CB LEU A 59 0.395 8.444 -3.653 1.00 0.00 C ATOM 810 CG LEU A 59 0.258 9.547 -4.702 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.577 9.760 -5.428 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.848 9.209 -5.691 1.00 0.00 C ATOM 0 H LEU A 59 0.381 7.188 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.452 9.059 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.204 8.714 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.695 7.525 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.008 10.474 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.460 10.549 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.345 10.048 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.873 8.836 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.931 10.006 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.613 8.271 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.794 9.108 -5.159 1.00 0.00 H new ATOM 824 N ASN A 60 -2.789 7.500 -4.130 1.00 0.00 N ATOM 825 CA ASN A 60 -3.678 6.576 -4.825 1.00 0.00 C ATOM 826 C ASN A 60 -2.898 5.706 -5.806 1.00 0.00 C ATOM 827 O ASN A 60 -2.438 6.182 -6.845 1.00 0.00 O ATOM 828 CB ASN A 60 -4.772 7.347 -5.566 1.00 0.00 C ATOM 829 CG ASN A 60 -5.770 7.987 -4.621 1.00 0.00 C ATOM 830 OD1 ASN A 60 -5.810 9.209 -4.477 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.582 7.161 -3.971 1.00 0.00 N ATOM 0 H ASN A 60 -3.081 8.476 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.142 5.928 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.314 8.120 -6.183 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.297 6.670 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.275 7.533 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.513 6.155 -4.122 1.00 0.00 H new ATOM 838 N LEU A 61 -2.754 4.429 -5.471 1.00 0.00 N ATOM 839 CA LEU A 61 -2.031 3.491 -6.323 1.00 0.00 C ATOM 840 C LEU A 61 -2.979 2.795 -7.295 1.00 0.00 C ATOM 841 O LEU A 61 -2.628 1.785 -7.905 1.00 0.00 O ATOM 842 CB LEU A 61 -1.305 2.451 -5.468 1.00 0.00 C ATOM 843 CG LEU A 61 -0.521 2.993 -4.272 1.00 0.00 C ATOM 844 CD1 LEU A 61 -0.058 1.855 -3.377 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.665 3.821 -4.743 1.00 0.00 C ATOM 0 H LEU A 61 -3.128 4.019 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.298 4.054 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.040 1.735 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.616 1.900 -6.109 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.181 3.638 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.498 2.260 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.925 1.304 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.585 1.183 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.211 4.199 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.326 3.199 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.309 4.659 -5.342 1.00 0.00 H new ATOM 857 N LYS A 62 -4.181 3.344 -7.435 1.00 0.00 N ATOM 858 CA LYS A 62 -5.179 2.779 -8.335 1.00 0.00 C ATOM 859 C LYS A 62 -4.727 2.889 -9.788 1.00 0.00 C ATOM 860 O LYS A 62 -4.481 1.880 -10.447 1.00 0.00 O ATOM 861 CB LYS A 62 -6.521 3.492 -8.153 1.00 0.00 C ATOM 862 CG LYS A 62 -7.520 3.201 -9.260 1.00 0.00 C ATOM 863 CD LYS A 62 -8.185 1.848 -9.069 1.00 0.00 C ATOM 864 CE LYS A 62 -8.596 1.237 -10.400 1.00 0.00 C ATOM 865 NZ LYS A 62 -8.628 -0.251 -10.341 1.00 0.00 N ATOM 0 H LYS A 62 -4.487 4.180 -6.937 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.298 1.724 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.954 3.195 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.348 4.567 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.280 3.982 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.013 3.225 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.500 1.174 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.062 1.959 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.580 1.610 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.900 1.555 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.912 -0.629 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.683 -0.609 -10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.311 -0.555 -9.618 1.00 0.00 H new ATOM 879 N GLN A 63 -4.618 4.119 -10.277 1.00 0.00 N ATOM 880 CA GLN A 63 -4.194 4.359 -11.652 1.00 0.00 C ATOM 881 C GLN A 63 -2.686 4.181 -11.795 1.00 0.00 C ATOM 882 O GLN A 63 -2.205 3.644 -12.793 1.00 0.00 O ATOM 883 CB GLN A 63 -4.597 5.767 -12.094 1.00 0.00 C ATOM 884 CG GLN A 63 -4.213 6.851 -11.100 1.00 0.00 C ATOM 885 CD GLN A 63 -4.237 8.238 -11.710 1.00 0.00 C ATOM 886 OE1 GLN A 63 -5.046 9.084 -11.326 1.00 0.00 O ATOM 887 NE2 GLN A 63 -3.349 8.480 -12.667 1.00 0.00 N ATOM 0 H GLN A 63 -4.817 4.965 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.690 3.629 -12.291 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.130 5.985 -13.054 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.675 5.795 -12.250 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.897 6.820 -10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.215 6.646 -10.712 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.697 7.750 -12.954 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.319 9.396 -13.115 1.00 0.00 H new ATOM 896 N LYS A 64 -1.943 4.636 -10.791 1.00 0.00 N ATOM 897 CA LYS A 64 -0.489 4.527 -10.804 1.00 0.00 C ATOM 898 C LYS A 64 -0.050 3.085 -10.568 1.00 0.00 C ATOM 899 O LYS A 64 -0.686 2.347 -9.818 1.00 0.00 O ATOM 900 CB LYS A 64 0.120 5.438 -9.735 1.00 0.00 C ATOM 901 CG LYS A 64 -0.218 6.906 -9.923 1.00 0.00 C ATOM 902 CD LYS A 64 0.427 7.769 -8.851 1.00 0.00 C ATOM 903 CE LYS A 64 0.130 9.244 -9.070 1.00 0.00 C ATOM 904 NZ LYS A 64 -1.331 9.528 -9.031 1.00 0.00 N ATOM 0 H LYS A 64 -2.324 5.084 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.134 4.841 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.229 5.116 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.203 5.319 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.118 7.234 -10.907 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.300 7.038 -9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.063 7.465 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.505 7.609 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.635 9.833 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.535 9.557 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.483 10.553 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.775 9.184 -9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.757 9.046 -8.214 1.00 0.00 H new ATOM 918 N GLY A 65 1.043 2.691 -11.215 1.00 0.00 N ATOM 919 CA GLY A 65 1.549 1.340 -11.062 1.00 0.00 C ATOM 920 C GLY A 65 1.803 0.977 -9.612 1.00 0.00 C ATOM 921 O GLY A 65 2.807 1.387 -9.029 1.00 0.00 O ATOM 0 H GLY A 65 1.587 3.284 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.834 0.637 -11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.475 1.236 -11.627 1.00 0.00 H new ATOM 925 N TYR A 66 0.892 0.207 -9.028 1.00 0.00 N ATOM 926 CA TYR A 66 1.020 -0.207 -7.636 1.00 0.00 C ATOM 927 C TYR A 66 2.250 -1.088 -7.441 1.00 0.00 C ATOM 928 O TYR A 66 2.855 -1.554 -8.407 1.00 0.00 O ATOM 929 CB TYR A 66 -0.235 -0.959 -7.189 1.00 0.00 C ATOM 930 CG TYR A 66 -0.331 -2.362 -7.744 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.307 -3.425 -7.115 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.060 -2.626 -8.897 1.00 0.00 C ATOM 933 CE1 TYR A 66 0.223 -4.708 -7.620 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.151 -3.906 -9.408 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.507 -4.943 -8.766 1.00 0.00 C ATOM 936 OH TYR A 66 -0.595 -6.221 -9.271 1.00 0.00 O ATOM 0 H TYR A 66 0.057 -0.143 -9.497 1.00 0.00 H new ATOM 0 HA TYR A 66 1.136 0.689 -7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.251 -1.006 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.115 -0.395 -7.497 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.878 -3.245 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.564 -1.816 -9.403 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.726 -5.522 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.723 -4.094 -10.305 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.147 -6.215 -10.081 1.00 0.00 H new ATOM 946 N PHE A 67 2.616 -1.312 -6.183 1.00 0.00 N ATOM 947 CA PHE A 67 3.774 -2.136 -5.859 1.00 0.00 C ATOM 948 C PHE A 67 3.520 -2.961 -4.601 1.00 0.00 C ATOM 949 O PHE A 67 2.694 -2.598 -3.763 1.00 0.00 O ATOM 950 CB PHE A 67 5.013 -1.258 -5.665 1.00 0.00 C ATOM 951 CG PHE A 67 5.733 -0.946 -6.945 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.143 -0.146 -7.910 1.00 0.00 C ATOM 953 CD2 PHE A 67 7.000 -1.454 -7.184 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.804 0.143 -9.089 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.665 -1.168 -8.361 1.00 0.00 C ATOM 956 CZ PHE A 67 7.066 -0.369 -9.315 1.00 0.00 C ATOM 0 H PHE A 67 2.127 -0.934 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 67 3.947 -2.819 -6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.716 -0.324 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.701 -1.759 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.155 0.256 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.473 -2.080 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.334 0.769 -9.833 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.653 -1.569 -8.535 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.584 -0.145 -10.236 1.00 0.00 H new ATOM 966 N PHE A 68 4.235 -4.074 -4.476 1.00 0.00 N ATOM 967 CA PHE A 68 4.086 -4.953 -3.322 1.00 0.00 C ATOM 968 C PHE A 68 5.434 -5.203 -2.651 1.00 0.00 C ATOM 969 O PHE A 68 6.246 -5.989 -3.138 1.00 0.00 O ATOM 970 CB PHE A 68 3.460 -6.284 -3.745 1.00 0.00 C ATOM 971 CG PHE A 68 1.959 -6.283 -3.695 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.293 -6.074 -2.498 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.215 -6.492 -4.845 1.00 0.00 C ATOM 974 CE1 PHE A 68 -0.088 -6.072 -2.449 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.167 -6.490 -4.801 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.819 -6.282 -3.602 1.00 0.00 C ATOM 0 H PHE A 68 4.923 -4.389 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 68 3.428 -4.461 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.782 -6.522 -4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.837 -7.076 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.860 -5.911 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.720 -6.658 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.595 -5.906 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.736 -6.651 -5.704 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.898 -6.283 -3.566 1.00 0.00 H new ATOM 986 N VAL A 69 5.664 -4.526 -1.530 1.00 0.00 N ATOM 987 CA VAL A 69 6.913 -4.674 -0.791 1.00 0.00 C ATOM 988 C VAL A 69 6.658 -5.194 0.619 1.00 0.00 C ATOM 989 O VAL A 69 6.199 -4.456 1.490 1.00 0.00 O ATOM 990 CB VAL A 69 7.674 -3.338 -0.704 1.00 0.00 C ATOM 991 CG1 VAL A 69 8.961 -3.508 0.089 1.00 0.00 C ATOM 992 CG2 VAL A 69 7.963 -2.798 -2.096 1.00 0.00 C ATOM 0 H VAL A 69 5.003 -3.870 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 69 7.521 -5.395 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 69 7.047 -2.615 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.486 -2.554 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.725 -3.847 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.596 -4.245 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.501 -1.854 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.571 -3.516 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.024 -2.637 -2.626 1.00 0.00 H new ATOM 1002 N GLU A 70 6.960 -6.471 0.836 1.00 0.00 N ATOM 1003 CA GLU A 70 6.764 -7.090 2.141 1.00 0.00 C ATOM 1004 C GLU A 70 5.288 -7.082 2.531 1.00 0.00 C ATOM 1005 O GLU A 70 4.942 -6.864 3.691 1.00 0.00 O ATOM 1006 CB GLU A 70 7.587 -6.361 3.206 1.00 0.00 C ATOM 1007 CG GLU A 70 9.085 -6.570 3.064 1.00 0.00 C ATOM 1008 CD GLU A 70 9.569 -7.823 3.770 1.00 0.00 C ATOM 1009 OE1 GLU A 70 8.795 -8.800 3.841 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.722 -7.825 4.250 1.00 0.00 O ATOM 0 H GLU A 70 7.341 -7.096 0.125 1.00 0.00 H new ATOM 0 HA GLU A 70 7.100 -8.125 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.371 -5.294 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.273 -6.702 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.341 -6.632 2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.609 -5.704 3.469 1.00 0.00 H new ATOM 1017 N GLY A 71 4.422 -7.321 1.550 1.00 0.00 N ATOM 1018 CA GLY A 71 2.994 -7.336 1.809 1.00 0.00 C ATOM 1019 C GLY A 71 2.375 -5.956 1.723 1.00 0.00 C ATOM 1020 O GLY A 71 1.223 -5.810 1.316 1.00 0.00 O ATOM 0 H GLY A 71 4.684 -7.504 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.505 -7.996 1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.812 -7.751 2.800 1.00 0.00 H new ATOM 1024 N GLU A 72 3.141 -4.940 2.108 1.00 0.00 N ATOM 1025 CA GLU A 72 2.658 -3.564 2.075 1.00 0.00 C ATOM 1026 C GLU A 72 2.742 -2.992 0.662 1.00 0.00 C ATOM 1027 O GLU A 72 3.532 -3.456 -0.161 1.00 0.00 O ATOM 1028 CB GLU A 72 3.466 -2.693 3.038 1.00 0.00 C ATOM 1029 CG GLU A 72 2.771 -1.395 3.414 1.00 0.00 C ATOM 1030 CD GLU A 72 1.632 -1.606 4.394 1.00 0.00 C ATOM 1031 OE1 GLU A 72 1.704 -2.566 5.188 1.00 0.00 O ATOM 1032 OE2 GLU A 72 0.670 -0.811 4.365 1.00 0.00 O ATOM 0 H GLU A 72 4.098 -5.043 2.446 1.00 0.00 H new ATOM 0 HA GLU A 72 1.614 -3.565 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.670 -3.262 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.429 -2.461 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.499 -0.711 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.386 -0.919 2.512 1.00 0.00 H new ATOM 1039 N LEU A 73 1.922 -1.984 0.389 1.00 0.00 N ATOM 1040 CA LEU A 73 1.902 -1.348 -0.924 1.00 0.00 C ATOM 1041 C LEU A 73 2.742 -0.075 -0.925 1.00 0.00 C ATOM 1042 O LEU A 73 3.090 0.452 0.132 1.00 0.00 O ATOM 1043 CB LEU A 73 0.464 -1.024 -1.334 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.257 -2.095 -2.154 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.750 -2.069 -1.870 1.00 0.00 C ATOM 1046 CD2 LEU A 73 0.009 -1.897 -3.640 1.00 0.00 C ATOM 0 H LEU A 73 1.262 -1.589 1.059 1.00 0.00 H new ATOM 0 HA LEU A 73 2.330 -2.045 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.116 -0.834 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.471 -0.098 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 73 0.130 -3.071 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.246 -2.838 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.922 -2.259 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.153 -1.091 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.511 -2.668 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.351 -0.915 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.080 -1.967 -3.830 1.00 0.00 H new ATOM 1058 N TYR A 74 3.063 0.415 -2.117 1.00 0.00 N ATOM 1059 CA TYR A 74 3.862 1.626 -2.256 1.00 0.00 C ATOM 1060 C TYR A 74 3.780 2.173 -3.678 1.00 0.00 C ATOM 1061 O TYR A 74 3.542 1.429 -4.630 1.00 0.00 O ATOM 1062 CB TYR A 74 5.320 1.345 -1.889 1.00 0.00 C ATOM 1063 CG TYR A 74 5.537 1.105 -0.412 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.596 2.166 0.484 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.682 -0.183 0.088 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.795 1.951 1.834 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.880 -0.408 1.437 1.00 0.00 C ATOM 1068 CZ TYR A 74 5.936 0.662 2.305 1.00 0.00 C ATOM 1069 OH TYR A 74 6.133 0.444 3.650 1.00 0.00 O ATOM 0 H TYR A 74 2.782 -0.008 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 74 3.461 2.376 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.664 0.473 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.935 2.188 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.484 3.176 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.639 -1.023 -0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.840 2.787 2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.990 -1.416 1.809 1.00 0.00 H new ATOM 0 HH TYR A 74 6.212 -0.518 3.817 1.00 0.00 H new ATOM 1079 N CYS A 75 3.981 3.479 -3.815 1.00 0.00 N ATOM 1080 CA CYS A 75 3.931 4.129 -5.119 1.00 0.00 C ATOM 1081 C CYS A 75 5.197 3.838 -5.921 1.00 0.00 C ATOM 1082 O CYS A 75 6.193 3.364 -5.375 1.00 0.00 O ATOM 1083 CB CYS A 75 3.755 5.639 -4.954 1.00 0.00 C ATOM 1084 SG CYS A 75 5.061 6.437 -3.966 1.00 0.00 S ATOM 0 H CYS A 75 4.180 4.109 -3.038 1.00 0.00 H new ATOM 0 HA CYS A 75 3.076 3.728 -5.664 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.728 6.101 -5.941 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.790 5.832 -4.485 1.00 0.00 H new ATOM 1089 N GLU A 76 5.149 4.126 -7.218 1.00 0.00 N ATOM 1090 CA GLU A 76 6.291 3.895 -8.094 1.00 0.00 C ATOM 1091 C GLU A 76 7.560 4.507 -7.506 1.00 0.00 C ATOM 1092 O GLU A 76 8.641 3.923 -7.588 1.00 0.00 O ATOM 1093 CB GLU A 76 6.025 4.481 -9.482 1.00 0.00 C ATOM 1094 CG GLU A 76 7.021 4.027 -10.535 1.00 0.00 C ATOM 1095 CD GLU A 76 6.717 4.594 -11.909 1.00 0.00 C ATOM 1096 OE1 GLU A 76 5.521 4.728 -12.242 1.00 0.00 O ATOM 1097 OE2 GLU A 76 7.673 4.902 -12.649 1.00 0.00 O ATOM 0 H GLU A 76 4.332 4.519 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 76 6.435 2.818 -8.184 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.021 4.201 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.047 5.569 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.024 4.330 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.018 2.938 -10.587 1.00 0.00 H new ATOM 1104 N THR A 77 7.420 5.689 -6.913 1.00 0.00 N ATOM 1105 CA THR A 77 8.553 6.382 -6.314 1.00 0.00 C ATOM 1106 C THR A 77 9.117 5.597 -5.135 1.00 0.00 C ATOM 1107 O THR A 77 10.218 5.051 -5.209 1.00 0.00 O ATOM 1108 CB THR A 77 8.160 7.792 -5.836 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.678 8.567 -6.939 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.347 8.497 -5.195 1.00 0.00 C ATOM 0 H THR A 77 6.533 6.186 -6.835 1.00 0.00 H new ATOM 0 HA THR A 77 9.316 6.468 -7.088 1.00 0.00 H new ATOM 0 HB THR A 77 7.371 7.692 -5.091 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.429 9.462 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.045 9.491 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.693 7.920 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.154 8.586 -5.923 1.00 0.00 H new ATOM 1118 N HIS A 78 8.355 5.543 -4.047 1.00 0.00 N ATOM 1119 CA HIS A 78 8.778 4.823 -2.851 1.00 0.00 C ATOM 1120 C HIS A 78 9.081 3.363 -3.175 1.00 0.00 C ATOM 1121 O HIS A 78 10.176 2.871 -2.903 1.00 0.00 O ATOM 1122 CB HIS A 78 7.698 4.904 -1.772 1.00 0.00 C ATOM 1123 CG HIS A 78 7.685 6.208 -1.035 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.539 6.950 -0.838 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.686 6.902 -0.445 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.836 8.044 -0.160 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.133 8.039 0.091 1.00 0.00 N ATOM 0 H HIS A 78 7.441 5.989 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 78 9.689 5.291 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.723 4.747 -2.233 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.848 4.094 -1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.726 6.615 -0.403 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.138 8.812 0.138 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.641 8.762 0.600 1.00 0.00 H new ATOM 1135 N ALA A 79 8.104 2.676 -3.758 1.00 0.00 N ATOM 1136 CA ALA A 79 8.266 1.274 -4.120 1.00 0.00 C ATOM 1137 C ALA A 79 9.618 1.031 -4.784 1.00 0.00 C ATOM 1138 O ALA A 79 10.395 0.185 -4.341 1.00 0.00 O ATOM 1139 CB ALA A 79 7.138 0.831 -5.039 1.00 0.00 C ATOM 0 H ALA A 79 7.191 3.068 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 79 8.228 0.682 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.273 -0.218 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.183 0.958 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.149 1.435 -5.946 1.00 0.00 H new ATOM 1145 N ARG A 80 9.891 1.778 -5.848 1.00 0.00 N ATOM 1146 CA ARG A 80 11.148 1.643 -6.574 1.00 0.00 C ATOM 1147 C ARG A 80 12.333 1.631 -5.613 1.00 0.00 C ATOM 1148 O ARG A 80 13.267 0.847 -5.773 1.00 0.00 O ATOM 1149 CB ARG A 80 11.306 2.784 -7.581 1.00 0.00 C ATOM 1150 CG ARG A 80 10.753 2.461 -8.959 1.00 0.00 C ATOM 1151 CD ARG A 80 11.281 3.424 -10.011 1.00 0.00 C ATOM 1152 NE ARG A 80 12.568 2.994 -10.550 1.00 0.00 N ATOM 1153 CZ ARG A 80 13.450 3.823 -11.097 1.00 0.00 C ATOM 1154 NH1 ARG A 80 13.185 5.120 -11.176 1.00 0.00 N ATOM 1155 NH2 ARG A 80 14.600 3.356 -11.565 1.00 0.00 N ATOM 0 H ARG A 80 9.259 2.483 -6.227 1.00 0.00 H new ATOM 0 HA ARG A 80 11.128 0.694 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.802 3.670 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.363 3.033 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 80 11.023 1.440 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.664 2.507 -8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.558 3.507 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.385 4.417 -9.574 1.00 0.00 H new ATOM 0 HE ARG A 80 12.803 2.002 -10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.302 5.483 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.864 5.755 -11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.808 2.359 -11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 80 15.276 3.994 -11.985 1.00 0.00 H new ATOM 1169 N ALA A 81 12.286 2.506 -4.614 1.00 0.00 N ATOM 1170 CA ALA A 81 13.354 2.596 -3.626 1.00 0.00 C ATOM 1171 C ALA A 81 13.449 1.315 -2.803 1.00 0.00 C ATOM 1172 O ALA A 81 14.527 0.941 -2.341 1.00 0.00 O ATOM 1173 CB ALA A 81 13.133 3.795 -2.716 1.00 0.00 C ATOM 0 H ALA A 81 11.520 3.163 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 81 14.297 2.727 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.938 3.849 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.123 4.707 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.179 3.689 -2.199 1.00 0.00 H new ATOM 1179 N ARG A 82 12.314 0.648 -2.622 1.00 0.00 N ATOM 1180 CA ARG A 82 12.269 -0.589 -1.852 1.00 0.00 C ATOM 1181 C ARG A 82 12.688 -1.779 -2.711 1.00 0.00 C ATOM 1182 O ARG A 82 13.692 -2.436 -2.435 1.00 0.00 O ATOM 1183 CB ARG A 82 10.863 -0.818 -1.295 1.00 0.00 C ATOM 1184 CG ARG A 82 10.369 0.311 -0.406 1.00 0.00 C ATOM 1185 CD ARG A 82 8.850 0.353 -0.351 1.00 0.00 C ATOM 1186 NE ARG A 82 8.352 1.670 0.037 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.502 2.184 1.253 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.133 1.495 2.194 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.021 3.389 1.529 1.00 0.00 N ATOM 0 H ARG A 82 11.413 0.944 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 82 12.970 -0.497 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.169 -0.946 -2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.854 -1.748 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.767 0.184 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.747 1.262 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.445 0.085 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.492 -0.393 0.358 1.00 0.00 H new ATOM 0 HE ARG A 82 7.862 2.226 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.504 0.568 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.247 1.892 3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.535 3.922 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.137 3.783 2.463 1.00 0.00 H new ATOM 1203 N THR A 83 11.910 -2.051 -3.755 1.00 0.00 N ATOM 1204 CA THR A 83 12.198 -3.162 -4.653 1.00 0.00 C ATOM 1205 C THR A 83 13.501 -2.933 -5.411 1.00 0.00 C ATOM 1206 O THR A 83 14.256 -3.872 -5.665 1.00 0.00 O ATOM 1207 CB THR A 83 11.059 -3.375 -5.667 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.432 -4.375 -6.622 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.726 -2.077 -6.388 1.00 0.00 C ATOM 0 H THR A 83 11.076 -1.517 -3.999 1.00 0.00 H new ATOM 0 HA THR A 83 12.293 -4.053 -4.032 1.00 0.00 H new ATOM 0 HB THR A 83 10.175 -3.706 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.701 -4.505 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.919 -2.253 -7.099 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.413 -1.327 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.607 -1.720 -6.921 1.00 0.00 H new ATOM 1217 N SER A 84 13.759 -1.679 -5.769 1.00 0.00 N ATOM 1218 CA SER A 84 14.971 -1.327 -6.500 1.00 0.00 C ATOM 1219 C SER A 84 15.073 -2.125 -7.797 1.00 0.00 C ATOM 1220 O SER A 84 16.144 -2.610 -8.158 1.00 0.00 O ATOM 1221 CB SER A 84 16.207 -1.579 -5.635 1.00 0.00 C ATOM 1222 OG SER A 84 17.372 -1.052 -6.244 1.00 0.00 O ATOM 0 H SER A 84 13.145 -0.890 -5.565 1.00 0.00 H new ATOM 0 HA SER A 84 14.921 -0.267 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.068 -1.123 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.330 -2.650 -5.474 1.00 0.00 H new ATOM 0 HG SER A 84 17.459 -1.413 -7.151 1.00 0.00 H new ATOM 1228 N GLY A 85 13.948 -2.255 -8.494 1.00 0.00 N ATOM 1229 CA GLY A 85 13.931 -2.994 -9.743 1.00 0.00 C ATOM 1230 C GLY A 85 13.070 -4.240 -9.669 1.00 0.00 C ATOM 1231 O GLY A 85 13.551 -5.336 -9.381 1.00 0.00 O ATOM 0 H GLY A 85 13.049 -1.862 -8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.561 -2.348 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.950 -3.276 -10.009 1.00 0.00 H new ATOM 1235 N PRO A 86 11.765 -4.078 -9.930 1.00 0.00 N ATOM 1236 CA PRO A 86 10.807 -5.187 -9.896 1.00 0.00 C ATOM 1237 C PRO A 86 11.015 -6.168 -11.044 1.00 0.00 C ATOM 1238 O PRO A 86 10.239 -7.107 -11.220 1.00 0.00 O ATOM 1239 CB PRO A 86 9.451 -4.489 -10.028 1.00 0.00 C ATOM 1240 CG PRO A 86 9.750 -3.211 -10.733 1.00 0.00 C ATOM 1241 CD PRO A 86 11.123 -2.799 -10.279 1.00 0.00 C ATOM 0 HA PRO A 86 10.908 -5.785 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.746 -5.098 -10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.003 -4.307 -9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.721 -3.346 -11.814 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.012 -2.448 -10.487 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.667 -2.278 -11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.078 -2.125 -9.423 1.00 0.00 H new ATOM 1249 N SER A 87 12.068 -5.944 -11.824 1.00 0.00 N ATOM 1250 CA SER A 87 12.377 -6.807 -12.959 1.00 0.00 C ATOM 1251 C SER A 87 12.002 -8.255 -12.657 1.00 0.00 C ATOM 1252 O SER A 87 11.411 -8.941 -13.492 1.00 0.00 O ATOM 1253 CB SER A 87 13.863 -6.715 -13.307 1.00 0.00 C ATOM 1254 OG SER A 87 14.194 -7.596 -14.367 1.00 0.00 O ATOM 0 H SER A 87 12.722 -5.172 -11.691 1.00 0.00 H new ATOM 0 HA SER A 87 11.790 -6.468 -13.813 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.111 -5.692 -13.589 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.461 -6.957 -12.429 1.00 0.00 H new ATOM 0 HG SER A 87 15.149 -7.517 -14.572 1.00 0.00 H new ATOM 1260 N SER A 88 12.349 -8.712 -11.459 1.00 0.00 N ATOM 1261 CA SER A 88 12.053 -10.080 -11.047 1.00 0.00 C ATOM 1262 C SER A 88 10.548 -10.300 -10.938 1.00 0.00 C ATOM 1263 O SER A 88 10.020 -11.306 -11.412 1.00 0.00 O ATOM 1264 CB SER A 88 12.724 -10.388 -9.707 1.00 0.00 C ATOM 1265 OG SER A 88 12.134 -9.641 -8.658 1.00 0.00 O ATOM 0 H SER A 88 12.835 -8.156 -10.756 1.00 0.00 H new ATOM 0 HA SER A 88 12.447 -10.756 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.640 -11.453 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.788 -10.158 -9.768 1.00 0.00 H new ATOM 0 HG SER A 88 12.579 -9.857 -7.812 1.00 0.00 H new ATOM 1271 N GLY A 89 9.861 -9.352 -10.309 1.00 0.00 N ATOM 1272 CA GLY A 89 8.423 -9.460 -10.147 1.00 0.00 C ATOM 1273 C GLY A 89 7.695 -8.201 -10.575 1.00 0.00 C ATOM 1274 O GLY A 89 6.584 -7.961 -10.103 1.00 0.00 O ATOM 0 H GLY A 89 10.275 -8.510 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.057 -10.304 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.193 -9.672 -9.103 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.277 0.238 3.110 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.687 6.696 -1.704 1.00 0.00 ZN