USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 439 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 42 HIS HD1 : A 42 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0919 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.256 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 3:sc= 0.462 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.953 K(o=-0.95,f=-5.1!) USER MOD Single : A 16 ASN : amide:sc= -0.365 K(o=-0.36,f=-1) USER MOD Single : A 20 SER OG : rot -144:sc= -0.445 USER MOD Single : A 22 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 88:sc= 1.34 USER MOD Single : A 37 THR OG1 : rot -159:sc= 0.0184 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -110:sc= 0.1 (180deg=-0.369) USER MOD Single : A 51 SER OG : rot -55:sc= 0.274 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0821) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 11:sc= 0.63 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.622 11.054 -31.952 1.00 0.00 N ATOM 2 CA GLY A 1 -5.999 10.267 -30.793 1.00 0.00 C ATOM 3 C GLY A 1 -7.442 9.804 -30.850 1.00 0.00 C ATOM 4 O GLY A 1 -8.162 10.111 -31.800 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.804 10.613 -32.420 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.420 11.096 -32.617 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.371 12.017 -31.651 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.345 9.398 -30.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.846 10.859 -29.891 1.00 0.00 H new ATOM 8 N SER A 2 -7.865 9.062 -29.832 1.00 0.00 N ATOM 9 CA SER A 2 -9.229 8.551 -29.773 1.00 0.00 C ATOM 10 C SER A 2 -9.651 8.292 -28.330 1.00 0.00 C ATOM 11 O SER A 2 -8.912 7.684 -27.555 1.00 0.00 O ATOM 12 CB SER A 2 -9.350 7.264 -30.590 1.00 0.00 C ATOM 13 OG SER A 2 -8.854 7.446 -31.905 1.00 0.00 O ATOM 0 H SER A 2 -7.282 8.801 -29.036 1.00 0.00 H new ATOM 0 HA SER A 2 -9.891 9.306 -30.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.798 6.464 -30.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.394 6.953 -30.632 1.00 0.00 H new ATOM 0 HG SER A 2 -8.941 6.608 -32.406 1.00 0.00 H new ATOM 19 N SER A 3 -10.844 8.759 -27.976 1.00 0.00 N ATOM 20 CA SER A 3 -11.364 8.582 -26.625 1.00 0.00 C ATOM 21 C SER A 3 -12.482 7.545 -26.605 1.00 0.00 C ATOM 22 O SER A 3 -13.561 7.768 -27.152 1.00 0.00 O ATOM 23 CB SER A 3 -11.878 9.914 -26.075 1.00 0.00 C ATOM 24 OG SER A 3 -10.809 10.720 -25.608 1.00 0.00 O ATOM 0 H SER A 3 -11.469 9.263 -28.606 1.00 0.00 H new ATOM 0 HA SER A 3 -10.551 8.226 -25.993 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.425 10.446 -26.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.580 9.729 -25.262 1.00 0.00 H new ATOM 0 HG SER A 3 -11.164 11.566 -25.263 1.00 0.00 H new ATOM 30 N GLY A 4 -12.216 6.409 -25.968 1.00 0.00 N ATOM 31 CA GLY A 4 -13.208 5.353 -25.887 1.00 0.00 C ATOM 32 C GLY A 4 -13.075 4.526 -24.624 1.00 0.00 C ATOM 33 O GLY A 4 -12.664 3.367 -24.673 1.00 0.00 O ATOM 0 H GLY A 4 -11.331 6.201 -25.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.205 5.792 -25.926 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.112 4.702 -26.756 1.00 0.00 H new ATOM 37 N SER A 5 -13.420 5.124 -23.488 1.00 0.00 N ATOM 38 CA SER A 5 -13.331 4.437 -22.205 1.00 0.00 C ATOM 39 C SER A 5 -14.034 5.236 -21.111 1.00 0.00 C ATOM 40 O SER A 5 -13.780 6.428 -20.937 1.00 0.00 O ATOM 41 CB SER A 5 -11.867 4.209 -21.825 1.00 0.00 C ATOM 42 OG SER A 5 -11.757 3.322 -20.725 1.00 0.00 O ATOM 0 H SER A 5 -13.764 6.083 -23.430 1.00 0.00 H new ATOM 0 HA SER A 5 -13.828 3.472 -22.302 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.326 3.803 -22.679 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.400 5.162 -21.576 1.00 0.00 H new ATOM 0 HG SER A 5 -10.811 3.192 -20.503 1.00 0.00 H new ATOM 48 N SER A 6 -14.919 4.569 -20.376 1.00 0.00 N ATOM 49 CA SER A 6 -15.662 5.216 -19.302 1.00 0.00 C ATOM 50 C SER A 6 -16.129 4.193 -18.271 1.00 0.00 C ATOM 51 O SER A 6 -16.667 3.143 -18.622 1.00 0.00 O ATOM 52 CB SER A 6 -16.865 5.972 -19.869 1.00 0.00 C ATOM 53 OG SER A 6 -16.450 7.056 -20.682 1.00 0.00 O ATOM 0 H SER A 6 -15.138 3.581 -20.505 1.00 0.00 H new ATOM 0 HA SER A 6 -14.996 5.924 -18.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.484 5.291 -20.454 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.484 6.343 -19.052 1.00 0.00 H new ATOM 0 HG SER A 6 -15.472 7.059 -20.749 1.00 0.00 H new ATOM 59 N GLY A 7 -15.919 4.507 -16.997 1.00 0.00 N ATOM 60 CA GLY A 7 -16.324 3.606 -15.934 1.00 0.00 C ATOM 61 C GLY A 7 -16.111 4.201 -14.556 1.00 0.00 C ATOM 62 O GLY A 7 -15.385 5.181 -14.385 1.00 0.00 O ATOM 0 H GLY A 7 -15.475 5.370 -16.682 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.377 3.353 -16.058 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.761 2.676 -16.016 1.00 0.00 H new ATOM 66 N PRO A 8 -16.755 3.603 -13.543 1.00 0.00 N ATOM 67 CA PRO A 8 -16.648 4.064 -12.155 1.00 0.00 C ATOM 68 C PRO A 8 -15.268 3.802 -11.562 1.00 0.00 C ATOM 69 O PRO A 8 -14.808 2.661 -11.515 1.00 0.00 O ATOM 70 CB PRO A 8 -17.709 3.237 -11.425 1.00 0.00 C ATOM 71 CG PRO A 8 -17.865 2.006 -12.249 1.00 0.00 C ATOM 72 CD PRO A 8 -17.636 2.430 -13.673 1.00 0.00 C ATOM 0 HA PRO A 8 -16.794 5.141 -12.070 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.393 2.996 -10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.650 3.782 -11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.148 1.242 -11.949 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.859 1.576 -12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.167 1.638 -14.257 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.571 2.683 -14.172 1.00 0.00 H new ATOM 80 N SER A 9 -14.612 4.866 -11.110 1.00 0.00 N ATOM 81 CA SER A 9 -13.282 4.752 -10.522 1.00 0.00 C ATOM 82 C SER A 9 -13.261 5.326 -9.109 1.00 0.00 C ATOM 83 O SER A 9 -13.010 6.515 -8.914 1.00 0.00 O ATOM 84 CB SER A 9 -12.253 5.474 -11.394 1.00 0.00 C ATOM 85 OG SER A 9 -10.966 4.899 -11.245 1.00 0.00 O ATOM 0 H SER A 9 -14.980 5.817 -11.140 1.00 0.00 H new ATOM 0 HA SER A 9 -13.025 3.694 -10.469 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.558 5.424 -12.439 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.217 6.529 -11.122 1.00 0.00 H new ATOM 0 HG SER A 9 -10.326 5.377 -11.814 1.00 0.00 H new ATOM 91 N ARG A 10 -13.528 4.471 -8.126 1.00 0.00 N ATOM 92 CA ARG A 10 -13.541 4.893 -6.731 1.00 0.00 C ATOM 93 C ARG A 10 -12.296 5.708 -6.397 1.00 0.00 C ATOM 94 O ARG A 10 -11.233 5.538 -6.996 1.00 0.00 O ATOM 95 CB ARG A 10 -13.629 3.675 -5.809 1.00 0.00 C ATOM 96 CG ARG A 10 -14.863 2.819 -6.047 1.00 0.00 C ATOM 97 CD ARG A 10 -16.101 3.440 -5.421 1.00 0.00 C ATOM 98 NE ARG A 10 -16.737 4.409 -6.310 1.00 0.00 N ATOM 99 CZ ARG A 10 -17.871 5.037 -6.021 1.00 0.00 C ATOM 100 NH1 ARG A 10 -18.491 4.799 -4.873 1.00 0.00 N ATOM 101 NH2 ARG A 10 -18.387 5.905 -6.881 1.00 0.00 N ATOM 0 H ARG A 10 -13.738 3.483 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.418 5.522 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.739 3.061 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.626 4.013 -4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.019 2.694 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.703 1.825 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.814 2.654 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.828 3.930 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.286 4.615 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.097 4.132 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.362 5.283 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.913 6.090 -7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.258 6.387 -6.659 1.00 0.00 H new ATOM 115 N PRO A 11 -12.427 6.615 -5.418 1.00 0.00 N ATOM 116 CA PRO A 11 -11.322 7.475 -4.982 1.00 0.00 C ATOM 117 C PRO A 11 -10.236 6.696 -4.248 1.00 0.00 C ATOM 118 O PRO A 11 -10.212 5.465 -4.279 1.00 0.00 O ATOM 119 CB PRO A 11 -11.999 8.470 -4.036 1.00 0.00 C ATOM 120 CG PRO A 11 -13.205 7.754 -3.533 1.00 0.00 C ATOM 121 CD PRO A 11 -13.663 6.872 -4.661 1.00 0.00 C ATOM 0 HA PRO A 11 -10.814 7.945 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.336 8.752 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.272 9.388 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.968 7.164 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.986 8.458 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.108 5.948 -4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.416 7.365 -5.276 1.00 0.00 H new ATOM 129 N VAL A 12 -9.339 7.420 -3.586 1.00 0.00 N ATOM 130 CA VAL A 12 -8.251 6.797 -2.843 1.00 0.00 C ATOM 131 C VAL A 12 -8.705 6.387 -1.446 1.00 0.00 C ATOM 132 O VAL A 12 -7.927 6.429 -0.492 1.00 0.00 O ATOM 133 CB VAL A 12 -7.041 7.741 -2.721 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.534 8.140 -4.098 1.00 0.00 C ATOM 135 CG2 VAL A 12 -7.405 8.970 -1.901 1.00 0.00 C ATOM 0 H VAL A 12 -9.345 8.439 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.954 5.909 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.240 7.212 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.679 8.807 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.232 7.248 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.327 8.651 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.538 9.626 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.222 9.503 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.716 8.662 -0.903 1.00 0.00 H new ATOM 145 N ARG A 13 -9.968 5.989 -1.333 1.00 0.00 N ATOM 146 CA ARG A 13 -10.526 5.571 -0.052 1.00 0.00 C ATOM 147 C ARG A 13 -9.851 4.296 0.445 1.00 0.00 C ATOM 148 O ARG A 13 -9.247 4.261 1.517 1.00 0.00 O ATOM 149 CB ARG A 13 -12.034 5.349 -0.177 1.00 0.00 C ATOM 150 CG ARG A 13 -12.863 6.565 0.201 1.00 0.00 C ATOM 151 CD ARG A 13 -12.828 6.820 1.699 1.00 0.00 C ATOM 152 NE ARG A 13 -13.609 7.996 2.073 1.00 0.00 N ATOM 153 CZ ARG A 13 -13.797 8.384 3.330 1.00 0.00 C ATOM 154 NH1 ARG A 13 -13.262 7.694 4.328 1.00 0.00 N ATOM 155 NH2 ARG A 13 -14.521 9.465 3.590 1.00 0.00 N ATOM 0 H ARG A 13 -10.624 5.947 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.342 6.364 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.267 5.066 -1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.323 4.511 0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.487 7.441 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.894 6.418 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.214 5.947 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.795 6.954 2.020 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.033 8.550 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.704 6.863 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.408 7.994 5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.934 9.999 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.665 9.762 4.555 1.00 0.00 H new ATOM 169 N PRO A 14 -9.957 3.222 -0.352 1.00 0.00 N ATOM 170 CA PRO A 14 -9.364 1.925 -0.014 1.00 0.00 C ATOM 171 C PRO A 14 -7.841 1.948 -0.082 1.00 0.00 C ATOM 172 O PRO A 14 -7.260 2.494 -1.019 1.00 0.00 O ATOM 173 CB PRO A 14 -9.932 0.986 -1.081 1.00 0.00 C ATOM 174 CG PRO A 14 -10.248 1.873 -2.236 1.00 0.00 C ATOM 175 CD PRO A 14 -10.662 3.192 -1.644 1.00 0.00 C ATOM 0 HA PRO A 14 -9.598 1.624 1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.210 0.218 -1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.823 0.471 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.381 1.992 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.047 1.451 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.370 4.027 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.742 3.253 -1.514 1.00 0.00 H new ATOM 183 N ASN A 15 -7.199 1.351 0.916 1.00 0.00 N ATOM 184 CA ASN A 15 -5.742 1.303 0.969 1.00 0.00 C ATOM 185 C ASN A 15 -5.255 -0.108 1.282 1.00 0.00 C ATOM 186 O ASN A 15 -4.161 -0.295 1.812 1.00 0.00 O ATOM 187 CB ASN A 15 -5.217 2.281 2.023 1.00 0.00 C ATOM 188 CG ASN A 15 -5.471 3.728 1.646 1.00 0.00 C ATOM 189 OD1 ASN A 15 -6.589 4.101 1.288 1.00 0.00 O ATOM 190 ND2 ASN A 15 -4.432 4.551 1.724 1.00 0.00 N ATOM 0 H ASN A 15 -7.665 0.893 1.700 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.358 1.592 -0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.693 2.069 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.147 2.126 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.542 5.536 1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.524 4.198 2.026 1.00 0.00 H new ATOM 197 N ASN A 16 -6.075 -1.099 0.948 1.00 0.00 N ATOM 198 CA ASN A 16 -5.728 -2.494 1.193 1.00 0.00 C ATOM 199 C ASN A 16 -5.076 -3.117 -0.037 1.00 0.00 C ATOM 200 O ASN A 16 -5.746 -3.745 -0.857 1.00 0.00 O ATOM 201 CB ASN A 16 -6.975 -3.291 1.581 1.00 0.00 C ATOM 202 CG ASN A 16 -8.226 -2.779 0.894 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.820 -1.788 1.319 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.632 -3.454 -0.175 1.00 0.00 N ATOM 0 H ASN A 16 -6.984 -0.962 0.507 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.014 -2.525 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.827 -4.340 1.325 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.112 -3.243 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.467 -3.156 -0.679 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.109 -4.270 -0.492 1.00 0.00 H new ATOM 211 N ARG A 17 -3.764 -2.937 -0.160 1.00 0.00 N ATOM 212 CA ARG A 17 -3.021 -3.481 -1.290 1.00 0.00 C ATOM 213 C ARG A 17 -1.518 -3.318 -1.081 1.00 0.00 C ATOM 214 O ARG A 17 -1.075 -2.447 -0.332 1.00 0.00 O ATOM 215 CB ARG A 17 -3.444 -2.788 -2.586 1.00 0.00 C ATOM 216 CG ARG A 17 -4.668 -3.410 -3.238 1.00 0.00 C ATOM 217 CD ARG A 17 -4.697 -3.146 -4.736 1.00 0.00 C ATOM 218 NE ARG A 17 -6.061 -3.077 -5.253 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.371 -3.249 -6.533 1.00 0.00 C ATOM 220 NH1 ARG A 17 -5.418 -3.500 -7.421 1.00 0.00 N ATOM 221 NH2 ARG A 17 -7.635 -3.171 -6.928 1.00 0.00 N ATOM 0 H ARG A 17 -3.195 -2.419 0.509 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.247 -4.545 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.648 -1.738 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.613 -2.816 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.671 -4.485 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.571 -3.007 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.181 -2.210 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.152 -3.936 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.817 -2.886 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.445 -3.561 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.658 -3.632 -8.403 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.371 -2.979 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.871 -3.303 -7.911 1.00 0.00 H new ATOM 235 N CYS A 18 -0.739 -4.163 -1.748 1.00 0.00 N ATOM 236 CA CYS A 18 0.714 -4.115 -1.635 1.00 0.00 C ATOM 237 C CYS A 18 1.311 -3.189 -2.691 1.00 0.00 C ATOM 238 O CYS A 18 0.945 -3.250 -3.865 1.00 0.00 O ATOM 239 CB CYS A 18 1.304 -5.519 -1.780 1.00 0.00 C ATOM 240 SG CYS A 18 3.093 -5.612 -1.447 1.00 0.00 S ATOM 0 H CYS A 18 -1.090 -4.889 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 18 0.964 -3.723 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.783 -6.192 -1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.114 -5.879 -2.791 1.00 0.00 H new ATOM 245 N PHE A 19 2.232 -2.331 -2.265 1.00 0.00 N ATOM 246 CA PHE A 19 2.880 -1.391 -3.172 1.00 0.00 C ATOM 247 C PHE A 19 4.015 -2.067 -3.936 1.00 0.00 C ATOM 248 O PHE A 19 4.933 -1.405 -4.419 1.00 0.00 O ATOM 249 CB PHE A 19 3.419 -0.189 -2.395 1.00 0.00 C ATOM 250 CG PHE A 19 3.866 0.943 -3.276 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.943 1.818 -3.825 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.210 1.130 -3.556 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.351 2.860 -4.636 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.625 2.171 -4.365 1.00 0.00 C ATOM 255 CZ PHE A 19 4.694 3.036 -4.907 1.00 0.00 C ATOM 0 H PHE A 19 2.547 -2.267 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 19 2.136 -1.047 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.645 0.172 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.258 -0.512 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.892 1.684 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.942 0.455 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.621 3.535 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.676 2.308 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.016 3.849 -5.542 1.00 0.00 H new ATOM 265 N SER A 20 3.944 -3.391 -4.040 1.00 0.00 N ATOM 266 CA SER A 20 4.967 -4.158 -4.742 1.00 0.00 C ATOM 267 C SER A 20 4.331 -5.186 -5.673 1.00 0.00 C ATOM 268 O SER A 20 4.801 -5.402 -6.791 1.00 0.00 O ATOM 269 CB SER A 20 5.885 -4.860 -3.739 1.00 0.00 C ATOM 270 OG SER A 20 6.988 -4.039 -3.397 1.00 0.00 O ATOM 0 H SER A 20 3.190 -3.954 -3.647 1.00 0.00 H new ATOM 0 HA SER A 20 5.558 -3.466 -5.342 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.322 -5.111 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.243 -5.798 -4.164 1.00 0.00 H new ATOM 0 HG SER A 20 7.784 -4.596 -3.271 1.00 0.00 H new ATOM 276 N CYS A 21 3.261 -5.817 -5.204 1.00 0.00 N ATOM 277 CA CYS A 21 2.559 -6.824 -5.993 1.00 0.00 C ATOM 278 C CYS A 21 1.087 -6.457 -6.157 1.00 0.00 C ATOM 279 O CYS A 21 0.345 -7.131 -6.870 1.00 0.00 O ATOM 280 CB CYS A 21 2.684 -8.198 -5.331 1.00 0.00 C ATOM 281 SG CYS A 21 2.360 -8.192 -3.538 1.00 0.00 S ATOM 0 H CYS A 21 2.860 -5.650 -4.281 1.00 0.00 H new ATOM 0 HA CYS A 21 3.018 -6.861 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.989 -8.886 -5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.688 -8.584 -5.507 1.00 0.00 H new ATOM 286 N ASN A 22 0.672 -5.384 -5.491 1.00 0.00 N ATOM 287 CA ASN A 22 -0.711 -4.928 -5.563 1.00 0.00 C ATOM 288 C ASN A 22 -1.657 -5.963 -4.962 1.00 0.00 C ATOM 289 O ASN A 22 -2.838 -6.016 -5.308 1.00 0.00 O ATOM 290 CB ASN A 22 -1.102 -4.645 -7.015 1.00 0.00 C ATOM 291 CG ASN A 22 -0.852 -3.202 -7.410 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.290 -2.741 -7.429 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.921 -2.482 -7.729 1.00 0.00 N ATOM 0 H ASN A 22 1.274 -4.815 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.794 -4.007 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.537 -5.303 -7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.157 -4.880 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.815 -1.505 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.848 -2.905 -7.699 1.00 0.00 H new ATOM 300 N LYS A 23 -1.131 -6.784 -4.060 1.00 0.00 N ATOM 301 CA LYS A 23 -1.927 -7.817 -3.409 1.00 0.00 C ATOM 302 C LYS A 23 -2.735 -7.234 -2.254 1.00 0.00 C ATOM 303 O LYS A 23 -2.180 -6.859 -1.221 1.00 0.00 O ATOM 304 CB LYS A 23 -1.023 -8.940 -2.896 1.00 0.00 C ATOM 305 CG LYS A 23 -1.569 -9.649 -1.669 1.00 0.00 C ATOM 306 CD LYS A 23 -0.961 -11.032 -1.507 1.00 0.00 C ATOM 307 CE LYS A 23 -0.824 -11.413 -0.041 1.00 0.00 C ATOM 308 NZ LYS A 23 -2.038 -12.111 0.466 1.00 0.00 N ATOM 0 H LYS A 23 -0.156 -6.754 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.620 -8.224 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.878 -9.670 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.043 -8.526 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.361 -9.053 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.653 -9.734 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.584 -11.766 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.019 -11.058 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.046 -12.057 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.646 -10.516 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.905 -12.354 1.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.864 -11.487 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.194 -12.980 -0.083 1.00 0.00 H new ATOM 322 N LYS A 24 -4.050 -7.162 -2.435 1.00 0.00 N ATOM 323 CA LYS A 24 -4.935 -6.627 -1.408 1.00 0.00 C ATOM 324 C LYS A 24 -4.535 -7.134 -0.026 1.00 0.00 C ATOM 325 O LYS A 24 -4.684 -8.318 0.279 1.00 0.00 O ATOM 326 CB LYS A 24 -6.386 -7.014 -1.704 1.00 0.00 C ATOM 327 CG LYS A 24 -6.673 -8.493 -1.510 1.00 0.00 C ATOM 328 CD LYS A 24 -7.977 -8.899 -2.175 1.00 0.00 C ATOM 329 CE LYS A 24 -8.537 -10.177 -1.569 1.00 0.00 C ATOM 330 NZ LYS A 24 -8.033 -11.391 -2.269 1.00 0.00 N ATOM 0 H LYS A 24 -4.526 -7.468 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.845 -5.541 -1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.046 -6.436 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.625 -6.738 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.854 -9.081 -1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.721 -8.719 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.706 -8.095 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.813 -9.043 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.266 -10.228 -0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.626 -10.155 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.438 -12.240 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.313 -11.356 -3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.996 -11.426 -2.200 1.00 0.00 H new ATOM 344 N VAL A 25 -4.027 -6.231 0.807 1.00 0.00 N ATOM 345 CA VAL A 25 -3.608 -6.587 2.157 1.00 0.00 C ATOM 346 C VAL A 25 -4.712 -6.301 3.169 1.00 0.00 C ATOM 347 O VAL A 25 -4.457 -6.192 4.368 1.00 0.00 O ATOM 348 CB VAL A 25 -2.337 -5.822 2.571 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.140 -6.300 1.763 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.539 -4.324 2.403 1.00 0.00 C ATOM 0 H VAL A 25 -3.896 -5.248 0.570 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.394 -7.656 2.150 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.139 -6.023 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.251 -5.749 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.985 -7.365 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.326 -6.130 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.631 -3.799 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.762 -4.102 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.369 -3.996 3.029 1.00 0.00 H new ATOM 360 N GLY A 26 -5.941 -6.179 2.677 1.00 0.00 N ATOM 361 CA GLY A 26 -7.067 -5.907 3.552 1.00 0.00 C ATOM 362 C GLY A 26 -6.716 -4.937 4.663 1.00 0.00 C ATOM 363 O GLY A 26 -6.051 -3.928 4.430 1.00 0.00 O ATOM 0 H GLY A 26 -6.177 -6.264 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.890 -5.500 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.419 -6.842 3.988 1.00 0.00 H new ATOM 367 N VAL A 27 -7.165 -5.242 5.876 1.00 0.00 N ATOM 368 CA VAL A 27 -6.895 -4.390 7.028 1.00 0.00 C ATOM 369 C VAL A 27 -5.770 -4.962 7.883 1.00 0.00 C ATOM 370 O VAL A 27 -5.675 -4.674 9.076 1.00 0.00 O ATOM 371 CB VAL A 27 -8.151 -4.214 7.903 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.282 -3.597 7.095 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.576 -5.548 8.499 1.00 0.00 C ATOM 0 H VAL A 27 -7.718 -6.073 6.087 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.593 -3.418 6.638 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.910 -3.536 8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.161 -3.480 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.972 -2.621 6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.525 -4.247 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.464 -5.405 9.114 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.800 -6.251 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.769 -5.945 9.114 1.00 0.00 H new ATOM 383 N MET A 28 -4.918 -5.774 7.265 1.00 0.00 N ATOM 384 CA MET A 28 -3.798 -6.386 7.970 1.00 0.00 C ATOM 385 C MET A 28 -2.498 -6.195 7.194 1.00 0.00 C ATOM 386 O MET A 28 -1.645 -7.080 7.165 1.00 0.00 O ATOM 387 CB MET A 28 -4.059 -7.877 8.191 1.00 0.00 C ATOM 388 CG MET A 28 -5.288 -8.159 9.039 1.00 0.00 C ATOM 389 SD MET A 28 -5.898 -9.844 8.839 1.00 0.00 S ATOM 390 CE MET A 28 -7.347 -9.807 9.891 1.00 0.00 C ATOM 0 H MET A 28 -4.982 -6.023 6.278 1.00 0.00 H new ATOM 0 HA MET A 28 -3.699 -5.895 8.938 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.176 -8.364 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.187 -8.323 8.670 1.00 0.00 H new ATOM 0 HG2 MET A 28 -5.048 -7.986 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.078 -7.457 8.772 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.835 -10.781 9.872 1.00 0.00 H new ATOM 0 HE2 MET A 28 -7.049 -9.570 10.912 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.040 -9.047 9.529 1.00 0.00 H new ATOM 400 N GLY A 29 -2.355 -5.032 6.565 1.00 0.00 N ATOM 401 CA GLY A 29 -1.157 -4.746 5.798 1.00 0.00 C ATOM 402 C GLY A 29 -0.092 -4.050 6.622 1.00 0.00 C ATOM 403 O GLY A 29 -0.354 -3.605 7.739 1.00 0.00 O ATOM 0 H GLY A 29 -3.048 -4.283 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.753 -5.677 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.417 -4.121 4.944 1.00 0.00 H new ATOM 407 N PHE A 30 1.113 -3.955 6.070 1.00 0.00 N ATOM 408 CA PHE A 30 2.222 -3.310 6.763 1.00 0.00 C ATOM 409 C PHE A 30 2.505 -1.932 6.171 1.00 0.00 C ATOM 410 O PHE A 30 3.148 -1.812 5.128 1.00 0.00 O ATOM 411 CB PHE A 30 3.478 -4.180 6.681 1.00 0.00 C ATOM 412 CG PHE A 30 3.545 -5.238 7.745 1.00 0.00 C ATOM 413 CD1 PHE A 30 4.140 -4.972 8.968 1.00 0.00 C ATOM 414 CD2 PHE A 30 3.013 -6.498 7.523 1.00 0.00 C ATOM 415 CE1 PHE A 30 4.203 -5.944 9.949 1.00 0.00 C ATOM 416 CE2 PHE A 30 3.073 -7.473 8.500 1.00 0.00 C ATOM 417 CZ PHE A 30 3.668 -7.195 9.715 1.00 0.00 C ATOM 0 H PHE A 30 1.346 -4.316 5.145 1.00 0.00 H new ATOM 0 HA PHE A 30 1.942 -3.187 7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.516 -4.658 5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.358 -3.542 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.559 -3.995 9.157 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.546 -6.721 6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.670 -5.725 10.898 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.655 -8.451 8.314 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.715 -7.955 10.481 1.00 0.00 H new ATOM 427 N LYS A 31 2.020 -0.895 6.845 1.00 0.00 N ATOM 428 CA LYS A 31 2.220 0.476 6.389 1.00 0.00 C ATOM 429 C LYS A 31 3.598 0.989 6.796 1.00 0.00 C ATOM 430 O LYS A 31 3.953 0.974 7.975 1.00 0.00 O ATOM 431 CB LYS A 31 1.134 1.389 6.961 1.00 0.00 C ATOM 432 CG LYS A 31 1.035 2.731 6.257 1.00 0.00 C ATOM 433 CD LYS A 31 0.368 3.775 7.137 1.00 0.00 C ATOM 434 CE LYS A 31 0.320 5.133 6.453 1.00 0.00 C ATOM 435 NZ LYS A 31 -0.714 5.179 5.383 1.00 0.00 N ATOM 0 H LYS A 31 1.485 -0.978 7.710 1.00 0.00 H new ATOM 0 HA LYS A 31 2.156 0.484 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.172 0.881 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.333 1.557 8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.032 3.072 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.468 2.617 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.645 3.453 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.911 3.860 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.111 5.905 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.296 5.358 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.715 6.121 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.501 4.459 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.649 4.989 5.796 1.00 0.00 H new ATOM 449 N CYS A 32 4.368 1.445 5.814 1.00 0.00 N ATOM 450 CA CYS A 32 5.706 1.965 6.070 1.00 0.00 C ATOM 451 C CYS A 32 5.652 3.441 6.451 1.00 0.00 C ATOM 452 O CYS A 32 4.673 4.132 6.170 1.00 0.00 O ATOM 453 CB CYS A 32 6.593 1.777 4.838 1.00 0.00 C ATOM 454 SG CYS A 32 8.249 2.521 4.993 1.00 0.00 S ATOM 0 H CYS A 32 4.088 1.465 4.833 1.00 0.00 H new ATOM 0 HA CYS A 32 6.132 1.408 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.703 0.710 4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.091 2.210 3.973 1.00 0.00 H new ATOM 459 N LYS A 33 6.713 3.920 7.094 1.00 0.00 N ATOM 460 CA LYS A 33 6.789 5.314 7.513 1.00 0.00 C ATOM 461 C LYS A 33 6.601 6.251 6.324 1.00 0.00 C ATOM 462 O LYS A 33 6.119 7.374 6.475 1.00 0.00 O ATOM 463 CB LYS A 33 8.135 5.593 8.187 1.00 0.00 C ATOM 464 CG LYS A 33 8.228 5.055 9.604 1.00 0.00 C ATOM 465 CD LYS A 33 9.502 5.515 10.293 1.00 0.00 C ATOM 466 CE LYS A 33 9.663 4.865 11.658 1.00 0.00 C ATOM 467 NZ LYS A 33 11.005 5.135 12.246 1.00 0.00 N ATOM 0 H LYS A 33 7.532 3.362 7.336 1.00 0.00 H new ATOM 0 HA LYS A 33 5.986 5.496 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.931 5.152 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.307 6.669 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.363 5.387 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.198 3.966 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.362 5.272 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.485 6.599 10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.890 5.237 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.516 3.789 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.075 4.675 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.742 4.758 11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.136 6.161 12.356 1.00 0.00 H new ATOM 481 N CYS A 34 6.982 5.782 5.141 1.00 0.00 N ATOM 482 CA CYS A 34 6.854 6.576 3.925 1.00 0.00 C ATOM 483 C CYS A 34 5.389 6.870 3.618 1.00 0.00 C ATOM 484 O CYS A 34 5.046 7.955 3.150 1.00 0.00 O ATOM 485 CB CYS A 34 7.498 5.847 2.744 1.00 0.00 C ATOM 486 SG CYS A 34 6.790 4.202 2.410 1.00 0.00 S ATOM 0 H CYS A 34 7.382 4.855 4.998 1.00 0.00 H new ATOM 0 HA CYS A 34 7.370 7.523 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.395 6.463 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.566 5.739 2.936 1.00 0.00 H new ATOM 491 N GLY A 35 4.527 5.893 3.886 1.00 0.00 N ATOM 492 CA GLY A 35 3.108 6.066 3.633 1.00 0.00 C ATOM 493 C GLY A 35 2.587 5.110 2.578 1.00 0.00 C ATOM 494 O GLY A 35 1.638 5.424 1.860 1.00 0.00 O ATOM 0 H GLY A 35 4.786 4.986 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.556 5.915 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.921 7.091 3.314 1.00 0.00 H new ATOM 498 N SER A 36 3.210 3.939 2.483 1.00 0.00 N ATOM 499 CA SER A 36 2.806 2.936 1.505 1.00 0.00 C ATOM 500 C SER A 36 2.343 1.657 2.197 1.00 0.00 C ATOM 501 O SER A 36 2.769 1.350 3.311 1.00 0.00 O ATOM 502 CB SER A 36 3.965 2.625 0.555 1.00 0.00 C ATOM 503 OG SER A 36 4.617 3.812 0.140 1.00 0.00 O ATOM 0 H SER A 36 3.996 3.662 3.071 1.00 0.00 H new ATOM 0 HA SER A 36 1.972 3.339 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.680 1.968 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.591 2.088 -0.317 1.00 0.00 H new ATOM 0 HG SER A 36 5.324 4.038 0.780 1.00 0.00 H new ATOM 509 N THR A 37 1.467 0.914 1.528 1.00 0.00 N ATOM 510 CA THR A 37 0.944 -0.330 2.078 1.00 0.00 C ATOM 511 C THR A 37 1.600 -1.540 1.421 1.00 0.00 C ATOM 512 O THR A 37 1.788 -1.572 0.205 1.00 0.00 O ATOM 513 CB THR A 37 -0.583 -0.427 1.896 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.200 0.809 2.273 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.156 -1.561 2.731 1.00 0.00 C ATOM 0 H THR A 37 1.105 1.152 0.605 1.00 0.00 H new ATOM 0 HA THR A 37 1.176 -0.327 3.143 1.00 0.00 H new ATOM 0 HB THR A 37 -0.790 -0.630 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.146 0.654 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.235 -1.610 2.586 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.705 -2.504 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.939 -1.383 3.784 1.00 0.00 H new ATOM 523 N PHE A 38 1.946 -2.533 2.233 1.00 0.00 N ATOM 524 CA PHE A 38 2.582 -3.745 1.730 1.00 0.00 C ATOM 525 C PHE A 38 1.959 -4.987 2.361 1.00 0.00 C ATOM 526 O PHE A 38 1.256 -4.900 3.368 1.00 0.00 O ATOM 527 CB PHE A 38 4.085 -3.714 2.015 1.00 0.00 C ATOM 528 CG PHE A 38 4.747 -2.432 1.600 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.159 -2.242 0.291 1.00 0.00 C ATOM 530 CD2 PHE A 38 4.958 -1.416 2.519 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.769 -1.062 -0.095 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.567 -0.235 2.139 1.00 0.00 C ATOM 533 CZ PHE A 38 5.974 -0.058 0.831 1.00 0.00 C ATOM 0 H PHE A 38 1.797 -2.522 3.242 1.00 0.00 H new ATOM 0 HA PHE A 38 2.425 -3.788 0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.248 -3.869 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.562 -4.545 1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.002 -3.024 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.643 -1.549 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.084 -0.926 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.725 0.549 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.452 0.864 0.533 1.00 0.00 H new ATOM 543 N CYS A 39 2.221 -6.143 1.760 1.00 0.00 N ATOM 544 CA CYS A 39 1.686 -7.404 2.260 1.00 0.00 C ATOM 545 C CYS A 39 2.710 -8.119 3.137 1.00 0.00 C ATOM 546 O CYS A 39 2.790 -9.347 3.141 1.00 0.00 O ATOM 547 CB CYS A 39 1.278 -8.307 1.094 1.00 0.00 C ATOM 548 SG CYS A 39 2.680 -9.094 0.237 1.00 0.00 S ATOM 0 H CYS A 39 2.801 -6.233 0.926 1.00 0.00 H new ATOM 0 HA CYS A 39 0.806 -7.183 2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.611 -9.084 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.710 -7.718 0.374 1.00 0.00 H new ATOM 553 N GLY A 40 3.492 -7.341 3.879 1.00 0.00 N ATOM 554 CA GLY A 40 4.499 -7.917 4.750 1.00 0.00 C ATOM 555 C GLY A 40 5.738 -8.354 3.994 1.00 0.00 C ATOM 556 O GLY A 40 6.861 -8.107 4.432 1.00 0.00 O ATOM 0 H GLY A 40 3.446 -6.322 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.779 -7.187 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.075 -8.774 5.273 1.00 0.00 H new ATOM 560 N SER A 41 5.534 -9.008 2.855 1.00 0.00 N ATOM 561 CA SER A 41 6.643 -9.487 2.038 1.00 0.00 C ATOM 562 C SER A 41 7.346 -8.325 1.343 1.00 0.00 C ATOM 563 O SER A 41 8.483 -8.485 0.900 1.00 0.00 O ATOM 564 CB SER A 41 6.143 -10.491 0.999 1.00 0.00 C ATOM 565 OG SER A 41 5.813 -11.729 1.603 1.00 0.00 O ATOM 0 H SER A 41 4.610 -9.218 2.477 1.00 0.00 H new ATOM 0 HA SER A 41 7.359 -9.982 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.268 -10.087 0.490 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.910 -10.646 0.240 1.00 0.00 H new ATOM 0 HG SER A 41 5.494 -12.353 0.918 1.00 0.00 H new ATOM 571 N HIS A 42 6.662 -7.193 1.263 1.00 0.00 N ATOM 572 CA HIS A 42 7.231 -6.019 0.622 1.00 0.00 C ATOM 573 C HIS A 42 7.118 -4.816 1.561 1.00 0.00 C ATOM 574 O HIS A 42 7.082 -3.660 1.139 1.00 0.00 O ATOM 575 CB HIS A 42 6.576 -5.772 -0.739 1.00 0.00 C ATOM 576 CG HIS A 42 6.475 -7.006 -1.604 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.307 -7.377 -2.247 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.407 -7.948 -1.926 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.537 -8.494 -2.922 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.839 -8.846 -2.721 1.00 0.00 N ATOM 0 H HIS A 42 5.720 -7.064 1.631 1.00 0.00 H new ATOM 0 HA HIS A 42 8.290 -6.185 0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.576 -5.368 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.146 -5.012 -1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.434 -7.961 -1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.820 -9.031 -3.525 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.301 -9.665 -3.117 1.00 0.00 H new ATOM 588 N ARG A 43 7.062 -5.117 2.854 1.00 0.00 N ATOM 589 CA ARG A 43 6.952 -4.082 3.875 1.00 0.00 C ATOM 590 C ARG A 43 8.304 -3.422 4.128 1.00 0.00 C ATOM 591 O ARG A 43 8.382 -2.356 4.740 1.00 0.00 O ATOM 592 CB ARG A 43 6.410 -4.675 5.177 1.00 0.00 C ATOM 593 CG ARG A 43 7.438 -5.484 5.952 1.00 0.00 C ATOM 594 CD ARG A 43 6.862 -6.013 7.256 1.00 0.00 C ATOM 595 NE ARG A 43 7.076 -5.086 8.364 1.00 0.00 N ATOM 596 CZ ARG A 43 8.174 -5.077 9.112 1.00 0.00 C ATOM 597 NH1 ARG A 43 9.152 -5.939 8.871 1.00 0.00 N ATOM 598 NH2 ARG A 43 8.296 -4.203 10.104 1.00 0.00 N ATOM 0 H ARG A 43 7.091 -6.069 3.219 1.00 0.00 H new ATOM 0 HA ARG A 43 6.258 -3.323 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.044 -3.867 5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.556 -5.312 4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.783 -6.318 5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.308 -4.862 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.794 -6.192 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.321 -6.973 7.492 1.00 0.00 H new ATOM 0 HE ARG A 43 6.343 -4.409 8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.063 -6.612 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.994 -5.929 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.546 -3.538 10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.139 -4.197 10.678 1.00 0.00 H new ATOM 612 N TYR A 44 9.367 -4.063 3.655 1.00 0.00 N ATOM 613 CA TYR A 44 10.717 -3.540 3.832 1.00 0.00 C ATOM 614 C TYR A 44 10.983 -2.383 2.875 1.00 0.00 C ATOM 615 O TYR A 44 10.434 -2.314 1.775 1.00 0.00 O ATOM 616 CB TYR A 44 11.748 -4.647 3.611 1.00 0.00 C ATOM 617 CG TYR A 44 11.489 -5.890 4.433 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.651 -6.894 3.965 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.084 -6.059 5.677 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.411 -8.030 4.713 1.00 0.00 C ATOM 621 CE2 TYR A 44 11.851 -7.193 6.432 1.00 0.00 C ATOM 622 CZ TYR A 44 11.013 -8.175 5.946 1.00 0.00 C ATOM 623 OH TYR A 44 10.778 -9.306 6.693 1.00 0.00 O ATOM 0 H TYR A 44 9.320 -4.946 3.146 1.00 0.00 H new ATOM 0 HA TYR A 44 10.805 -3.170 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.759 -4.916 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.739 -4.262 3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.179 -6.784 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.740 -5.291 6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.756 -8.801 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.322 -7.310 7.397 1.00 0.00 H new ATOM 0 HH TYR A 44 11.278 -9.252 7.534 1.00 0.00 H new ATOM 633 N PRO A 45 11.847 -1.450 3.302 1.00 0.00 N ATOM 634 CA PRO A 45 12.208 -0.278 2.498 1.00 0.00 C ATOM 635 C PRO A 45 13.054 -0.646 1.284 1.00 0.00 C ATOM 636 O PRO A 45 12.989 0.015 0.248 1.00 0.00 O ATOM 637 CB PRO A 45 13.016 0.584 3.472 1.00 0.00 C ATOM 638 CG PRO A 45 13.568 -0.380 4.464 1.00 0.00 C ATOM 639 CD PRO A 45 12.538 -1.467 4.602 1.00 0.00 C ATOM 0 HA PRO A 45 11.330 0.223 2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.812 1.122 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.387 1.332 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.521 -0.786 4.125 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.752 0.107 5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.999 -2.435 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.851 -1.268 5.425 1.00 0.00 H new ATOM 647 N GLU A 46 13.847 -1.704 1.420 1.00 0.00 N ATOM 648 CA GLU A 46 14.706 -2.159 0.333 1.00 0.00 C ATOM 649 C GLU A 46 13.887 -2.845 -0.757 1.00 0.00 C ATOM 650 O GLU A 46 14.355 -3.023 -1.882 1.00 0.00 O ATOM 651 CB GLU A 46 15.774 -3.117 0.864 1.00 0.00 C ATOM 652 CG GLU A 46 15.205 -4.297 1.633 1.00 0.00 C ATOM 653 CD GLU A 46 16.284 -5.192 2.212 1.00 0.00 C ATOM 654 OE1 GLU A 46 16.717 -4.933 3.354 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.695 -6.149 1.524 1.00 0.00 O ATOM 0 H GLU A 46 13.912 -2.262 2.271 1.00 0.00 H new ATOM 0 HA GLU A 46 15.195 -1.286 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.364 -3.490 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.455 -2.566 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.572 -3.928 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.568 -4.884 0.971 1.00 0.00 H new ATOM 662 N LYS A 47 12.662 -3.229 -0.415 1.00 0.00 N ATOM 663 CA LYS A 47 11.776 -3.896 -1.362 1.00 0.00 C ATOM 664 C LYS A 47 10.739 -2.923 -1.913 1.00 0.00 C ATOM 665 O LYS A 47 9.713 -3.366 -2.428 1.00 0.00 O ATOM 666 CB LYS A 47 11.076 -5.079 -0.690 1.00 0.00 C ATOM 667 CG LYS A 47 12.035 -6.117 -0.132 1.00 0.00 C ATOM 668 CD LYS A 47 12.669 -6.942 -1.239 1.00 0.00 C ATOM 669 CE LYS A 47 14.063 -7.412 -0.855 1.00 0.00 C ATOM 670 NZ LYS A 47 15.112 -6.446 -1.286 1.00 0.00 N ATOM 0 H LYS A 47 12.260 -3.090 0.512 1.00 0.00 H new ATOM 0 HA LYS A 47 12.380 -4.263 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.447 -4.706 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.416 -5.558 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.815 -5.620 0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.502 -6.775 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.040 -7.805 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.723 -6.348 -2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.116 -7.548 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.256 -8.384 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.667 -6.859 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.662 -5.567 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.741 -6.236 -0.485 1.00 0.00 H new ATOM 684 N HIS A 48 11.023 -1.635 -1.796 1.00 0.00 N ATOM 685 CA HIS A 48 10.108 -0.618 -2.287 1.00 0.00 C ATOM 686 C HIS A 48 10.767 0.759 -2.182 1.00 0.00 C ATOM 687 O HIS A 48 11.375 1.115 -1.173 1.00 0.00 O ATOM 688 CB HIS A 48 8.769 -0.692 -1.551 1.00 0.00 C ATOM 689 CG HIS A 48 8.763 0.009 -0.214 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.761 -0.674 0.990 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.760 1.337 0.097 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.756 0.213 1.974 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.755 1.459 1.418 1.00 0.00 N ATOM 0 H HIS A 48 11.874 -1.271 -1.368 1.00 0.00 H new ATOM 0 HA HIS A 48 9.889 -0.798 -3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.995 -0.255 -2.182 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.506 -1.739 -1.402 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.763 -1.688 1.101 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.761 2.151 -0.612 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.753 -0.011 3.031 1.00 0.00 H new ATOM 701 N GLU A 49 10.631 1.529 -3.257 1.00 0.00 N ATOM 702 CA GLU A 49 11.203 2.870 -3.312 1.00 0.00 C ATOM 703 C GLU A 49 10.864 3.658 -2.051 1.00 0.00 C ATOM 704 O GLU A 49 9.854 4.362 -1.997 1.00 0.00 O ATOM 705 CB GLU A 49 10.692 3.616 -4.546 1.00 0.00 C ATOM 706 CG GLU A 49 9.180 3.577 -4.698 1.00 0.00 C ATOM 707 CD GLU A 49 8.723 3.989 -6.084 1.00 0.00 C ATOM 708 OE1 GLU A 49 9.032 5.127 -6.496 1.00 0.00 O ATOM 709 OE2 GLU A 49 8.056 3.175 -6.756 1.00 0.00 O ATOM 0 H GLU A 49 10.131 1.248 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 49 12.287 2.773 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.017 4.655 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.150 3.185 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.823 2.569 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.727 4.237 -3.959 1.00 0.00 H new ATOM 716 N CYS A 50 11.714 3.536 -1.037 1.00 0.00 N ATOM 717 CA CYS A 50 11.506 4.235 0.225 1.00 0.00 C ATOM 718 C CYS A 50 12.399 5.469 0.317 1.00 0.00 C ATOM 719 O CYS A 50 13.577 5.371 0.662 1.00 0.00 O ATOM 720 CB CYS A 50 11.786 3.300 1.403 1.00 0.00 C ATOM 721 SG CYS A 50 10.994 3.810 2.962 1.00 0.00 S ATOM 0 H CYS A 50 12.554 2.959 -1.065 1.00 0.00 H new ATOM 0 HA CYS A 50 10.466 4.557 0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.445 2.297 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.863 3.241 1.558 1.00 0.00 H new ATOM 726 N SER A 51 11.830 6.629 0.006 1.00 0.00 N ATOM 727 CA SER A 51 12.575 7.882 0.050 1.00 0.00 C ATOM 728 C SER A 51 12.428 8.554 1.412 1.00 0.00 C ATOM 729 O SER A 51 12.365 9.780 1.508 1.00 0.00 O ATOM 730 CB SER A 51 12.093 8.826 -1.053 1.00 0.00 C ATOM 731 OG SER A 51 12.994 9.905 -1.231 1.00 0.00 O ATOM 0 H SER A 51 10.856 6.727 -0.279 1.00 0.00 H new ATOM 0 HA SER A 51 13.629 7.655 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.991 8.275 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.105 9.211 -0.800 1.00 0.00 H new ATOM 0 HG SER A 51 13.131 10.362 -0.375 1.00 0.00 H new ATOM 737 N PHE A 52 12.372 7.743 2.463 1.00 0.00 N ATOM 738 CA PHE A 52 12.231 8.258 3.820 1.00 0.00 C ATOM 739 C PHE A 52 13.590 8.366 4.505 1.00 0.00 C ATOM 740 O PHE A 52 14.212 7.356 4.836 1.00 0.00 O ATOM 741 CB PHE A 52 11.305 7.354 4.637 1.00 0.00 C ATOM 742 CG PHE A 52 10.970 7.908 5.992 1.00 0.00 C ATOM 743 CD1 PHE A 52 11.952 8.054 6.958 1.00 0.00 C ATOM 744 CD2 PHE A 52 9.672 8.281 6.300 1.00 0.00 C ATOM 745 CE1 PHE A 52 11.647 8.564 8.206 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.361 8.792 7.547 1.00 0.00 C ATOM 747 CZ PHE A 52 10.350 8.932 8.501 1.00 0.00 C ATOM 0 H PHE A 52 12.422 6.726 2.401 1.00 0.00 H new ATOM 0 HA PHE A 52 11.794 9.255 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.382 7.195 4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.777 6.379 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.968 7.766 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.895 8.172 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 52 12.423 8.674 8.949 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.346 9.081 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.109 9.329 9.476 1.00 0.00 H new ATOM 757 N ASP A 53 14.044 9.596 4.714 1.00 0.00 N ATOM 758 CA ASP A 53 15.329 9.838 5.360 1.00 0.00 C ATOM 759 C ASP A 53 15.362 9.214 6.752 1.00 0.00 C ATOM 760 O ASP A 53 15.005 9.857 7.740 1.00 0.00 O ATOM 761 CB ASP A 53 15.603 11.339 5.453 1.00 0.00 C ATOM 762 CG ASP A 53 16.381 11.861 4.261 1.00 0.00 C ATOM 763 OD1 ASP A 53 15.757 12.110 3.208 1.00 0.00 O ATOM 764 OD2 ASP A 53 17.613 12.021 4.381 1.00 0.00 O ATOM 0 H ASP A 53 13.541 10.442 4.445 1.00 0.00 H new ATOM 0 HA ASP A 53 16.106 9.373 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.656 11.874 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.160 11.548 6.366 1.00 0.00 H new ATOM 769 N PHE A 54 15.793 7.959 6.822 1.00 0.00 N ATOM 770 CA PHE A 54 15.871 7.248 8.093 1.00 0.00 C ATOM 771 C PHE A 54 17.150 7.612 8.842 1.00 0.00 C ATOM 772 O PHE A 54 17.111 7.987 10.014 1.00 0.00 O ATOM 773 CB PHE A 54 15.816 5.737 7.860 1.00 0.00 C ATOM 774 CG PHE A 54 14.544 5.277 7.208 1.00 0.00 C ATOM 775 CD1 PHE A 54 13.325 5.434 7.849 1.00 0.00 C ATOM 776 CD2 PHE A 54 14.566 4.687 5.955 1.00 0.00 C ATOM 777 CE1 PHE A 54 12.152 5.012 7.252 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.396 4.263 5.353 1.00 0.00 C ATOM 779 CZ PHE A 54 12.188 4.425 6.002 1.00 0.00 C ATOM 0 H PHE A 54 16.093 7.414 6.014 1.00 0.00 H new ATOM 0 HA PHE A 54 15.017 7.547 8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.661 5.442 7.238 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.931 5.226 8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 54 13.291 5.892 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.508 4.557 5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.209 5.141 7.762 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.427 3.805 4.375 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.273 4.093 5.533 1.00 0.00 H new ATOM 789 N LYS A 55 18.283 7.499 8.157 1.00 0.00 N ATOM 790 CA LYS A 55 19.574 7.816 8.755 1.00 0.00 C ATOM 791 C LYS A 55 19.863 9.311 8.664 1.00 0.00 C ATOM 792 O LYS A 55 19.561 9.950 7.657 1.00 0.00 O ATOM 793 CB LYS A 55 20.688 7.028 8.062 1.00 0.00 C ATOM 794 CG LYS A 55 20.879 7.402 6.602 1.00 0.00 C ATOM 795 CD LYS A 55 21.861 6.469 5.912 1.00 0.00 C ATOM 796 CE LYS A 55 22.492 7.127 4.694 1.00 0.00 C ATOM 797 NZ LYS A 55 23.503 8.152 5.078 1.00 0.00 N ATOM 0 H LYS A 55 18.333 7.190 7.186 1.00 0.00 H new ATOM 0 HA LYS A 55 19.538 7.534 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.624 7.192 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 55 20.465 5.963 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.919 7.366 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.240 8.428 6.532 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.642 6.176 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 55 21.347 5.557 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 55 22.965 6.365 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.714 7.593 4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.074 8.405 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.019 9.000 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.123 7.767 5.819 1.00 0.00 H new ATOM 811 N GLU A 56 20.450 9.861 9.723 1.00 0.00 N ATOM 812 CA GLU A 56 20.780 11.281 9.760 1.00 0.00 C ATOM 813 C GLU A 56 22.055 11.565 8.971 1.00 0.00 C ATOM 814 O GLU A 56 23.072 10.895 9.152 1.00 0.00 O ATOM 815 CB GLU A 56 20.948 11.750 11.207 1.00 0.00 C ATOM 816 CG GLU A 56 20.835 13.255 11.376 1.00 0.00 C ATOM 817 CD GLU A 56 19.587 13.823 10.727 1.00 0.00 C ATOM 818 OE1 GLU A 56 19.590 14.004 9.492 1.00 0.00 O ATOM 819 OE2 GLU A 56 18.607 14.086 11.456 1.00 0.00 O ATOM 0 H GLU A 56 20.706 9.346 10.565 1.00 0.00 H new ATOM 0 HA GLU A 56 19.959 11.830 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 20.194 11.266 11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 21.921 11.424 11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 56 20.830 13.498 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.714 13.732 10.944 1.00 0.00 H new ATOM 826 N VAL A 57 21.992 12.562 8.095 1.00 0.00 N ATOM 827 CA VAL A 57 23.141 12.936 7.278 1.00 0.00 C ATOM 828 C VAL A 57 24.428 12.907 8.094 1.00 0.00 C ATOM 829 O VAL A 57 24.727 13.843 8.835 1.00 0.00 O ATOM 830 CB VAL A 57 22.963 14.339 6.669 1.00 0.00 C ATOM 831 CG1 VAL A 57 24.189 14.728 5.857 1.00 0.00 C ATOM 832 CG2 VAL A 57 21.707 14.393 5.813 1.00 0.00 C ATOM 0 H VAL A 57 21.158 13.126 7.932 1.00 0.00 H new ATOM 0 HA VAL A 57 23.209 12.205 6.473 1.00 0.00 H new ATOM 0 HB VAL A 57 22.852 15.057 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.045 15.722 5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.067 14.732 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.335 14.009 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.597 15.392 5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.785 13.664 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.837 14.161 6.428 1.00 0.00 H new ATOM 842 N GLY A 58 25.188 11.825 7.953 1.00 0.00 N ATOM 843 CA GLY A 58 26.435 11.695 8.683 1.00 0.00 C ATOM 844 C GLY A 58 27.279 10.537 8.186 1.00 0.00 C ATOM 845 O GLY A 58 27.638 10.482 7.010 1.00 0.00 O ATOM 0 H GLY A 58 24.962 11.037 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 27.004 12.620 8.593 1.00 0.00 H new ATOM 0 HA3 GLY A 58 26.220 11.555 9.742 1.00 0.00 H new ATOM 849 N SER A 59 27.598 9.611 9.085 1.00 0.00 N ATOM 850 CA SER A 59 28.410 8.452 8.733 1.00 0.00 C ATOM 851 C SER A 59 27.984 7.880 7.384 1.00 0.00 C ATOM 852 O SER A 59 26.945 7.232 7.272 1.00 0.00 O ATOM 853 CB SER A 59 28.296 7.376 9.814 1.00 0.00 C ATOM 854 OG SER A 59 29.048 7.727 10.964 1.00 0.00 O ATOM 0 H SER A 59 27.307 9.641 10.062 1.00 0.00 H new ATOM 0 HA SER A 59 29.448 8.775 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 59 27.250 7.240 10.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 28.649 6.423 9.421 1.00 0.00 H new ATOM 0 HG SER A 59 28.958 7.024 11.641 1.00 0.00 H new ATOM 860 N GLY A 60 28.797 8.126 6.361 1.00 0.00 N ATOM 861 CA GLY A 60 28.489 7.630 5.032 1.00 0.00 C ATOM 862 C GLY A 60 28.875 6.175 4.853 1.00 0.00 C ATOM 863 O GLY A 60 29.090 5.444 5.820 1.00 0.00 O ATOM 0 H GLY A 60 29.663 8.660 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 60 27.422 7.746 4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 60 29.012 8.235 4.291 1.00 0.00 H new ATOM 867 N PRO A 61 28.967 5.734 3.590 1.00 0.00 N ATOM 868 CA PRO A 61 29.329 4.353 3.257 1.00 0.00 C ATOM 869 C PRO A 61 30.788 4.044 3.574 1.00 0.00 C ATOM 870 O PRO A 61 31.682 4.830 3.260 1.00 0.00 O ATOM 871 CB PRO A 61 29.082 4.275 1.748 1.00 0.00 C ATOM 872 CG PRO A 61 29.222 5.678 1.269 1.00 0.00 C ATOM 873 CD PRO A 61 28.725 6.550 2.388 1.00 0.00 C ATOM 0 HA PRO A 61 28.753 3.630 3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 61 29.803 3.617 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 61 28.090 3.879 1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 61 30.260 5.906 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 61 28.641 5.840 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 61 29.264 7.496 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 61 27.668 6.790 2.271 1.00 0.00 H new ATOM 881 N SER A 62 31.022 2.894 4.199 1.00 0.00 N ATOM 882 CA SER A 62 32.373 2.483 4.562 1.00 0.00 C ATOM 883 C SER A 62 32.464 0.965 4.688 1.00 0.00 C ATOM 884 O SER A 62 31.449 0.281 4.825 1.00 0.00 O ATOM 885 CB SER A 62 32.794 3.141 5.877 1.00 0.00 C ATOM 886 OG SER A 62 33.071 4.519 5.692 1.00 0.00 O ATOM 0 H SER A 62 30.294 2.231 4.464 1.00 0.00 H new ATOM 0 HA SER A 62 33.049 2.806 3.770 1.00 0.00 H new ATOM 0 HB2 SER A 62 32.002 3.022 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 62 33.677 2.639 6.272 1.00 0.00 H new ATOM 0 HG SER A 62 32.767 4.797 4.803 1.00 0.00 H new ATOM 892 N SER A 63 33.686 0.445 4.641 1.00 0.00 N ATOM 893 CA SER A 63 33.910 -0.992 4.747 1.00 0.00 C ATOM 894 C SER A 63 34.651 -1.333 6.036 1.00 0.00 C ATOM 895 O SER A 63 35.370 -0.503 6.590 1.00 0.00 O ATOM 896 CB SER A 63 34.704 -1.495 3.540 1.00 0.00 C ATOM 897 OG SER A 63 33.983 -1.298 2.336 1.00 0.00 O ATOM 0 H SER A 63 34.536 0.997 4.530 1.00 0.00 H new ATOM 0 HA SER A 63 32.939 -1.486 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 63 35.659 -0.972 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 63 34.928 -2.555 3.664 1.00 0.00 H new ATOM 0 HG SER A 63 34.513 -1.626 1.580 1.00 0.00 H new ATOM 903 N GLY A 64 34.470 -2.563 6.508 1.00 0.00 N ATOM 904 CA GLY A 64 35.127 -2.993 7.728 1.00 0.00 C ATOM 905 C GLY A 64 34.189 -3.005 8.919 1.00 0.00 C ATOM 906 O GLY A 64 34.521 -3.609 9.937 1.00 0.00 O ATOM 0 H GLY A 64 33.880 -3.269 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 64 35.538 -3.992 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 64 35.967 -2.330 7.938 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.453 -7.844 -1.566 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.788 3.012 2.758 1.00 0.00 ZN