USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 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+ 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.81) USER MOD Single : A 16 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.2) USER MOD Single : A 20 SER OG : rot -140:sc= -0.171 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 0.593 (180deg=-0.059) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -158:sc= -0.085 (180deg=-0.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.0715 (180deg=-0.404) USER MOD Single : A 36 SER OG : rot 95:sc= 1.4 USER MOD Single : A 37 THR OG1 : rot -159:sc= 0.00927 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+ 137:sc= -0.336 (180deg=-1.56!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.0277 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 10:sc= 0.253! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.674 25.328 -15.637 1.00 0.00 N ATOM 2 CA GLY A 1 -23.978 24.067 -15.458 1.00 0.00 C ATOM 3 C GLY A 1 -22.637 24.237 -14.774 1.00 0.00 C ATOM 4 O GLY A 1 -21.623 24.475 -15.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.585 25.158 -16.109 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.841 25.767 -14.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.095 25.964 -16.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.600 23.393 -14.869 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.830 23.596 -16.430 1.00 0.00 H new ATOM 8 N SER A 2 -22.629 24.117 -13.450 1.00 0.00 N ATOM 9 CA SER A 2 -21.403 24.264 -12.676 1.00 0.00 C ATOM 10 C SER A 2 -21.053 22.964 -11.959 1.00 0.00 C ATOM 11 O SER A 2 -21.702 22.586 -10.983 1.00 0.00 O ATOM 12 CB SER A 2 -21.550 25.397 -11.658 1.00 0.00 C ATOM 13 OG SER A 2 -21.509 26.663 -12.295 1.00 0.00 O ATOM 0 H SER A 2 -23.459 23.918 -12.891 1.00 0.00 H new ATOM 0 HA SER A 2 -20.595 24.507 -13.366 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.492 25.287 -11.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.751 25.332 -10.919 1.00 0.00 H new ATOM 0 HG SER A 2 -21.607 27.370 -11.624 1.00 0.00 H new ATOM 19 N SER A 3 -20.023 22.283 -12.450 1.00 0.00 N ATOM 20 CA SER A 3 -19.588 21.023 -11.860 1.00 0.00 C ATOM 21 C SER A 3 -18.918 21.258 -10.509 1.00 0.00 C ATOM 22 O SER A 3 -19.348 20.720 -9.489 1.00 0.00 O ATOM 23 CB SER A 3 -18.622 20.300 -12.802 1.00 0.00 C ATOM 24 OG SER A 3 -19.174 20.175 -14.101 1.00 0.00 O ATOM 0 H SER A 3 -19.474 22.583 -13.256 1.00 0.00 H new ATOM 0 HA SER A 3 -20.469 20.400 -11.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.681 20.848 -12.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.393 19.311 -12.404 1.00 0.00 H new ATOM 0 HG SER A 3 -18.537 19.711 -14.684 1.00 0.00 H new ATOM 30 N GLY A 4 -17.862 22.065 -10.512 1.00 0.00 N ATOM 31 CA GLY A 4 -17.149 22.358 -9.282 1.00 0.00 C ATOM 32 C GLY A 4 -16.082 21.328 -8.971 1.00 0.00 C ATOM 33 O GLY A 4 -16.255 20.142 -9.251 1.00 0.00 O ATOM 0 H GLY A 4 -17.487 22.521 -11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.688 23.343 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.859 22.402 -8.456 1.00 0.00 H new ATOM 37 N SER A 5 -14.975 21.781 -8.392 1.00 0.00 N ATOM 38 CA SER A 5 -13.872 20.891 -8.048 1.00 0.00 C ATOM 39 C SER A 5 -13.154 21.375 -6.793 1.00 0.00 C ATOM 40 O SER A 5 -12.512 22.426 -6.798 1.00 0.00 O ATOM 41 CB SER A 5 -12.883 20.797 -9.211 1.00 0.00 C ATOM 42 OG SER A 5 -12.112 19.610 -9.131 1.00 0.00 O ATOM 0 H SER A 5 -14.818 22.760 -8.151 1.00 0.00 H new ATOM 0 HA SER A 5 -14.285 19.902 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.425 20.819 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.223 21.664 -9.202 1.00 0.00 H new ATOM 0 HG SER A 5 -11.489 19.573 -9.887 1.00 0.00 H new ATOM 48 N SER A 6 -13.268 20.602 -5.718 1.00 0.00 N ATOM 49 CA SER A 6 -12.633 20.953 -4.453 1.00 0.00 C ATOM 50 C SER A 6 -12.423 19.714 -3.588 1.00 0.00 C ATOM 51 O SER A 6 -13.379 19.040 -3.206 1.00 0.00 O ATOM 52 CB SER A 6 -13.483 21.977 -3.698 1.00 0.00 C ATOM 53 OG SER A 6 -12.817 22.435 -2.535 1.00 0.00 O ATOM 0 H SER A 6 -13.794 19.728 -5.698 1.00 0.00 H new ATOM 0 HA SER A 6 -11.659 21.391 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.705 22.822 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.437 21.529 -3.421 1.00 0.00 H new ATOM 0 HG SER A 6 -13.380 23.089 -2.072 1.00 0.00 H new ATOM 59 N GLY A 7 -11.163 19.420 -3.282 1.00 0.00 N ATOM 60 CA GLY A 7 -10.849 18.262 -2.465 1.00 0.00 C ATOM 61 C GLY A 7 -9.447 17.741 -2.713 1.00 0.00 C ATOM 62 O GLY A 7 -9.243 16.772 -3.445 1.00 0.00 O ATOM 0 H GLY A 7 -10.354 19.963 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.955 18.524 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.569 17.470 -2.670 1.00 0.00 H new ATOM 66 N PRO A 8 -8.451 18.392 -2.096 1.00 0.00 N ATOM 67 CA PRO A 8 -7.044 18.007 -2.239 1.00 0.00 C ATOM 68 C PRO A 8 -6.734 16.681 -1.553 1.00 0.00 C ATOM 69 O PRO A 8 -5.597 16.209 -1.579 1.00 0.00 O ATOM 70 CB PRO A 8 -6.291 19.151 -1.556 1.00 0.00 C ATOM 71 CG PRO A 8 -7.265 19.716 -0.580 1.00 0.00 C ATOM 72 CD PRO A 8 -8.621 19.556 -1.209 1.00 0.00 C ATOM 0 HA PRO A 8 -6.766 17.859 -3.283 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.393 18.790 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.973 19.903 -2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.212 19.190 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.050 20.765 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.393 19.381 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.913 20.446 -1.766 1.00 0.00 H new ATOM 80 N SER A 9 -7.751 16.084 -0.941 1.00 0.00 N ATOM 81 CA SER A 9 -7.586 14.813 -0.245 1.00 0.00 C ATOM 82 C SER A 9 -8.168 13.665 -1.064 1.00 0.00 C ATOM 83 O SER A 9 -9.167 13.832 -1.764 1.00 0.00 O ATOM 84 CB SER A 9 -8.259 14.868 1.128 1.00 0.00 C ATOM 85 OG SER A 9 -8.034 13.672 1.854 1.00 0.00 O ATOM 0 H SER A 9 -8.699 16.460 -0.913 1.00 0.00 H new ATOM 0 HA SER A 9 -6.519 14.636 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.873 15.717 1.692 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.330 15.027 1.005 1.00 0.00 H new ATOM 0 HG SER A 9 -8.473 13.733 2.728 1.00 0.00 H new ATOM 91 N ARG A 10 -7.536 12.500 -0.970 1.00 0.00 N ATOM 92 CA ARG A 10 -7.990 11.324 -1.703 1.00 0.00 C ATOM 93 C ARG A 10 -9.353 10.861 -1.197 1.00 0.00 C ATOM 94 O ARG A 10 -9.718 11.073 -0.040 1.00 0.00 O ATOM 95 CB ARG A 10 -6.972 10.190 -1.570 1.00 0.00 C ATOM 96 CG ARG A 10 -6.942 9.557 -0.188 1.00 0.00 C ATOM 97 CD ARG A 10 -5.651 8.789 0.045 1.00 0.00 C ATOM 98 NE ARG A 10 -5.342 8.655 1.466 1.00 0.00 N ATOM 99 CZ ARG A 10 -4.107 8.546 1.943 1.00 0.00 C ATOM 100 NH1 ARG A 10 -3.070 8.556 1.116 1.00 0.00 N ATOM 101 NH2 ARG A 10 -3.907 8.428 3.249 1.00 0.00 N ATOM 0 H ARG A 10 -6.709 12.345 -0.394 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.085 11.596 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.199 9.421 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.980 10.574 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.047 10.332 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.792 8.884 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.733 7.799 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.830 9.300 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.117 8.645 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.220 8.648 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.123 8.472 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.702 8.421 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.958 8.344 3.614 1.00 0.00 H new ATOM 115 N PRO A 11 -10.124 10.213 -2.082 1.00 0.00 N ATOM 116 CA PRO A 11 -11.458 9.706 -1.748 1.00 0.00 C ATOM 117 C PRO A 11 -11.406 8.526 -0.784 1.00 0.00 C ATOM 118 O PRO A 11 -10.360 8.231 -0.205 1.00 0.00 O ATOM 119 CB PRO A 11 -12.020 9.265 -3.102 1.00 0.00 C ATOM 120 CG PRO A 11 -10.818 8.965 -3.931 1.00 0.00 C ATOM 121 CD PRO A 11 -9.753 9.925 -3.478 1.00 0.00 C ATOM 0 HA PRO A 11 -12.064 10.458 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.659 8.388 -2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.627 10.050 -3.554 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.497 7.932 -3.794 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.034 9.093 -4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.759 9.484 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.743 10.830 -4.086 1.00 0.00 H new ATOM 129 N VAL A 12 -12.540 7.854 -0.615 1.00 0.00 N ATOM 130 CA VAL A 12 -12.622 6.705 0.278 1.00 0.00 C ATOM 131 C VAL A 12 -12.147 5.433 -0.417 1.00 0.00 C ATOM 132 O VAL A 12 -12.840 4.416 -0.412 1.00 0.00 O ATOM 133 CB VAL A 12 -14.060 6.492 0.788 1.00 0.00 C ATOM 134 CG1 VAL A 12 -14.525 7.695 1.594 1.00 0.00 C ATOM 135 CG2 VAL A 12 -15.003 6.223 -0.376 1.00 0.00 C ATOM 0 H VAL A 12 -13.415 8.086 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.971 6.917 1.126 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.069 5.621 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.543 7.526 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.864 7.837 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.502 8.585 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.015 6.075 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.991 7.073 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.679 5.328 -0.907 1.00 0.00 H new ATOM 145 N ARG A 13 -10.961 5.499 -1.012 1.00 0.00 N ATOM 146 CA ARG A 13 -10.393 4.353 -1.712 1.00 0.00 C ATOM 147 C ARG A 13 -9.735 3.388 -0.730 1.00 0.00 C ATOM 148 O ARG A 13 -9.070 3.792 0.224 1.00 0.00 O ATOM 149 CB ARG A 13 -9.370 4.818 -2.750 1.00 0.00 C ATOM 150 CG ARG A 13 -9.993 5.256 -4.065 1.00 0.00 C ATOM 151 CD ARG A 13 -10.571 4.074 -4.828 1.00 0.00 C ATOM 152 NE ARG A 13 -10.503 4.270 -6.274 1.00 0.00 N ATOM 153 CZ ARG A 13 -11.337 3.695 -7.134 1.00 0.00 C ATOM 154 NH1 ARG A 13 -12.297 2.893 -6.695 1.00 0.00 N ATOM 155 NH2 ARG A 13 -11.212 3.923 -8.435 1.00 0.00 N ATOM 0 H ARG A 13 -10.375 6.334 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.204 3.831 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.796 5.647 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.667 4.008 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.780 5.985 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.241 5.753 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.028 3.168 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.609 3.923 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.775 4.882 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.397 2.716 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.936 2.453 -7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.475 4.540 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.853 3.481 -9.094 1.00 0.00 H new ATOM 169 N PRO A 14 -9.924 2.081 -0.967 1.00 0.00 N ATOM 170 CA PRO A 14 -9.357 1.032 -0.115 1.00 0.00 C ATOM 171 C PRO A 14 -7.841 0.936 -0.245 1.00 0.00 C ATOM 172 O PRO A 14 -7.321 0.555 -1.293 1.00 0.00 O ATOM 173 CB PRO A 14 -10.020 -0.245 -0.637 1.00 0.00 C ATOM 174 CG PRO A 14 -10.374 0.062 -2.051 1.00 0.00 C ATOM 175 CD PRO A 14 -10.706 1.528 -2.086 1.00 0.00 C ATOM 0 HA PRO A 14 -9.540 1.222 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.343 -1.097 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.905 -0.498 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.544 -0.166 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.222 -0.538 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.424 1.981 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.774 1.702 -1.955 1.00 0.00 H new ATOM 183 N ASN A 15 -7.137 1.283 0.827 1.00 0.00 N ATOM 184 CA ASN A 15 -5.679 1.236 0.833 1.00 0.00 C ATOM 185 C ASN A 15 -5.181 -0.151 1.229 1.00 0.00 C ATOM 186 O ASN A 15 -4.055 -0.306 1.700 1.00 0.00 O ATOM 187 CB ASN A 15 -5.118 2.286 1.793 1.00 0.00 C ATOM 188 CG ASN A 15 -6.074 2.603 2.927 1.00 0.00 C ATOM 189 OD1 ASN A 15 -6.518 1.709 3.648 1.00 0.00 O ATOM 190 ND2 ASN A 15 -6.397 3.881 3.088 1.00 0.00 N ATOM 0 H ASN A 15 -7.552 1.600 1.703 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.329 1.453 -0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.174 1.929 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.899 3.199 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.037 4.155 3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.005 4.588 2.467 1.00 0.00 H new ATOM 197 N ASN A 16 -6.029 -1.156 1.034 1.00 0.00 N ATOM 198 CA ASN A 16 -5.675 -2.530 1.371 1.00 0.00 C ATOM 199 C ASN A 16 -5.053 -3.241 0.173 1.00 0.00 C ATOM 200 O ASN A 16 -5.725 -3.994 -0.532 1.00 0.00 O ATOM 201 CB ASN A 16 -6.911 -3.295 1.848 1.00 0.00 C ATOM 202 CG ASN A 16 -8.159 -2.916 1.074 1.00 0.00 C ATOM 203 OD1 ASN A 16 -8.962 -2.101 1.529 1.00 0.00 O ATOM 204 ND2 ASN A 16 -8.328 -3.508 -0.103 1.00 0.00 N ATOM 0 H ASN A 16 -6.965 -1.045 0.645 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.940 -2.503 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.734 -4.366 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.070 -3.098 2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.149 -3.293 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.637 -4.177 -0.441 1.00 0.00 H new ATOM 211 N ARG A 17 -3.766 -2.997 -0.051 1.00 0.00 N ATOM 212 CA ARG A 17 -3.054 -3.613 -1.163 1.00 0.00 C ATOM 213 C ARG A 17 -1.547 -3.432 -1.012 1.00 0.00 C ATOM 214 O ARG A 17 -1.087 -2.524 -0.318 1.00 0.00 O ATOM 215 CB ARG A 17 -3.520 -3.012 -2.491 1.00 0.00 C ATOM 216 CG ARG A 17 -4.695 -3.748 -3.113 1.00 0.00 C ATOM 217 CD ARG A 17 -4.915 -3.325 -4.557 1.00 0.00 C ATOM 218 NE ARG A 17 -6.300 -3.517 -4.979 1.00 0.00 N ATOM 219 CZ ARG A 17 -6.880 -2.808 -5.941 1.00 0.00 C ATOM 220 NH1 ARG A 17 -6.199 -1.866 -6.578 1.00 0.00 N ATOM 221 NH2 ARG A 17 -8.145 -3.042 -6.268 1.00 0.00 N ATOM 0 H ARG A 17 -3.195 -2.377 0.523 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.277 -4.680 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.798 -1.970 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.687 -3.015 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.517 -4.822 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.597 -3.551 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.643 -2.276 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.255 -3.899 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.852 -4.235 -4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.227 -1.684 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.647 -1.323 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.672 -3.766 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.590 -2.497 -7.007 1.00 0.00 H new ATOM 235 N CYS A 18 -0.782 -4.300 -1.665 1.00 0.00 N ATOM 236 CA CYS A 18 0.673 -4.237 -1.602 1.00 0.00 C ATOM 237 C CYS A 18 1.223 -3.294 -2.668 1.00 0.00 C ATOM 238 O CYS A 18 0.811 -3.342 -3.828 1.00 0.00 O ATOM 239 CB CYS A 18 1.273 -5.633 -1.783 1.00 0.00 C ATOM 240 SG CYS A 18 3.069 -5.714 -1.492 1.00 0.00 S ATOM 0 H CYS A 18 -1.146 -5.056 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 18 0.953 -3.852 -0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.774 -6.322 -1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.064 -5.978 -2.796 1.00 0.00 H new ATOM 245 N PHE A 19 2.155 -2.436 -2.267 1.00 0.00 N ATOM 246 CA PHE A 19 2.761 -1.480 -3.187 1.00 0.00 C ATOM 247 C PHE A 19 3.896 -2.128 -3.974 1.00 0.00 C ATOM 248 O PHE A 19 4.781 -1.443 -4.486 1.00 0.00 O ATOM 249 CB PHE A 19 3.287 -0.265 -2.419 1.00 0.00 C ATOM 250 CG PHE A 19 3.689 0.877 -3.308 1.00 0.00 C ATOM 251 CD1 PHE A 19 2.732 1.705 -3.871 1.00 0.00 C ATOM 252 CD2 PHE A 19 5.025 1.122 -3.581 1.00 0.00 C ATOM 253 CE1 PHE A 19 3.099 2.756 -4.690 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.399 2.172 -4.398 1.00 0.00 C ATOM 255 CZ PHE A 19 4.435 2.990 -4.953 1.00 0.00 C ATOM 0 H PHE A 19 2.507 -2.383 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 19 1.995 -1.154 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.519 0.077 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.145 -0.568 -1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.686 1.527 -3.668 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.783 0.485 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.343 3.393 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.444 2.353 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.725 3.811 -5.592 1.00 0.00 H new ATOM 265 N SER A 20 3.863 -3.454 -4.067 1.00 0.00 N ATOM 266 CA SER A 20 4.890 -4.196 -4.788 1.00 0.00 C ATOM 267 C SER A 20 4.263 -5.255 -5.690 1.00 0.00 C ATOM 268 O SER A 20 4.712 -5.474 -6.815 1.00 0.00 O ATOM 269 CB SER A 20 5.858 -4.856 -3.804 1.00 0.00 C ATOM 270 OG SER A 20 6.929 -3.986 -3.481 1.00 0.00 O ATOM 0 H SER A 20 3.136 -4.036 -3.652 1.00 0.00 H new ATOM 0 HA SER A 20 5.441 -3.492 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.324 -5.134 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.251 -5.776 -4.237 1.00 0.00 H new ATOM 0 HG SER A 20 7.763 -4.498 -3.434 1.00 0.00 H new ATOM 276 N CYS A 21 3.221 -5.909 -5.187 1.00 0.00 N ATOM 277 CA CYS A 21 2.531 -6.946 -5.945 1.00 0.00 C ATOM 278 C CYS A 21 1.056 -6.599 -6.122 1.00 0.00 C ATOM 279 O CYS A 21 0.323 -7.298 -6.820 1.00 0.00 O ATOM 280 CB CYS A 21 2.667 -8.298 -5.241 1.00 0.00 C ATOM 281 SG CYS A 21 2.297 -8.248 -3.458 1.00 0.00 S ATOM 0 H CYS A 21 2.836 -5.739 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 21 2.993 -7.009 -6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.999 -9.014 -5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.683 -8.668 -5.380 1.00 0.00 H new ATOM 286 N ASN A 22 0.628 -5.514 -5.485 1.00 0.00 N ATOM 287 CA ASN A 22 -0.760 -5.074 -5.572 1.00 0.00 C ATOM 288 C ASN A 22 -1.698 -6.107 -4.955 1.00 0.00 C ATOM 289 O ASN A 22 -2.876 -6.179 -5.305 1.00 0.00 O ATOM 290 CB ASN A 22 -1.147 -4.823 -7.031 1.00 0.00 C ATOM 291 CG ASN A 22 -0.896 -3.389 -7.457 1.00 0.00 C ATOM 292 OD1 ASN A 22 0.240 -2.915 -7.442 1.00 0.00 O ATOM 293 ND2 ASN A 22 -1.959 -2.692 -7.840 1.00 0.00 N ATOM 0 H ASN A 22 1.222 -4.923 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.856 -4.143 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.580 -5.495 -7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.201 -5.061 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.853 -1.722 -8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.882 -3.126 -7.836 1.00 0.00 H new ATOM 300 N LYS A 23 -1.167 -6.905 -4.035 1.00 0.00 N ATOM 301 CA LYS A 23 -1.955 -7.934 -3.367 1.00 0.00 C ATOM 302 C LYS A 23 -2.735 -7.347 -2.195 1.00 0.00 C ATOM 303 O LYS A 23 -2.152 -6.948 -1.186 1.00 0.00 O ATOM 304 CB LYS A 23 -1.047 -9.063 -2.875 1.00 0.00 C ATOM 305 CG LYS A 23 -1.651 -9.882 -1.747 1.00 0.00 C ATOM 306 CD LYS A 23 -0.833 -11.131 -1.466 1.00 0.00 C ATOM 307 CE LYS A 23 0.240 -10.871 -0.420 1.00 0.00 C ATOM 308 NZ LYS A 23 1.394 -11.801 -0.566 1.00 0.00 N ATOM 0 H LYS A 23 -0.193 -6.859 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.666 -8.337 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.818 -9.724 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.102 -8.637 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.709 -9.273 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.671 -10.165 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.492 -11.929 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.367 -11.477 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.590 -9.842 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.190 -10.979 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.278 -11.290 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.292 -12.588 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.418 -12.175 -1.536 1.00 0.00 H new ATOM 322 N LYS A 24 -4.055 -7.298 -2.334 1.00 0.00 N ATOM 323 CA LYS A 24 -4.916 -6.762 -1.286 1.00 0.00 C ATOM 324 C LYS A 24 -4.430 -7.198 0.093 1.00 0.00 C ATOM 325 O LYS A 24 -4.432 -8.385 0.417 1.00 0.00 O ATOM 326 CB LYS A 24 -6.360 -7.222 -1.498 1.00 0.00 C ATOM 327 CG LYS A 24 -6.561 -8.712 -1.281 1.00 0.00 C ATOM 328 CD LYS A 24 -7.893 -9.182 -1.842 1.00 0.00 C ATOM 329 CE LYS A 24 -8.292 -10.534 -1.271 1.00 0.00 C ATOM 330 NZ LYS A 24 -7.754 -11.660 -2.083 1.00 0.00 N ATOM 0 H LYS A 24 -4.553 -7.623 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.876 -5.674 -1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.011 -6.673 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.669 -6.966 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.750 -9.263 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.515 -8.935 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.665 -8.447 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.828 -9.249 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.927 -10.618 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.379 -10.604 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.048 -12.564 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.122 -11.595 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.715 -11.609 -2.103 1.00 0.00 H new ATOM 344 N VAL A 25 -4.014 -6.229 0.902 1.00 0.00 N ATOM 345 CA VAL A 25 -3.528 -6.512 2.247 1.00 0.00 C ATOM 346 C VAL A 25 -4.577 -6.161 3.297 1.00 0.00 C ATOM 347 O VAL A 25 -4.250 -5.900 4.453 1.00 0.00 O ATOM 348 CB VAL A 25 -2.233 -5.734 2.552 1.00 0.00 C ATOM 349 CG1 VAL A 25 -1.118 -6.164 1.611 1.00 0.00 C ATOM 350 CG2 VAL A 25 -2.477 -4.236 2.453 1.00 0.00 C ATOM 0 H VAL A 25 -4.004 -5.241 0.649 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.320 -7.581 2.289 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.923 -5.962 3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.212 -5.604 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.928 -7.230 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.415 -5.966 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.552 -3.702 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.811 -3.987 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.243 -3.944 3.171 1.00 0.00 H new ATOM 360 N GLY A 26 -5.841 -6.158 2.884 1.00 0.00 N ATOM 361 CA GLY A 26 -6.919 -5.838 3.800 1.00 0.00 C ATOM 362 C GLY A 26 -6.522 -4.790 4.821 1.00 0.00 C ATOM 363 O GLY A 26 -5.768 -3.867 4.512 1.00 0.00 O ATOM 0 H GLY A 26 -6.137 -6.372 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.779 -5.481 3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.233 -6.744 4.318 1.00 0.00 H new ATOM 367 N VAL A 27 -7.031 -4.931 6.040 1.00 0.00 N ATOM 368 CA VAL A 27 -6.725 -3.988 7.110 1.00 0.00 C ATOM 369 C VAL A 27 -5.651 -4.542 8.040 1.00 0.00 C ATOM 370 O VAL A 27 -5.609 -4.208 9.224 1.00 0.00 O ATOM 371 CB VAL A 27 -7.980 -3.651 7.937 1.00 0.00 C ATOM 372 CG1 VAL A 27 -9.070 -3.078 7.044 1.00 0.00 C ATOM 373 CG2 VAL A 27 -8.479 -4.884 8.675 1.00 0.00 C ATOM 0 H VAL A 27 -7.657 -5.689 6.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.357 -3.079 6.635 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.714 -2.896 8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.949 -2.846 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.707 -2.168 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.336 -3.809 6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.366 -4.627 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.729 -5.663 7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.700 -5.247 9.346 1.00 0.00 H new ATOM 383 N MET A 28 -4.785 -5.390 7.496 1.00 0.00 N ATOM 384 CA MET A 28 -3.709 -5.989 8.277 1.00 0.00 C ATOM 385 C MET A 28 -2.386 -5.923 7.520 1.00 0.00 C ATOM 386 O MET A 28 -1.505 -6.759 7.716 1.00 0.00 O ATOM 387 CB MET A 28 -4.044 -7.443 8.615 1.00 0.00 C ATOM 388 CG MET A 28 -5.256 -7.593 9.519 1.00 0.00 C ATOM 389 SD MET A 28 -4.854 -7.368 11.263 1.00 0.00 S ATOM 390 CE MET A 28 -3.916 -8.858 11.589 1.00 0.00 C ATOM 0 H MET A 28 -4.807 -5.678 6.518 1.00 0.00 H new ATOM 0 HA MET A 28 -3.607 -5.422 9.203 1.00 0.00 H new ATOM 0 HB2 MET A 28 -4.221 -7.991 7.690 1.00 0.00 H new ATOM 0 HB3 MET A 28 -3.182 -7.903 9.098 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.014 -6.865 9.228 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.692 -8.582 9.375 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.930 -9.070 12.658 1.00 0.00 H new ATOM 0 HE2 MET A 28 -4.360 -9.693 11.048 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.886 -8.719 11.260 1.00 0.00 H new ATOM 400 N GLY A 29 -2.254 -4.923 6.654 1.00 0.00 N ATOM 401 CA GLY A 29 -1.036 -4.766 5.881 1.00 0.00 C ATOM 402 C GLY A 29 0.050 -4.042 6.651 1.00 0.00 C ATOM 403 O GLY A 29 -0.151 -3.646 7.799 1.00 0.00 O ATOM 0 H GLY A 29 -2.969 -4.218 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.671 -5.748 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.258 -4.215 4.967 1.00 0.00 H new ATOM 407 N PHE A 30 1.206 -3.868 6.019 1.00 0.00 N ATOM 408 CA PHE A 30 2.330 -3.188 6.653 1.00 0.00 C ATOM 409 C PHE A 30 2.595 -1.840 5.988 1.00 0.00 C ATOM 410 O PHE A 30 3.161 -1.773 4.897 1.00 0.00 O ATOM 411 CB PHE A 30 3.586 -4.060 6.583 1.00 0.00 C ATOM 412 CG PHE A 30 3.642 -5.116 7.649 1.00 0.00 C ATOM 413 CD1 PHE A 30 3.099 -6.371 7.429 1.00 0.00 C ATOM 414 CD2 PHE A 30 4.238 -4.854 8.872 1.00 0.00 C ATOM 415 CE1 PHE A 30 3.149 -7.346 8.407 1.00 0.00 C ATOM 416 CE2 PHE A 30 4.291 -5.824 9.855 1.00 0.00 C ATOM 417 CZ PHE A 30 3.746 -7.072 9.622 1.00 0.00 C ATOM 0 H PHE A 30 1.389 -4.188 5.068 1.00 0.00 H new ATOM 0 HA PHE A 30 2.075 -3.014 7.698 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.632 -4.539 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.466 -3.423 6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.631 -6.590 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.666 -3.880 9.059 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.722 -8.321 8.222 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.758 -5.607 10.804 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.787 -7.832 10.388 1.00 0.00 H new ATOM 427 N LYS A 31 2.181 -0.768 6.654 1.00 0.00 N ATOM 428 CA LYS A 31 2.373 0.580 6.131 1.00 0.00 C ATOM 429 C LYS A 31 3.723 1.143 6.563 1.00 0.00 C ATOM 430 O LYS A 31 4.007 1.259 7.756 1.00 0.00 O ATOM 431 CB LYS A 31 1.248 1.500 6.609 1.00 0.00 C ATOM 432 CG LYS A 31 1.185 2.822 5.864 1.00 0.00 C ATOM 433 CD LYS A 31 0.431 3.875 6.658 1.00 0.00 C ATOM 434 CE LYS A 31 -0.162 4.940 5.749 1.00 0.00 C ATOM 435 NZ LYS A 31 -0.893 5.983 6.521 1.00 0.00 N ATOM 0 H LYS A 31 1.710 -0.806 7.558 1.00 0.00 H new ATOM 0 HA LYS A 31 2.352 0.527 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.295 0.983 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.379 1.698 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.196 3.174 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.698 2.674 4.900 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.365 3.399 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.105 4.342 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.634 5.408 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.842 4.472 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.282 6.691 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.669 5.541 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.239 6.447 7.183 1.00 0.00 H new ATOM 449 N CYS A 32 4.552 1.495 5.586 1.00 0.00 N ATOM 450 CA CYS A 32 5.872 2.048 5.864 1.00 0.00 C ATOM 451 C CYS A 32 5.773 3.516 6.268 1.00 0.00 C ATOM 452 O CYS A 32 4.760 4.172 6.024 1.00 0.00 O ATOM 453 CB CYS A 32 6.777 1.905 4.639 1.00 0.00 C ATOM 454 SG CYS A 32 8.426 2.652 4.841 1.00 0.00 S ATOM 0 H CYS A 32 4.333 1.407 4.594 1.00 0.00 H new ATOM 0 HA CYS A 32 6.304 1.489 6.694 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.895 0.846 4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.285 2.364 3.781 1.00 0.00 H new ATOM 459 N LYS A 33 6.832 4.027 6.887 1.00 0.00 N ATOM 460 CA LYS A 33 6.867 5.417 7.324 1.00 0.00 C ATOM 461 C LYS A 33 6.692 6.364 6.140 1.00 0.00 C ATOM 462 O LYS A 33 6.233 7.495 6.300 1.00 0.00 O ATOM 463 CB LYS A 33 8.186 5.716 8.039 1.00 0.00 C ATOM 464 CG LYS A 33 8.172 5.360 9.515 1.00 0.00 C ATOM 465 CD LYS A 33 7.846 6.568 10.377 1.00 0.00 C ATOM 466 CE LYS A 33 6.346 6.718 10.582 1.00 0.00 C ATOM 467 NZ LYS A 33 5.788 5.619 11.418 1.00 0.00 N ATOM 0 H LYS A 33 7.678 3.498 7.097 1.00 0.00 H new ATOM 0 HA LYS A 33 6.041 5.574 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.988 5.165 7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.416 6.776 7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.437 4.575 9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.144 4.958 9.803 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.338 6.470 11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.242 7.469 9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.138 7.677 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.846 6.727 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.899 5.933 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.605 4.787 10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.470 5.368 12.161 1.00 0.00 H new ATOM 481 N CYS A 34 7.059 5.894 4.953 1.00 0.00 N ATOM 482 CA CYS A 34 6.943 6.697 3.742 1.00 0.00 C ATOM 483 C CYS A 34 5.478 6.963 3.405 1.00 0.00 C ATOM 484 O CYS A 34 5.127 8.037 2.919 1.00 0.00 O ATOM 485 CB CYS A 34 7.628 5.993 2.569 1.00 0.00 C ATOM 486 SG CYS A 34 6.967 4.334 2.209 1.00 0.00 S ATOM 0 H CYS A 34 7.440 4.960 4.804 1.00 0.00 H new ATOM 0 HA CYS A 34 7.437 7.652 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.528 6.613 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.694 5.910 2.781 1.00 0.00 H new ATOM 491 N GLY A 35 4.627 5.975 3.667 1.00 0.00 N ATOM 492 CA GLY A 35 3.211 6.122 3.385 1.00 0.00 C ATOM 493 C GLY A 35 2.727 5.149 2.329 1.00 0.00 C ATOM 494 O GLY A 35 1.833 5.468 1.545 1.00 0.00 O ATOM 0 H GLY A 35 4.893 5.076 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.643 5.970 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.013 7.141 3.053 1.00 0.00 H new ATOM 498 N SER A 36 3.318 3.958 2.307 1.00 0.00 N ATOM 499 CA SER A 36 2.945 2.937 1.335 1.00 0.00 C ATOM 500 C SER A 36 2.506 1.655 2.035 1.00 0.00 C ATOM 501 O SER A 36 3.022 1.305 3.097 1.00 0.00 O ATOM 502 CB SER A 36 4.118 2.644 0.397 1.00 0.00 C ATOM 503 OG SER A 36 4.779 3.838 0.017 1.00 0.00 O ATOM 0 H SER A 36 4.057 3.677 2.951 1.00 0.00 H new ATOM 0 HA SER A 36 2.107 3.316 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.824 1.975 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.756 2.126 -0.492 1.00 0.00 H new ATOM 0 HG SER A 36 5.539 3.996 0.615 1.00 0.00 H new ATOM 509 N THR A 37 1.548 0.958 1.433 1.00 0.00 N ATOM 510 CA THR A 37 1.037 -0.285 1.997 1.00 0.00 C ATOM 511 C THR A 37 1.691 -1.496 1.342 1.00 0.00 C ATOM 512 O THR A 37 1.900 -1.521 0.129 1.00 0.00 O ATOM 513 CB THR A 37 -0.491 -0.390 1.834 1.00 0.00 C ATOM 514 OG1 THR A 37 -1.115 0.821 2.277 1.00 0.00 O ATOM 515 CG2 THR A 37 -1.040 -1.568 2.625 1.00 0.00 C ATOM 0 H THR A 37 1.110 1.233 0.554 1.00 0.00 H new ATOM 0 HA THR A 37 1.282 -0.274 3.059 1.00 0.00 H new ATOM 0 HB THR A 37 -0.712 -0.547 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.056 0.646 2.488 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.121 -1.622 2.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.585 -2.491 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.808 -1.436 3.682 1.00 0.00 H new ATOM 523 N PHE A 38 2.011 -2.500 2.152 1.00 0.00 N ATOM 524 CA PHE A 38 2.642 -3.716 1.651 1.00 0.00 C ATOM 525 C PHE A 38 2.021 -4.954 2.291 1.00 0.00 C ATOM 526 O PHE A 38 1.287 -4.857 3.274 1.00 0.00 O ATOM 527 CB PHE A 38 4.147 -3.685 1.925 1.00 0.00 C ATOM 528 CG PHE A 38 4.815 -2.423 1.461 1.00 0.00 C ATOM 529 CD1 PHE A 38 5.236 -2.289 0.148 1.00 0.00 C ATOM 530 CD2 PHE A 38 5.024 -1.371 2.338 1.00 0.00 C ATOM 531 CE1 PHE A 38 5.851 -1.128 -0.283 1.00 0.00 C ATOM 532 CE2 PHE A 38 5.638 -0.208 1.913 1.00 0.00 C ATOM 533 CZ PHE A 38 6.054 -0.087 0.601 1.00 0.00 C ATOM 0 H PHE A 38 1.844 -2.496 3.158 1.00 0.00 H new ATOM 0 HA PHE A 38 2.477 -3.765 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.316 -3.804 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.616 -4.537 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.082 -3.101 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.703 -1.461 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.172 -1.036 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.793 0.606 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.537 0.820 0.268 1.00 0.00 H new ATOM 543 N CYS A 39 2.322 -6.118 1.726 1.00 0.00 N ATOM 544 CA CYS A 39 1.795 -7.377 2.239 1.00 0.00 C ATOM 545 C CYS A 39 2.796 -8.044 3.178 1.00 0.00 C ATOM 546 O CYS A 39 2.872 -9.269 3.253 1.00 0.00 O ATOM 547 CB CYS A 39 1.457 -8.321 1.083 1.00 0.00 C ATOM 548 SG CYS A 39 2.912 -9.073 0.287 1.00 0.00 S ATOM 0 H CYS A 39 2.929 -6.216 0.912 1.00 0.00 H new ATOM 0 HA CYS A 39 0.886 -7.160 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.809 -9.115 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.890 -7.770 0.333 1.00 0.00 H new ATOM 553 N GLY A 40 3.562 -7.226 3.894 1.00 0.00 N ATOM 554 CA GLY A 40 4.548 -7.754 4.820 1.00 0.00 C ATOM 555 C GLY A 40 5.810 -8.217 4.120 1.00 0.00 C ATOM 556 O GLY A 40 6.918 -7.963 4.592 1.00 0.00 O ATOM 0 H GLY A 40 3.518 -6.208 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.802 -6.987 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.114 -8.589 5.371 1.00 0.00 H new ATOM 560 N SER A 41 5.643 -8.900 2.992 1.00 0.00 N ATOM 561 CA SER A 41 6.779 -9.405 2.228 1.00 0.00 C ATOM 562 C SER A 41 7.480 -8.272 1.485 1.00 0.00 C ATOM 563 O SER A 41 8.643 -8.423 1.115 1.00 0.00 O ATOM 564 CB SER A 41 6.318 -10.474 1.236 1.00 0.00 C ATOM 565 OG SER A 41 5.751 -11.584 1.909 1.00 0.00 O ATOM 0 H SER A 41 4.732 -9.117 2.587 1.00 0.00 H new ATOM 0 HA SER A 41 7.487 -9.850 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.585 -10.047 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.164 -10.804 0.633 1.00 0.00 H new ATOM 0 HG SER A 41 5.463 -12.252 1.253 1.00 0.00 H new ATOM 571 N HIS A 42 6.764 -7.175 1.284 1.00 0.00 N ATOM 572 CA HIS A 42 7.328 -6.031 0.587 1.00 0.00 C ATOM 573 C HIS A 42 7.235 -4.791 1.477 1.00 0.00 C ATOM 574 O HIS A 42 7.239 -3.651 1.011 1.00 0.00 O ATOM 575 CB HIS A 42 6.653 -5.837 -0.772 1.00 0.00 C ATOM 576 CG HIS A 42 6.531 -7.105 -1.584 1.00 0.00 C ATOM 577 ND1 HIS A 42 5.360 -7.476 -2.223 1.00 0.00 N ATOM 578 CD2 HIS A 42 7.444 -8.081 -1.855 1.00 0.00 C ATOM 579 CE1 HIS A 42 5.571 -8.626 -2.846 1.00 0.00 C ATOM 580 NE2 HIS A 42 6.863 -9.000 -2.616 1.00 0.00 N ATOM 0 H HIS A 42 5.799 -7.054 1.591 1.00 0.00 H new ATOM 0 HA HIS A 42 8.383 -6.210 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.658 -5.421 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.219 -5.103 -1.346 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.467 -8.102 -1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.847 -9.172 -3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.309 -9.846 -2.970 1.00 0.00 H new ATOM 588 N ARG A 43 7.152 -5.040 2.780 1.00 0.00 N ATOM 589 CA ARG A 43 7.056 -3.963 3.759 1.00 0.00 C ATOM 590 C ARG A 43 8.413 -3.296 3.967 1.00 0.00 C ATOM 591 O ARG A 43 8.501 -2.215 4.551 1.00 0.00 O ATOM 592 CB ARG A 43 6.531 -4.502 5.091 1.00 0.00 C ATOM 593 CG ARG A 43 7.571 -5.270 5.890 1.00 0.00 C ATOM 594 CD ARG A 43 7.010 -5.749 7.220 1.00 0.00 C ATOM 595 NE ARG A 43 7.248 -4.786 8.292 1.00 0.00 N ATOM 596 CZ ARG A 43 8.371 -4.736 8.999 1.00 0.00 C ATOM 597 NH1 ARG A 43 9.355 -5.588 8.747 1.00 0.00 N ATOM 598 NH2 ARG A 43 8.513 -3.831 9.959 1.00 0.00 N ATOM 0 H ARG A 43 7.149 -5.977 3.182 1.00 0.00 H new ATOM 0 HA ARG A 43 6.359 -3.218 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.166 -3.669 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.679 -5.154 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.917 -6.126 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.438 -4.633 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.939 -5.923 7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.465 -6.704 7.483 1.00 0.00 H new ATOM 0 HE ARG A 43 6.511 -4.115 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.250 -6.284 8.009 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.217 -5.548 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.759 -3.173 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.376 -3.794 10.501 1.00 0.00 H new ATOM 612 N TYR A 44 9.466 -3.947 3.487 1.00 0.00 N ATOM 613 CA TYR A 44 10.818 -3.418 3.623 1.00 0.00 C ATOM 614 C TYR A 44 11.057 -2.274 2.642 1.00 0.00 C ATOM 615 O TYR A 44 10.475 -2.219 1.559 1.00 0.00 O ATOM 616 CB TYR A 44 11.847 -4.526 3.393 1.00 0.00 C ATOM 617 CG TYR A 44 11.618 -5.753 4.246 1.00 0.00 C ATOM 618 CD1 TYR A 44 10.756 -6.761 3.831 1.00 0.00 C ATOM 619 CD2 TYR A 44 12.264 -5.904 5.467 1.00 0.00 C ATOM 620 CE1 TYR A 44 10.543 -7.883 4.608 1.00 0.00 C ATOM 621 CE2 TYR A 44 12.058 -7.024 6.250 1.00 0.00 C ATOM 622 CZ TYR A 44 11.196 -8.010 5.817 1.00 0.00 C ATOM 623 OH TYR A 44 10.987 -9.127 6.593 1.00 0.00 O ATOM 0 H TYR A 44 9.410 -4.842 3.000 1.00 0.00 H new ATOM 0 HA TYR A 44 10.930 -3.032 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.828 -4.816 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.843 -4.133 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.244 -6.665 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.938 -5.133 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.869 -8.657 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.569 -7.127 7.196 1.00 0.00 H new ATOM 0 HH TYR A 44 11.522 -9.062 7.411 1.00 0.00 H new ATOM 633 N PRO A 45 11.936 -1.338 3.030 1.00 0.00 N ATOM 634 CA PRO A 45 12.274 -0.178 2.200 1.00 0.00 C ATOM 635 C PRO A 45 13.082 -0.564 0.966 1.00 0.00 C ATOM 636 O PRO A 45 12.925 0.031 -0.100 1.00 0.00 O ATOM 637 CB PRO A 45 13.113 0.696 3.136 1.00 0.00 C ATOM 638 CG PRO A 45 13.694 -0.256 4.124 1.00 0.00 C ATOM 639 CD PRO A 45 12.667 -1.339 4.308 1.00 0.00 C ATOM 0 HA PRO A 45 11.384 0.319 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.894 1.225 2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.500 1.452 3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.636 -0.668 3.762 1.00 0.00 H new ATOM 0 HG3 PRO A 45 13.908 0.244 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.133 -2.305 4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 45 12.006 -1.127 5.149 1.00 0.00 H new ATOM 647 N GLU A 46 13.945 -1.564 1.118 1.00 0.00 N ATOM 648 CA GLU A 46 14.777 -2.028 0.014 1.00 0.00 C ATOM 649 C GLU A 46 13.931 -2.721 -1.051 1.00 0.00 C ATOM 650 O GLU A 46 14.362 -2.884 -2.193 1.00 0.00 O ATOM 651 CB GLU A 46 15.855 -2.985 0.527 1.00 0.00 C ATOM 652 CG GLU A 46 15.301 -4.163 1.310 1.00 0.00 C ATOM 653 CD GLU A 46 16.389 -4.994 1.963 1.00 0.00 C ATOM 654 OE1 GLU A 46 17.498 -5.070 1.394 1.00 0.00 O ATOM 655 OE2 GLU A 46 16.131 -5.567 3.042 1.00 0.00 O ATOM 0 H GLU A 46 14.086 -2.068 1.994 1.00 0.00 H new ATOM 0 HA GLU A 46 15.257 -1.159 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.429 -3.360 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.548 -2.432 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.620 -3.796 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.717 -4.796 0.642 1.00 0.00 H new ATOM 662 N LYS A 47 12.725 -3.127 -0.669 1.00 0.00 N ATOM 663 CA LYS A 47 11.817 -3.801 -1.589 1.00 0.00 C ATOM 664 C LYS A 47 10.742 -2.843 -2.091 1.00 0.00 C ATOM 665 O LYS A 47 9.708 -3.301 -2.577 1.00 0.00 O ATOM 666 CB LYS A 47 11.164 -5.004 -0.903 1.00 0.00 C ATOM 667 CG LYS A 47 12.164 -6.004 -0.349 1.00 0.00 C ATOM 668 CD LYS A 47 12.875 -6.756 -1.461 1.00 0.00 C ATOM 669 CE LYS A 47 14.293 -7.134 -1.060 1.00 0.00 C ATOM 670 NZ LYS A 47 15.278 -6.090 -1.457 1.00 0.00 N ATOM 0 H LYS A 47 12.354 -3.001 0.273 1.00 0.00 H new ATOM 0 HA LYS A 47 12.397 -4.149 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.530 -4.649 -0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.514 -5.510 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.898 -5.483 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.650 -6.713 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.314 -7.657 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.902 -6.139 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.338 -7.284 0.019 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.561 -8.082 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.952 -5.935 -0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.793 -6.403 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.778 -5.202 -1.663 1.00 0.00 H new ATOM 684 N HIS A 48 11.004 -1.551 -1.966 1.00 0.00 N ATOM 685 CA HIS A 48 10.052 -0.547 -2.412 1.00 0.00 C ATOM 686 C HIS A 48 10.692 0.840 -2.329 1.00 0.00 C ATOM 687 O HIS A 48 11.252 1.239 -1.308 1.00 0.00 O ATOM 688 CB HIS A 48 8.747 -0.646 -1.620 1.00 0.00 C ATOM 689 CG HIS A 48 8.772 0.086 -0.300 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.791 -0.567 0.920 1.00 0.00 N ATOM 691 CD2 HIS A 48 8.783 1.422 -0.022 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.811 0.344 1.882 1.00 0.00 C ATOM 693 NE2 HIS A 48 8.806 1.576 1.297 1.00 0.00 N ATOM 0 H HIS A 48 11.862 -1.175 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 48 9.791 -0.727 -3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.934 -0.249 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.524 -1.697 -1.437 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.790 -1.578 1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.774 2.219 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.828 0.146 2.943 1.00 0.00 H new ATOM 701 N GLU A 49 10.596 1.570 -3.435 1.00 0.00 N ATOM 702 CA GLU A 49 11.156 2.914 -3.514 1.00 0.00 C ATOM 703 C GLU A 49 10.797 3.727 -2.274 1.00 0.00 C ATOM 704 O GLU A 49 9.777 4.417 -2.243 1.00 0.00 O ATOM 705 CB GLU A 49 10.652 3.629 -4.770 1.00 0.00 C ATOM 706 CG GLU A 49 10.990 2.903 -6.061 1.00 0.00 C ATOM 707 CD GLU A 49 12.445 3.065 -6.457 1.00 0.00 C ATOM 708 OE1 GLU A 49 13.017 4.141 -6.185 1.00 0.00 O ATOM 709 OE2 GLU A 49 13.012 2.116 -7.038 1.00 0.00 O ATOM 0 H GLU A 49 10.136 1.254 -4.289 1.00 0.00 H new ATOM 0 HA GLU A 49 12.241 2.824 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.571 3.746 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.080 4.631 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.764 1.843 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.355 3.280 -6.863 1.00 0.00 H new ATOM 716 N CYS A 50 11.642 3.641 -1.252 1.00 0.00 N ATOM 717 CA CYS A 50 11.416 4.367 -0.008 1.00 0.00 C ATOM 718 C CYS A 50 12.247 5.646 0.035 1.00 0.00 C ATOM 719 O CYS A 50 13.468 5.600 0.184 1.00 0.00 O ATOM 720 CB CYS A 50 11.758 3.482 1.192 1.00 0.00 C ATOM 721 SG CYS A 50 11.101 4.094 2.778 1.00 0.00 S ATOM 0 H CYS A 50 12.490 3.075 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 50 10.362 4.639 0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.370 2.479 1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.842 3.395 1.269 1.00 0.00 H new ATOM 726 N SER A 51 11.576 6.786 -0.097 1.00 0.00 N ATOM 727 CA SER A 51 12.252 8.077 -0.077 1.00 0.00 C ATOM 728 C SER A 51 12.232 8.679 1.325 1.00 0.00 C ATOM 729 O SER A 51 12.118 9.894 1.490 1.00 0.00 O ATOM 730 CB SER A 51 11.591 9.039 -1.066 1.00 0.00 C ATOM 731 OG SER A 51 12.527 9.976 -1.570 1.00 0.00 O ATOM 0 H SER A 51 10.565 6.841 -0.219 1.00 0.00 H new ATOM 0 HA SER A 51 13.289 7.920 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.156 8.475 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.773 9.566 -0.574 1.00 0.00 H new ATOM 0 HG SER A 51 12.080 10.578 -2.201 1.00 0.00 H new ATOM 737 N PHE A 52 12.344 7.820 2.333 1.00 0.00 N ATOM 738 CA PHE A 52 12.338 8.266 3.721 1.00 0.00 C ATOM 739 C PHE A 52 13.657 7.926 4.407 1.00 0.00 C ATOM 740 O PHE A 52 14.329 6.961 4.042 1.00 0.00 O ATOM 741 CB PHE A 52 11.175 7.623 4.480 1.00 0.00 C ATOM 742 CG PHE A 52 10.668 8.458 5.620 1.00 0.00 C ATOM 743 CD1 PHE A 52 10.433 9.813 5.452 1.00 0.00 C ATOM 744 CD2 PHE A 52 10.426 7.889 6.860 1.00 0.00 C ATOM 745 CE1 PHE A 52 9.967 10.585 6.500 1.00 0.00 C ATOM 746 CE2 PHE A 52 9.960 8.655 7.912 1.00 0.00 C ATOM 747 CZ PHE A 52 9.729 10.005 7.731 1.00 0.00 C ATOM 0 H PHE A 52 12.440 6.811 2.214 1.00 0.00 H new ATOM 0 HA PHE A 52 12.214 9.349 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.357 7.437 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.494 6.654 4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.616 10.271 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.604 6.834 7.006 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.789 11.641 6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.777 8.199 8.874 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.363 10.606 8.550 1.00 0.00 H new ATOM 757 N ASP A 53 14.023 8.726 5.403 1.00 0.00 N ATOM 758 CA ASP A 53 15.262 8.511 6.141 1.00 0.00 C ATOM 759 C ASP A 53 14.976 8.243 7.616 1.00 0.00 C ATOM 760 O ASP A 53 15.078 9.141 8.452 1.00 0.00 O ATOM 761 CB ASP A 53 16.182 9.724 6.000 1.00 0.00 C ATOM 762 CG ASP A 53 17.136 9.593 4.829 1.00 0.00 C ATOM 763 OD1 ASP A 53 17.901 8.606 4.793 1.00 0.00 O ATOM 764 OD2 ASP A 53 17.118 10.477 3.947 1.00 0.00 O ATOM 0 H ASP A 53 13.479 9.529 5.718 1.00 0.00 H new ATOM 0 HA ASP A 53 15.759 7.637 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.578 10.622 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.754 9.851 6.919 1.00 0.00 H new ATOM 769 N PHE A 54 14.616 7.002 7.928 1.00 0.00 N ATOM 770 CA PHE A 54 14.314 6.616 9.301 1.00 0.00 C ATOM 771 C PHE A 54 15.425 7.060 10.248 1.00 0.00 C ATOM 772 O PHE A 54 15.164 7.498 11.369 1.00 0.00 O ATOM 773 CB PHE A 54 14.121 5.102 9.397 1.00 0.00 C ATOM 774 CG PHE A 54 13.396 4.514 8.220 1.00 0.00 C ATOM 775 CD1 PHE A 54 12.187 5.044 7.799 1.00 0.00 C ATOM 776 CD2 PHE A 54 13.923 3.432 7.534 1.00 0.00 C ATOM 777 CE1 PHE A 54 11.517 4.505 6.718 1.00 0.00 C ATOM 778 CE2 PHE A 54 13.258 2.889 6.451 1.00 0.00 C ATOM 779 CZ PHE A 54 12.054 3.426 6.042 1.00 0.00 C ATOM 0 H PHE A 54 14.526 6.247 7.248 1.00 0.00 H new ATOM 0 HA PHE A 54 13.390 7.112 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.097 4.625 9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.567 4.871 10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.763 5.889 8.322 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.865 3.008 7.849 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.574 4.926 6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.680 2.045 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.533 3.004 5.196 1.00 0.00 H new ATOM 789 N LYS A 55 16.666 6.942 9.790 1.00 0.00 N ATOM 790 CA LYS A 55 17.819 7.331 10.594 1.00 0.00 C ATOM 791 C LYS A 55 18.583 8.473 9.932 1.00 0.00 C ATOM 792 O LYS A 55 18.440 8.716 8.735 1.00 0.00 O ATOM 793 CB LYS A 55 18.749 6.134 10.801 1.00 0.00 C ATOM 794 CG LYS A 55 19.267 5.534 9.505 1.00 0.00 C ATOM 795 CD LYS A 55 18.359 4.426 9.001 1.00 0.00 C ATOM 796 CE LYS A 55 18.580 4.154 7.521 1.00 0.00 C ATOM 797 NZ LYS A 55 17.374 3.559 6.880 1.00 0.00 N ATOM 0 H LYS A 55 16.900 6.580 8.866 1.00 0.00 H new ATOM 0 HA LYS A 55 17.456 7.673 11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 55 19.597 6.445 11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 55 18.218 5.364 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 55 19.345 6.314 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 20.271 5.140 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.544 3.515 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.318 4.702 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.838 5.084 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.427 3.479 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.390 3.757 5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.371 2.530 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.518 3.974 7.299 1.00 0.00 H new ATOM 811 N GLU A 56 19.396 9.171 10.721 1.00 0.00 N ATOM 812 CA GLU A 56 20.183 10.287 10.210 1.00 0.00 C ATOM 813 C GLU A 56 21.635 9.874 9.991 1.00 0.00 C ATOM 814 O GLU A 56 22.502 10.147 10.821 1.00 0.00 O ATOM 815 CB GLU A 56 20.118 11.471 11.177 1.00 0.00 C ATOM 816 CG GLU A 56 20.736 12.743 10.624 1.00 0.00 C ATOM 817 CD GLU A 56 20.182 13.994 11.279 1.00 0.00 C ATOM 818 OE1 GLU A 56 20.244 14.090 12.522 1.00 0.00 O ATOM 819 OE2 GLU A 56 19.688 14.877 10.547 1.00 0.00 O ATOM 0 H GLU A 56 19.526 8.983 11.715 1.00 0.00 H new ATOM 0 HA GLU A 56 19.760 10.587 9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 56 19.076 11.664 11.432 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.628 11.202 12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 21.816 12.710 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 56 20.559 12.791 9.550 1.00 0.00 H new ATOM 826 N VAL A 57 21.893 9.212 8.867 1.00 0.00 N ATOM 827 CA VAL A 57 23.240 8.760 8.538 1.00 0.00 C ATOM 828 C VAL A 57 24.110 9.922 8.073 1.00 0.00 C ATOM 829 O VAL A 57 25.281 10.019 8.439 1.00 0.00 O ATOM 830 CB VAL A 57 23.217 7.679 7.441 1.00 0.00 C ATOM 831 CG1 VAL A 57 24.632 7.264 7.070 1.00 0.00 C ATOM 832 CG2 VAL A 57 22.401 6.478 7.894 1.00 0.00 C ATOM 0 H VAL A 57 21.187 8.977 8.169 1.00 0.00 H new ATOM 0 HA VAL A 57 23.663 8.334 9.448 1.00 0.00 H new ATOM 0 HB VAL A 57 22.743 8.097 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.595 6.500 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.180 8.131 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 57 25.136 6.864 7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.395 5.724 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.844 6.057 8.797 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.378 6.791 8.104 1.00 0.00 H new ATOM 842 N GLY A 58 23.530 10.804 7.265 1.00 0.00 N ATOM 843 CA GLY A 58 24.267 11.948 6.763 1.00 0.00 C ATOM 844 C GLY A 58 25.654 11.577 6.277 1.00 0.00 C ATOM 845 O GLY A 58 26.618 11.615 7.042 1.00 0.00 O ATOM 0 H GLY A 58 22.562 10.746 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 58 23.709 12.405 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 58 24.350 12.697 7.551 1.00 0.00 H new ATOM 849 N SER A 59 25.755 11.215 5.002 1.00 0.00 N ATOM 850 CA SER A 59 27.034 10.829 4.416 1.00 0.00 C ATOM 851 C SER A 59 26.947 10.803 2.893 1.00 0.00 C ATOM 852 O SER A 59 25.858 10.764 2.323 1.00 0.00 O ATOM 853 CB SER A 59 27.465 9.457 4.938 1.00 0.00 C ATOM 854 OG SER A 59 28.877 9.348 4.978 1.00 0.00 O ATOM 0 H SER A 59 24.967 11.181 4.355 1.00 0.00 H new ATOM 0 HA SER A 59 27.778 11.570 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 27.056 9.299 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 59 27.055 8.676 4.298 1.00 0.00 H new ATOM 0 HG SER A 59 29.127 8.463 5.317 1.00 0.00 H new ATOM 860 N GLY A 60 28.106 10.825 2.240 1.00 0.00 N ATOM 861 CA GLY A 60 28.140 10.803 0.790 1.00 0.00 C ATOM 862 C GLY A 60 29.411 10.177 0.249 1.00 0.00 C ATOM 863 O GLY A 60 29.415 9.044 -0.231 1.00 0.00 O ATOM 0 H GLY A 60 29.021 10.858 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 60 27.279 10.248 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 60 28.051 11.821 0.412 1.00 0.00 H new ATOM 867 N PRO A 61 30.521 10.926 0.322 1.00 0.00 N ATOM 868 CA PRO A 61 31.824 10.459 -0.160 1.00 0.00 C ATOM 869 C PRO A 61 32.399 9.347 0.710 1.00 0.00 C ATOM 870 O PRO A 61 32.003 9.180 1.863 1.00 0.00 O ATOM 871 CB PRO A 61 32.702 11.711 -0.078 1.00 0.00 C ATOM 872 CG PRO A 61 32.067 12.550 0.977 1.00 0.00 C ATOM 873 CD PRO A 61 30.590 12.287 0.882 1.00 0.00 C ATOM 0 HA PRO A 61 31.759 10.032 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 61 33.730 11.458 0.183 1.00 0.00 H new ATOM 0 HB3 PRO A 61 32.735 12.234 -1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.447 12.289 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 32.286 13.606 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.108 12.345 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 61 30.093 13.012 0.238 1.00 0.00 H new ATOM 881 N SER A 62 33.337 8.589 0.150 1.00 0.00 N ATOM 882 CA SER A 62 33.965 7.490 0.874 1.00 0.00 C ATOM 883 C SER A 62 34.695 8.002 2.112 1.00 0.00 C ATOM 884 O SER A 62 35.129 9.153 2.158 1.00 0.00 O ATOM 885 CB SER A 62 34.941 6.743 -0.036 1.00 0.00 C ATOM 886 OG SER A 62 34.249 5.970 -1.001 1.00 0.00 O ATOM 0 H SER A 62 33.679 8.716 -0.803 1.00 0.00 H new ATOM 0 HA SER A 62 33.181 6.804 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 62 35.594 7.457 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 62 35.579 6.095 0.564 1.00 0.00 H new ATOM 0 HG SER A 62 34.895 5.504 -1.571 1.00 0.00 H new ATOM 892 N SER A 63 34.828 7.138 3.113 1.00 0.00 N ATOM 893 CA SER A 63 35.503 7.502 4.353 1.00 0.00 C ATOM 894 C SER A 63 36.565 6.470 4.717 1.00 0.00 C ATOM 895 O SER A 63 36.306 5.268 4.714 1.00 0.00 O ATOM 896 CB SER A 63 34.489 7.631 5.492 1.00 0.00 C ATOM 897 OG SER A 63 34.040 6.357 5.921 1.00 0.00 O ATOM 0 H SER A 63 34.477 6.181 3.089 1.00 0.00 H new ATOM 0 HA SER A 63 35.993 8.464 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 63 34.943 8.161 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 63 33.639 8.227 5.161 1.00 0.00 H new ATOM 0 HG SER A 63 34.593 5.660 5.510 1.00 0.00 H new ATOM 903 N GLY A 64 37.765 6.950 5.031 1.00 0.00 N ATOM 904 CA GLY A 64 38.850 6.057 5.393 1.00 0.00 C ATOM 905 C GLY A 64 39.515 6.451 6.697 1.00 0.00 C ATOM 906 O GLY A 64 38.846 7.008 7.566 1.00 0.00 O ATOM 0 H GLY A 64 38.005 7.941 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 64 38.467 5.040 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 64 39.594 6.052 4.596 1.00 0.00 H new TER 910 GLY A 64 HETATM 911 ZN ZN A 200 3.502 -7.918 -1.576 1.00 0.00 ZN HETATM 912 ZN ZN A 400 8.955 3.150 2.605 1.00 0.00 ZN