USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 78 HIS HD1 : A 78 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -139:sc= 0.00417 (180deg=-0.431) USER MOD Set 2.2: A 58 ASN : amide:sc= -7.03! C(o=-7!,f=-8.5!) 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 -36:sc= 0.918 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 4:sc= 0.118 USER MOD Single : A 23 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.6) USER MOD Single : A 25 MET CE :methyl -146:sc= -0.526 (180deg=-1.51!) USER MOD Single : A 33 SER OG : rot 58:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -1.68 (180deg=-4.17!) USER MOD Single : A 60 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 0.455 (180deg=0.136) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -41:sc= 0.986 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 34:sc= 0.963 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.181 -11.103 9.650 1.00 0.00 N ATOM 2 CA GLY A 1 43.431 -11.719 8.571 1.00 0.00 C ATOM 3 C GLY A 1 42.512 -12.822 9.059 1.00 0.00 C ATOM 4 O GLY A 1 42.898 -13.633 9.901 1.00 0.00 O ATOM 0 H1 GLY A 1 44.794 -10.356 9.265 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.521 -10.689 10.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.766 -11.822 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.841 -10.957 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.126 -12.127 7.837 1.00 0.00 H new ATOM 8 N SER A 2 41.293 -12.851 8.532 1.00 0.00 N ATOM 9 CA SER A 2 40.315 -13.859 8.923 1.00 0.00 C ATOM 10 C SER A 2 40.289 -15.010 7.921 1.00 0.00 C ATOM 11 O SER A 2 40.367 -16.179 8.300 1.00 0.00 O ATOM 12 CB SER A 2 38.923 -13.234 9.034 1.00 0.00 C ATOM 13 OG SER A 2 38.901 -12.208 10.011 1.00 0.00 O ATOM 0 H SER A 2 40.959 -12.188 7.833 1.00 0.00 H new ATOM 0 HA SER A 2 40.607 -14.254 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.626 -12.827 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.195 -14.003 9.293 1.00 0.00 H new ATOM 0 HG SER A 2 38.001 -11.824 10.061 1.00 0.00 H new ATOM 19 N SER A 3 40.180 -14.669 6.641 1.00 0.00 N ATOM 20 CA SER A 3 40.141 -15.673 5.584 1.00 0.00 C ATOM 21 C SER A 3 39.074 -16.725 5.873 1.00 0.00 C ATOM 22 O SER A 3 39.287 -17.917 5.656 1.00 0.00 O ATOM 23 CB SER A 3 41.508 -16.343 5.437 1.00 0.00 C ATOM 24 OG SER A 3 41.690 -17.350 6.417 1.00 0.00 O ATOM 0 H SER A 3 40.117 -13.706 6.311 1.00 0.00 H new ATOM 0 HA SER A 3 39.888 -15.172 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.598 -16.779 4.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 42.295 -15.595 5.529 1.00 0.00 H new ATOM 0 HG SER A 3 41.270 -17.069 7.257 1.00 0.00 H new ATOM 30 N GLY A 4 37.925 -16.274 6.366 1.00 0.00 N ATOM 31 CA GLY A 4 36.841 -17.188 6.678 1.00 0.00 C ATOM 32 C GLY A 4 35.758 -17.185 5.618 1.00 0.00 C ATOM 33 O GLY A 4 35.844 -16.450 4.634 1.00 0.00 O ATOM 0 H GLY A 4 37.725 -15.292 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.239 -18.197 6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 36.405 -16.916 7.639 1.00 0.00 H new ATOM 37 N SER A 5 34.735 -18.010 5.818 1.00 0.00 N ATOM 38 CA SER A 5 33.632 -18.104 4.868 1.00 0.00 C ATOM 39 C SER A 5 32.321 -18.411 5.587 1.00 0.00 C ATOM 40 O SER A 5 32.305 -19.109 6.600 1.00 0.00 O ATOM 41 CB SER A 5 33.920 -19.186 3.825 1.00 0.00 C ATOM 42 OG SER A 5 32.887 -19.248 2.857 1.00 0.00 O ATOM 0 H SER A 5 34.647 -18.623 6.629 1.00 0.00 H new ATOM 0 HA SER A 5 33.535 -17.142 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.871 -18.979 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.020 -20.153 4.318 1.00 0.00 H new ATOM 0 HG SER A 5 33.095 -19.946 2.201 1.00 0.00 H new ATOM 48 N SER A 6 31.224 -17.882 5.054 1.00 0.00 N ATOM 49 CA SER A 6 29.908 -18.095 5.645 1.00 0.00 C ATOM 50 C SER A 6 28.881 -18.444 4.573 1.00 0.00 C ATOM 51 O SER A 6 29.173 -18.399 3.379 1.00 0.00 O ATOM 52 CB SER A 6 29.461 -16.847 6.409 1.00 0.00 C ATOM 53 OG SER A 6 29.107 -15.803 5.518 1.00 0.00 O ATOM 0 H SER A 6 31.221 -17.303 4.214 1.00 0.00 H new ATOM 0 HA SER A 6 29.980 -18.932 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.610 -17.091 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.264 -16.512 7.066 1.00 0.00 H new ATOM 0 HG SER A 6 28.823 -15.017 6.031 1.00 0.00 H new ATOM 59 N GLY A 7 27.674 -18.793 5.009 1.00 0.00 N ATOM 60 CA GLY A 7 26.621 -19.145 4.075 1.00 0.00 C ATOM 61 C GLY A 7 25.332 -19.529 4.773 1.00 0.00 C ATOM 62 O GLY A 7 25.317 -20.426 5.617 1.00 0.00 O ATOM 0 H GLY A 7 27.407 -18.838 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.433 -18.302 3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.955 -19.975 3.452 1.00 0.00 H new ATOM 66 N VAL A 8 24.245 -18.849 4.423 1.00 0.00 N ATOM 67 CA VAL A 8 22.944 -19.124 5.023 1.00 0.00 C ATOM 68 C VAL A 8 21.814 -18.813 4.049 1.00 0.00 C ATOM 69 O VAL A 8 21.891 -17.858 3.276 1.00 0.00 O ATOM 70 CB VAL A 8 22.736 -18.306 6.311 1.00 0.00 C ATOM 71 CG1 VAL A 8 22.865 -16.818 6.026 1.00 0.00 C ATOM 72 CG2 VAL A 8 21.384 -18.623 6.930 1.00 0.00 C ATOM 0 H VAL A 8 24.239 -18.103 3.727 1.00 0.00 H new ATOM 0 HA VAL A 8 22.927 -20.186 5.269 1.00 0.00 H new ATOM 0 HB VAL A 8 23.511 -18.583 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.715 -16.257 6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.859 -16.608 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.114 -16.521 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.254 -18.036 7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.593 -18.376 6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.335 -19.684 7.173 1.00 0.00 H new ATOM 82 N ARG A 9 20.763 -19.626 4.092 1.00 0.00 N ATOM 83 CA ARG A 9 19.615 -19.438 3.212 1.00 0.00 C ATOM 84 C ARG A 9 18.328 -19.895 3.893 1.00 0.00 C ATOM 85 O ARG A 9 18.139 -21.083 4.151 1.00 0.00 O ATOM 86 CB ARG A 9 19.815 -20.210 1.906 1.00 0.00 C ATOM 87 CG ARG A 9 20.861 -19.595 0.990 1.00 0.00 C ATOM 88 CD ARG A 9 21.358 -20.598 -0.040 1.00 0.00 C ATOM 89 NE ARG A 9 22.225 -19.975 -1.036 1.00 0.00 N ATOM 90 CZ ARG A 9 23.150 -20.638 -1.722 1.00 0.00 C ATOM 91 NH1 ARG A 9 23.327 -21.936 -1.520 1.00 0.00 N ATOM 92 NH2 ARG A 9 23.900 -20.001 -2.612 1.00 0.00 N ATOM 0 H ARG A 9 20.683 -20.421 4.726 1.00 0.00 H new ATOM 0 HA ARG A 9 19.530 -18.375 2.988 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.106 -21.234 2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 9 18.864 -20.262 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.437 -18.729 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.701 -19.236 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 9 21.901 -21.397 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 9 20.505 -21.058 -0.539 1.00 0.00 H new ATOM 0 HE ARG A 9 22.115 -18.977 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.752 -22.429 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 9 24.038 -22.442 -2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 9 23.767 -19.002 -2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.610 -20.510 -3.138 1.00 0.00 H new ATOM 106 N ALA A 10 17.448 -18.942 4.181 1.00 0.00 N ATOM 107 CA ALA A 10 16.178 -19.246 4.830 1.00 0.00 C ATOM 108 C ALA A 10 15.001 -18.819 3.960 1.00 0.00 C ATOM 109 O ALA A 10 14.648 -17.642 3.884 1.00 0.00 O ATOM 110 CB ALA A 10 16.105 -18.567 6.190 1.00 0.00 C ATOM 0 H ALA A 10 17.591 -17.953 3.975 1.00 0.00 H new ATOM 0 HA ALA A 10 16.119 -20.325 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.152 -18.802 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.921 -18.924 6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.190 -17.488 6.063 1.00 0.00 H new ATOM 116 N PRO A 11 14.377 -19.797 3.287 1.00 0.00 N ATOM 117 CA PRO A 11 13.230 -19.547 2.409 1.00 0.00 C ATOM 118 C PRO A 11 11.980 -19.153 3.188 1.00 0.00 C ATOM 119 O PRO A 11 11.969 -19.179 4.419 1.00 0.00 O ATOM 120 CB PRO A 11 13.020 -20.891 1.707 1.00 0.00 C ATOM 121 CG PRO A 11 13.590 -21.900 2.643 1.00 0.00 C ATOM 122 CD PRO A 11 14.744 -21.223 3.330 1.00 0.00 C ATOM 0 HA PRO A 11 13.413 -18.718 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.963 -21.078 1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.525 -20.917 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.843 -22.227 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.923 -22.787 2.105 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.865 -21.576 4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.686 -21.411 2.814 1.00 0.00 H new ATOM 130 N VAL A 12 10.927 -18.788 2.464 1.00 0.00 N ATOM 131 CA VAL A 12 9.670 -18.389 3.087 1.00 0.00 C ATOM 132 C VAL A 12 8.478 -18.996 2.357 1.00 0.00 C ATOM 133 O VAL A 12 8.552 -19.298 1.165 1.00 0.00 O ATOM 134 CB VAL A 12 9.518 -16.857 3.113 1.00 0.00 C ATOM 135 CG1 VAL A 12 10.599 -16.227 3.978 1.00 0.00 C ATOM 136 CG2 VAL A 12 9.558 -16.294 1.700 1.00 0.00 C ATOM 0 H VAL A 12 10.919 -18.760 1.444 1.00 0.00 H new ATOM 0 HA VAL A 12 9.692 -18.761 4.111 1.00 0.00 H new ATOM 0 HB VAL A 12 8.550 -16.613 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.475 -15.144 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.518 -16.607 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.580 -16.478 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.449 -15.210 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.510 -16.547 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.743 -16.721 1.115 1.00 0.00 H new ATOM 146 N THR A 13 7.375 -19.172 3.079 1.00 0.00 N ATOM 147 CA THR A 13 6.166 -19.743 2.500 1.00 0.00 C ATOM 148 C THR A 13 4.922 -19.016 2.998 1.00 0.00 C ATOM 149 O THR A 13 4.878 -18.546 4.135 1.00 0.00 O ATOM 150 CB THR A 13 6.038 -21.242 2.832 1.00 0.00 C ATOM 151 OG1 THR A 13 4.924 -21.805 2.130 1.00 0.00 O ATOM 152 CG2 THR A 13 5.861 -21.452 4.328 1.00 0.00 C ATOM 0 H THR A 13 7.295 -18.927 4.066 1.00 0.00 H new ATOM 0 HA THR A 13 6.246 -19.623 1.420 1.00 0.00 H new ATOM 0 HB THR A 13 6.955 -21.741 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.850 -22.758 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.773 -22.518 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.724 -21.048 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.959 -20.940 4.663 1.00 0.00 H new ATOM 160 N LYS A 14 3.911 -18.928 2.141 1.00 0.00 N ATOM 161 CA LYS A 14 2.664 -18.260 2.494 1.00 0.00 C ATOM 162 C LYS A 14 1.489 -19.230 2.427 1.00 0.00 C ATOM 163 O LYS A 14 1.517 -20.203 1.673 1.00 0.00 O ATOM 164 CB LYS A 14 2.414 -17.075 1.559 1.00 0.00 C ATOM 165 CG LYS A 14 3.508 -16.023 1.604 1.00 0.00 C ATOM 166 CD LYS A 14 3.353 -15.108 2.808 1.00 0.00 C ATOM 167 CE LYS A 14 4.587 -14.242 3.012 1.00 0.00 C ATOM 168 NZ LYS A 14 4.496 -12.960 2.260 1.00 0.00 N ATOM 0 H LYS A 14 3.931 -19.311 1.196 1.00 0.00 H new ATOM 0 HA LYS A 14 2.754 -17.895 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.317 -17.443 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.464 -16.610 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.482 -16.511 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.482 -15.430 0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.479 -14.471 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.176 -15.707 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.711 -14.032 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.472 -14.790 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.356 -12.399 2.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.403 -13.160 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.666 -12.425 2.585 1.00 0.00 H new ATOM 182 N VAL A 15 0.456 -18.958 3.219 1.00 0.00 N ATOM 183 CA VAL A 15 -0.730 -19.806 3.247 1.00 0.00 C ATOM 184 C VAL A 15 -1.988 -18.982 3.493 1.00 0.00 C ATOM 185 O VAL A 15 -2.007 -18.095 4.347 1.00 0.00 O ATOM 186 CB VAL A 15 -0.619 -20.890 4.336 1.00 0.00 C ATOM 187 CG1 VAL A 15 -1.886 -21.730 4.384 1.00 0.00 C ATOM 188 CG2 VAL A 15 0.602 -21.765 4.094 1.00 0.00 C ATOM 0 H VAL A 15 0.417 -18.157 3.850 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.799 -20.287 2.271 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.500 -20.399 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.789 -22.490 5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.739 -21.089 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.039 -22.213 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.665 -22.525 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.516 -22.248 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.501 -21.149 4.115 1.00 0.00 H new ATOM 198 N HIS A 16 -3.041 -19.280 2.738 1.00 0.00 N ATOM 199 CA HIS A 16 -4.306 -18.568 2.873 1.00 0.00 C ATOM 200 C HIS A 16 -5.486 -19.526 2.748 1.00 0.00 C ATOM 201 O HIS A 16 -5.564 -20.311 1.804 1.00 0.00 O ATOM 202 CB HIS A 16 -4.413 -17.468 1.816 1.00 0.00 C ATOM 203 CG HIS A 16 -5.749 -16.792 1.788 1.00 0.00 C ATOM 204 ND1 HIS A 16 -6.326 -16.219 2.901 1.00 0.00 N ATOM 205 CD2 HIS A 16 -6.621 -16.597 0.771 1.00 0.00 C ATOM 206 CE1 HIS A 16 -7.496 -15.702 2.571 1.00 0.00 C ATOM 207 NE2 HIS A 16 -7.699 -15.918 1.284 1.00 0.00 N ATOM 0 H HIS A 16 -3.043 -20.010 2.026 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.333 -18.114 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.641 -16.721 2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.212 -17.898 0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.493 -16.916 -0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.172 -15.190 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.522 -15.628 0.757 1.00 0.00 H new ATOM 216 N GLY A 17 -6.403 -19.458 3.709 1.00 0.00 N ATOM 217 CA GLY A 17 -7.566 -20.326 3.687 1.00 0.00 C ATOM 218 C GLY A 17 -8.446 -20.146 4.909 1.00 0.00 C ATOM 219 O GLY A 17 -7.949 -20.017 6.027 1.00 0.00 O ATOM 0 H GLY A 17 -6.361 -18.818 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.150 -20.123 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.240 -21.364 3.627 1.00 0.00 H new ATOM 223 N GLY A 18 -9.758 -20.137 4.695 1.00 0.00 N ATOM 224 CA GLY A 18 -10.688 -19.969 5.797 1.00 0.00 C ATOM 225 C GLY A 18 -12.052 -20.560 5.499 1.00 0.00 C ATOM 226 O GLY A 18 -12.602 -20.354 4.418 1.00 0.00 O ATOM 0 H GLY A 18 -10.194 -20.243 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.278 -20.441 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.796 -18.907 6.019 1.00 0.00 H new ATOM 230 N ALA A 19 -12.598 -21.297 6.460 1.00 0.00 N ATOM 231 CA ALA A 19 -13.906 -21.919 6.296 1.00 0.00 C ATOM 232 C ALA A 19 -14.826 -21.581 7.464 1.00 0.00 C ATOM 233 O ALA A 19 -14.390 -21.522 8.613 1.00 0.00 O ATOM 234 CB ALA A 19 -13.760 -23.427 6.156 1.00 0.00 C ATOM 0 H ALA A 19 -12.155 -21.478 7.361 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.357 -21.523 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -14.745 -23.878 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.147 -23.654 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.284 -23.831 7.049 1.00 0.00 H new ATOM 240 N GLY A 20 -16.102 -21.359 7.162 1.00 0.00 N ATOM 241 CA GLY A 20 -17.062 -21.028 8.199 1.00 0.00 C ATOM 242 C GLY A 20 -18.304 -20.357 7.645 1.00 0.00 C ATOM 243 O GLY A 20 -19.156 -21.012 7.045 1.00 0.00 O ATOM 0 H GLY A 20 -16.488 -21.402 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.349 -21.937 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.591 -20.369 8.929 1.00 0.00 H new ATOM 247 N SER A 21 -18.408 -19.048 7.849 1.00 0.00 N ATOM 248 CA SER A 21 -19.557 -18.289 7.371 1.00 0.00 C ATOM 249 C SER A 21 -19.156 -16.859 7.020 1.00 0.00 C ATOM 250 O SER A 21 -18.349 -16.242 7.713 1.00 0.00 O ATOM 251 CB SER A 21 -20.662 -18.276 8.429 1.00 0.00 C ATOM 252 OG SER A 21 -21.245 -19.559 8.574 1.00 0.00 O ATOM 0 H SER A 21 -17.710 -18.491 8.342 1.00 0.00 H new ATOM 0 HA SER A 21 -19.932 -18.774 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 21 -20.251 -17.950 9.384 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.429 -17.554 8.149 1.00 0.00 H new ATOM 0 HG SER A 21 -20.772 -20.200 8.003 1.00 0.00 H new ATOM 258 N ALA A 22 -19.727 -16.340 5.938 1.00 0.00 N ATOM 259 CA ALA A 22 -19.432 -14.983 5.495 1.00 0.00 C ATOM 260 C ALA A 22 -20.420 -14.527 4.427 1.00 0.00 C ATOM 261 O ALA A 22 -21.204 -15.325 3.913 1.00 0.00 O ATOM 262 CB ALA A 22 -18.007 -14.898 4.969 1.00 0.00 C ATOM 0 H ALA A 22 -20.397 -16.839 5.352 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.532 -14.318 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.800 -13.879 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -17.310 -15.173 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.888 -15.581 4.128 1.00 0.00 H new ATOM 268 N GLN A 23 -20.377 -13.240 4.098 1.00 0.00 N ATOM 269 CA GLN A 23 -21.271 -12.679 3.092 1.00 0.00 C ATOM 270 C GLN A 23 -20.657 -12.783 1.700 1.00 0.00 C ATOM 271 O GLN A 23 -21.095 -12.111 0.766 1.00 0.00 O ATOM 272 CB GLN A 23 -21.584 -11.217 3.416 1.00 0.00 C ATOM 273 CG GLN A 23 -22.896 -10.730 2.824 1.00 0.00 C ATOM 274 CD GLN A 23 -24.102 -11.421 3.429 1.00 0.00 C ATOM 275 OE1 GLN A 23 -24.130 -11.711 4.625 1.00 0.00 O ATOM 276 NE2 GLN A 23 -25.107 -11.690 2.603 1.00 0.00 N ATOM 0 H GLN A 23 -19.733 -12.567 4.513 1.00 0.00 H new ATOM 0 HA GLN A 23 -22.197 -13.253 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.615 -11.092 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -20.773 -10.590 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -22.983 -9.655 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.889 -10.898 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -25.041 -11.432 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -25.945 -12.155 2.953 1.00 0.00 H new ATOM 285 N ARG A 24 -19.640 -13.629 1.569 1.00 0.00 N ATOM 286 CA ARG A 24 -18.965 -13.820 0.291 1.00 0.00 C ATOM 287 C ARG A 24 -18.434 -12.494 -0.247 1.00 0.00 C ATOM 288 O ARG A 24 -18.633 -12.163 -1.415 1.00 0.00 O ATOM 289 CB ARG A 24 -19.920 -14.449 -0.726 1.00 0.00 C ATOM 290 CG ARG A 24 -20.303 -15.882 -0.395 1.00 0.00 C ATOM 291 CD ARG A 24 -19.225 -16.862 -0.832 1.00 0.00 C ATOM 292 NE ARG A 24 -18.033 -16.773 0.008 1.00 0.00 N ATOM 293 CZ ARG A 24 -17.881 -17.445 1.143 1.00 0.00 C ATOM 294 NH1 ARG A 24 -18.842 -18.253 1.572 1.00 0.00 N ATOM 295 NH2 ARG A 24 -16.767 -17.312 1.851 1.00 0.00 N ATOM 0 H ARG A 24 -19.266 -14.193 2.332 1.00 0.00 H new ATOM 0 HA ARG A 24 -18.122 -14.492 0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.825 -13.844 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.456 -14.424 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -20.469 -15.977 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -21.244 -16.131 -0.886 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.621 -17.877 -0.794 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -18.954 -16.664 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.275 -16.161 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.699 -18.359 1.030 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.723 -18.768 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.026 -16.693 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.652 -17.829 2.723 1.00 0.00 H new ATOM 309 N MET A 25 -17.757 -11.741 0.614 1.00 0.00 N ATOM 310 CA MET A 25 -17.197 -10.452 0.225 1.00 0.00 C ATOM 311 C MET A 25 -15.821 -10.247 0.851 1.00 0.00 C ATOM 312 O MET A 25 -15.563 -10.645 1.987 1.00 0.00 O ATOM 313 CB MET A 25 -18.134 -9.318 0.643 1.00 0.00 C ATOM 314 CG MET A 25 -17.970 -8.897 2.095 1.00 0.00 C ATOM 315 SD MET A 25 -18.198 -10.268 3.245 1.00 0.00 S ATOM 316 CE MET A 25 -16.935 -9.901 4.461 1.00 0.00 C ATOM 0 H MET A 25 -17.583 -12.001 1.585 1.00 0.00 H new ATOM 0 HA MET A 25 -17.089 -10.443 -0.860 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.956 -8.455 0.001 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.165 -9.630 0.478 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.977 -8.471 2.236 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.690 -8.111 2.325 1.00 0.00 H new ATOM 0 HE1 MET A 25 -16.525 -10.832 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.139 -9.321 3.995 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.372 -9.326 5.277 1.00 0.00 H new ATOM 326 N PRO A 26 -14.915 -9.611 0.093 1.00 0.00 N ATOM 327 CA PRO A 26 -13.550 -9.339 0.553 1.00 0.00 C ATOM 328 C PRO A 26 -13.509 -8.287 1.657 1.00 0.00 C ATOM 329 O PRO A 26 -14.294 -7.338 1.654 1.00 0.00 O ATOM 330 CB PRO A 26 -12.848 -8.820 -0.705 1.00 0.00 C ATOM 331 CG PRO A 26 -13.943 -8.259 -1.545 1.00 0.00 C ATOM 332 CD PRO A 26 -15.153 -9.109 -1.270 1.00 0.00 C ATOM 0 HA PRO A 26 -13.082 -10.224 0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.107 -8.059 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.322 -9.621 -1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.133 -7.216 -1.292 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.678 -8.288 -2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.074 -8.528 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.243 -9.924 -1.988 1.00 0.00 H new ATOM 340 N LEU A 27 -12.590 -8.462 2.600 1.00 0.00 N ATOM 341 CA LEU A 27 -12.446 -7.527 3.711 1.00 0.00 C ATOM 342 C LEU A 27 -11.274 -6.580 3.477 1.00 0.00 C ATOM 343 O LEU A 27 -10.122 -7.007 3.401 1.00 0.00 O ATOM 344 CB LEU A 27 -12.247 -8.290 5.022 1.00 0.00 C ATOM 345 CG LEU A 27 -12.924 -7.692 6.256 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.402 -6.290 6.525 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.436 -7.675 6.078 1.00 0.00 C ATOM 0 H LEU A 27 -11.933 -9.242 2.618 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.359 -6.935 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.616 -9.307 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.177 -8.362 5.218 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.686 -8.317 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.895 -5.881 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.326 -6.329 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.610 -5.653 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.902 -7.246 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.693 -7.073 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.797 -8.693 5.935 1.00 0.00 H new ATOM 359 N CYS A 28 -11.576 -5.290 3.366 1.00 0.00 N ATOM 360 CA CYS A 28 -10.548 -4.281 3.143 1.00 0.00 C ATOM 361 C CYS A 28 -9.430 -4.406 4.174 1.00 0.00 C ATOM 362 O CYS A 28 -9.643 -4.185 5.366 1.00 0.00 O ATOM 363 CB CYS A 28 -11.158 -2.879 3.205 1.00 0.00 C ATOM 364 SG CYS A 28 -10.061 -1.562 2.587 1.00 0.00 S ATOM 0 H CYS A 28 -12.524 -4.920 3.427 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.125 -4.443 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.081 -2.870 2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.428 -2.657 4.237 1.00 0.00 H new ATOM 369 N ASP A 29 -8.238 -4.761 3.706 1.00 0.00 N ATOM 370 CA ASP A 29 -7.086 -4.914 4.586 1.00 0.00 C ATOM 371 C ASP A 29 -6.584 -3.556 5.066 1.00 0.00 C ATOM 372 O ASP A 29 -5.598 -3.469 5.798 1.00 0.00 O ATOM 373 CB ASP A 29 -5.962 -5.661 3.865 1.00 0.00 C ATOM 374 CG ASP A 29 -5.136 -6.514 4.808 1.00 0.00 C ATOM 375 OD1 ASP A 29 -4.210 -5.969 5.444 1.00 0.00 O ATOM 376 OD2 ASP A 29 -5.417 -7.726 4.910 1.00 0.00 O ATOM 0 H ASP A 29 -8.045 -4.948 2.722 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.398 -5.493 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.390 -6.294 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.312 -4.941 3.367 1.00 0.00 H new ATOM 381 N LYS A 30 -7.268 -2.496 4.647 1.00 0.00 N ATOM 382 CA LYS A 30 -6.893 -1.141 5.033 1.00 0.00 C ATOM 383 C LYS A 30 -7.735 -0.658 6.210 1.00 0.00 C ATOM 384 O LYS A 30 -7.202 -0.248 7.241 1.00 0.00 O ATOM 385 CB LYS A 30 -7.058 -0.187 3.848 1.00 0.00 C ATOM 386 CG LYS A 30 -6.623 1.237 4.149 1.00 0.00 C ATOM 387 CD LYS A 30 -5.207 1.501 3.666 1.00 0.00 C ATOM 388 CE LYS A 30 -4.649 2.789 4.252 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.323 3.992 3.689 1.00 0.00 N ATOM 0 H LYS A 30 -8.086 -2.550 4.040 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.847 -1.153 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.479 -0.564 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.103 -0.181 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.308 1.937 3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.682 1.417 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.565 0.665 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.198 1.561 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.771 2.778 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.579 2.845 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.616 4.732 3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.798 3.739 2.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.027 4.346 4.368 1.00 0.00 H new ATOM 403 N CYS A 31 -9.053 -0.710 6.048 1.00 0.00 N ATOM 404 CA CYS A 31 -9.970 -0.279 7.097 1.00 0.00 C ATOM 405 C CYS A 31 -10.757 -1.462 7.652 1.00 0.00 C ATOM 406 O CYS A 31 -11.746 -1.286 8.361 1.00 0.00 O ATOM 407 CB CYS A 31 -10.933 0.780 6.557 1.00 0.00 C ATOM 408 SG CYS A 31 -12.050 0.173 5.252 1.00 0.00 S ATOM 0 H CYS A 31 -9.510 -1.046 5.200 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.380 0.153 7.905 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.532 1.166 7.382 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.354 1.616 6.165 1.00 0.00 H new ATOM 413 N GLY A 32 -10.309 -2.670 7.323 1.00 0.00 N ATOM 414 CA GLY A 32 -10.982 -3.866 7.797 1.00 0.00 C ATOM 415 C GLY A 32 -12.489 -3.703 7.843 1.00 0.00 C ATOM 416 O GLY A 32 -13.125 -4.028 8.846 1.00 0.00 O ATOM 0 H GLY A 32 -9.492 -2.842 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.730 -4.703 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.616 -4.115 8.793 1.00 0.00 H new ATOM 420 N SER A 33 -13.061 -3.197 6.755 1.00 0.00 N ATOM 421 CA SER A 33 -14.502 -2.986 6.677 1.00 0.00 C ATOM 422 C SER A 33 -15.084 -3.666 5.442 1.00 0.00 C ATOM 423 O SER A 33 -14.697 -3.365 4.314 1.00 0.00 O ATOM 424 CB SER A 33 -14.819 -1.490 6.647 1.00 0.00 C ATOM 425 OG SER A 33 -14.452 -0.866 7.866 1.00 0.00 O ATOM 0 H SER A 33 -12.549 -2.926 5.916 1.00 0.00 H new ATOM 0 HA SER A 33 -14.958 -3.428 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.288 -1.019 5.820 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.884 -1.344 6.467 1.00 0.00 H new ATOM 0 HG SER A 33 -13.496 -1.004 8.029 1.00 0.00 H new ATOM 431 N GLY A 34 -16.018 -4.586 5.665 1.00 0.00 N ATOM 432 CA GLY A 34 -16.639 -5.295 4.562 1.00 0.00 C ATOM 433 C GLY A 34 -16.748 -4.443 3.313 1.00 0.00 C ATOM 434 O GLY A 34 -17.080 -3.260 3.388 1.00 0.00 O ATOM 0 H GLY A 34 -16.355 -4.853 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.060 -6.191 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.634 -5.625 4.861 1.00 0.00 H new ATOM 438 N ILE A 35 -16.467 -5.044 2.162 1.00 0.00 N ATOM 439 CA ILE A 35 -16.534 -4.332 0.892 1.00 0.00 C ATOM 440 C ILE A 35 -17.750 -4.767 0.082 1.00 0.00 C ATOM 441 O ILE A 35 -17.957 -5.957 -0.158 1.00 0.00 O ATOM 442 CB ILE A 35 -15.264 -4.558 0.052 1.00 0.00 C ATOM 443 CG1 ILE A 35 -14.018 -4.195 0.863 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.324 -3.740 -1.230 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.743 -4.797 0.315 1.00 0.00 C ATOM 0 H ILE A 35 -16.191 -6.023 2.083 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.618 -3.271 1.129 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.206 -5.613 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.915 -3.110 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.154 -4.528 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.419 -3.910 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.194 -4.041 -1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.402 -2.681 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.901 -4.497 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.825 -5.884 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.582 -4.444 -0.704 1.00 0.00 H new ATOM 457 N VAL A 36 -18.553 -3.795 -0.340 1.00 0.00 N ATOM 458 CA VAL A 36 -19.748 -4.077 -1.127 1.00 0.00 C ATOM 459 C VAL A 36 -20.087 -2.911 -2.048 1.00 0.00 C ATOM 460 O VAL A 36 -20.380 -1.808 -1.589 1.00 0.00 O ATOM 461 CB VAL A 36 -20.959 -4.371 -0.222 1.00 0.00 C ATOM 462 CG1 VAL A 36 -22.204 -4.620 -1.060 1.00 0.00 C ATOM 463 CG2 VAL A 36 -20.671 -5.558 0.684 1.00 0.00 C ATOM 0 H VAL A 36 -18.398 -2.805 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.530 -4.960 -1.728 1.00 0.00 H new ATOM 0 HB VAL A 36 -21.141 -3.499 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -23.049 -4.826 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -22.419 -3.738 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -22.037 -5.475 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -21.537 -5.752 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -20.462 -6.438 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.807 -5.336 1.310 1.00 0.00 H new ATOM 473 N GLY A 37 -20.045 -3.163 -3.353 1.00 0.00 N ATOM 474 CA GLY A 37 -20.351 -2.125 -4.320 1.00 0.00 C ATOM 475 C GLY A 37 -19.190 -1.841 -5.253 1.00 0.00 C ATOM 476 O GLY A 37 -19.337 -1.902 -6.473 1.00 0.00 O ATOM 0 H GLY A 37 -19.804 -4.068 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.220 -2.424 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.622 -1.210 -3.793 1.00 0.00 H new ATOM 480 N ALA A 38 -18.033 -1.529 -4.678 1.00 0.00 N ATOM 481 CA ALA A 38 -16.843 -1.236 -5.466 1.00 0.00 C ATOM 482 C ALA A 38 -15.574 -1.592 -4.699 1.00 0.00 C ATOM 483 O ALA A 38 -15.373 -1.143 -3.570 1.00 0.00 O ATOM 484 CB ALA A 38 -16.825 0.232 -5.868 1.00 0.00 C ATOM 0 H ALA A 38 -17.895 -1.473 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.875 -1.848 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.931 0.437 -6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.710 0.457 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.821 0.854 -4.973 1.00 0.00 H new ATOM 490 N VAL A 39 -14.721 -2.402 -5.317 1.00 0.00 N ATOM 491 CA VAL A 39 -13.471 -2.818 -4.692 1.00 0.00 C ATOM 492 C VAL A 39 -12.304 -2.698 -5.665 1.00 0.00 C ATOM 493 O VAL A 39 -12.499 -2.542 -6.871 1.00 0.00 O ATOM 494 CB VAL A 39 -13.554 -4.269 -4.184 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.094 -5.240 -5.261 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.730 -4.437 -2.916 1.00 0.00 C ATOM 0 H VAL A 39 -14.873 -2.784 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.304 -2.153 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.594 -4.493 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.160 -6.260 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.730 -5.137 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.062 -5.020 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.800 -5.468 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.688 -4.194 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.111 -3.769 -2.143 1.00 0.00 H new ATOM 506 N VAL A 40 -11.088 -2.772 -5.133 1.00 0.00 N ATOM 507 CA VAL A 40 -9.887 -2.673 -5.955 1.00 0.00 C ATOM 508 C VAL A 40 -8.858 -3.724 -5.552 1.00 0.00 C ATOM 509 O VAL A 40 -8.158 -3.571 -4.551 1.00 0.00 O ATOM 510 CB VAL A 40 -9.247 -1.276 -5.848 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.967 -1.211 -6.667 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.230 -0.205 -6.294 1.00 0.00 C ATOM 0 H VAL A 40 -10.908 -2.900 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.194 -2.845 -6.987 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.992 -1.091 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.529 -0.217 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.260 -1.953 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.194 -1.417 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.761 0.776 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.518 -0.384 -7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.116 -0.238 -5.660 1.00 0.00 H new ATOM 522 N LYS A 41 -8.771 -4.791 -6.339 1.00 0.00 N ATOM 523 CA LYS A 41 -7.826 -5.867 -6.067 1.00 0.00 C ATOM 524 C LYS A 41 -6.673 -5.845 -7.065 1.00 0.00 C ATOM 525 O LYS A 41 -6.887 -5.890 -8.276 1.00 0.00 O ATOM 526 CB LYS A 41 -8.536 -7.222 -6.122 1.00 0.00 C ATOM 527 CG LYS A 41 -7.655 -8.350 -6.633 1.00 0.00 C ATOM 528 CD LYS A 41 -8.484 -9.521 -7.133 1.00 0.00 C ATOM 529 CE LYS A 41 -7.667 -10.804 -7.172 1.00 0.00 C ATOM 530 NZ LYS A 41 -8.214 -11.779 -8.156 1.00 0.00 N ATOM 0 H LYS A 41 -9.344 -4.933 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.420 -5.716 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.895 -7.476 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.413 -7.138 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.021 -7.981 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.993 -8.686 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.350 -9.659 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.864 -9.300 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.634 -10.569 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.654 -11.257 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.630 -12.640 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.191 -12.023 -7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.203 -11.356 -9.106 1.00 0.00 H new ATOM 544 N ALA A 42 -5.451 -5.775 -6.549 1.00 0.00 N ATOM 545 CA ALA A 42 -4.264 -5.750 -7.395 1.00 0.00 C ATOM 546 C ALA A 42 -3.868 -7.158 -7.826 1.00 0.00 C ATOM 547 O ALA A 42 -4.180 -7.589 -8.937 1.00 0.00 O ATOM 548 CB ALA A 42 -3.111 -5.075 -6.668 1.00 0.00 C ATOM 0 H ALA A 42 -5.257 -5.735 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.499 -5.176 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.232 -5.064 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.389 -4.052 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.885 -5.625 -5.755 1.00 0.00 H new ATOM 554 N ARG A 43 -3.177 -7.870 -6.942 1.00 0.00 N ATOM 555 CA ARG A 43 -2.736 -9.229 -7.233 1.00 0.00 C ATOM 556 C ARG A 43 -3.683 -10.253 -6.613 1.00 0.00 C ATOM 557 O ARG A 43 -4.522 -10.835 -7.302 1.00 0.00 O ATOM 558 CB ARG A 43 -1.316 -9.451 -6.709 1.00 0.00 C ATOM 559 CG ARG A 43 -0.509 -10.438 -7.536 1.00 0.00 C ATOM 560 CD ARG A 43 0.966 -10.396 -7.170 1.00 0.00 C ATOM 561 NE ARG A 43 1.767 -11.272 -8.021 1.00 0.00 N ATOM 562 CZ ARG A 43 2.984 -11.696 -7.701 1.00 0.00 C ATOM 563 NH1 ARG A 43 3.539 -11.326 -6.555 1.00 0.00 N ATOM 564 NH2 ARG A 43 3.650 -12.492 -8.528 1.00 0.00 N ATOM 0 H ARG A 43 -2.910 -7.529 -6.019 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.742 -9.361 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.792 -8.495 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.369 -9.809 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.895 -11.445 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.629 -10.210 -8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.332 -9.373 -7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.089 -10.691 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 43 1.370 -11.575 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.031 -10.714 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.474 -11.653 -6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.227 -12.779 -9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.585 -12.817 -8.281 1.00 0.00 H new ATOM 578 N ASP A 44 -3.544 -10.467 -5.309 1.00 0.00 N ATOM 579 CA ASP A 44 -4.387 -11.419 -4.596 1.00 0.00 C ATOM 580 C ASP A 44 -5.178 -10.724 -3.492 1.00 0.00 C ATOM 581 O ASP A 44 -6.238 -11.197 -3.081 1.00 0.00 O ATOM 582 CB ASP A 44 -3.535 -12.541 -4.001 1.00 0.00 C ATOM 583 CG ASP A 44 -2.967 -13.462 -5.064 1.00 0.00 C ATOM 584 OD1 ASP A 44 -2.573 -12.958 -6.136 1.00 0.00 O ATOM 585 OD2 ASP A 44 -2.918 -14.687 -4.823 1.00 0.00 O ATOM 0 H ASP A 44 -2.855 -9.994 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.092 -11.847 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.717 -12.107 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.140 -13.123 -3.305 1.00 0.00 H new ATOM 590 N LYS A 45 -4.655 -9.600 -3.015 1.00 0.00 N ATOM 591 CA LYS A 45 -5.311 -8.838 -1.959 1.00 0.00 C ATOM 592 C LYS A 45 -6.372 -7.908 -2.537 1.00 0.00 C ATOM 593 O LYS A 45 -6.422 -7.684 -3.747 1.00 0.00 O ATOM 594 CB LYS A 45 -4.280 -8.026 -1.171 1.00 0.00 C ATOM 595 CG LYS A 45 -3.659 -8.790 -0.015 1.00 0.00 C ATOM 596 CD LYS A 45 -3.243 -7.858 1.110 1.00 0.00 C ATOM 597 CE LYS A 45 -2.120 -6.927 0.677 1.00 0.00 C ATOM 598 NZ LYS A 45 -2.633 -5.762 -0.096 1.00 0.00 N ATOM 0 H LYS A 45 -3.778 -9.196 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.799 -9.544 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.490 -7.703 -1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.757 -7.125 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.372 -9.522 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.790 -9.345 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.102 -7.269 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.919 -8.445 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.583 -6.571 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.404 -7.480 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.001 -4.948 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.668 -6.004 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.588 -5.519 0.235 1.00 0.00 H new ATOM 612 N TYR A 46 -7.217 -7.367 -1.666 1.00 0.00 N ATOM 613 CA TYR A 46 -8.278 -6.462 -2.091 1.00 0.00 C ATOM 614 C TYR A 46 -8.273 -5.187 -1.253 1.00 0.00 C ATOM 615 O TYR A 46 -7.990 -5.219 -0.055 1.00 0.00 O ATOM 616 CB TYR A 46 -9.639 -7.151 -1.984 1.00 0.00 C ATOM 617 CG TYR A 46 -9.753 -8.399 -2.829 1.00 0.00 C ATOM 618 CD1 TYR A 46 -8.944 -9.502 -2.587 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.670 -8.476 -3.870 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.045 -10.645 -3.357 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.779 -9.614 -4.644 1.00 0.00 C ATOM 622 CZ TYR A 46 -9.964 -10.696 -4.384 1.00 0.00 C ATOM 623 OH TYR A 46 -10.068 -11.832 -5.154 1.00 0.00 O ATOM 0 H TYR A 46 -7.188 -7.540 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.096 -6.193 -3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.825 -7.410 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.417 -6.448 -2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.224 -9.466 -1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.309 -7.630 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.408 -11.494 -3.156 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.498 -9.657 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.763 -11.704 -5.833 1.00 0.00 H new ATOM 633 N ARG A 47 -8.590 -4.065 -1.892 1.00 0.00 N ATOM 634 CA ARG A 47 -8.622 -2.779 -1.207 1.00 0.00 C ATOM 635 C ARG A 47 -9.707 -1.879 -1.793 1.00 0.00 C ATOM 636 O ARG A 47 -9.945 -1.880 -3.001 1.00 0.00 O ATOM 637 CB ARG A 47 -7.261 -2.088 -1.310 1.00 0.00 C ATOM 638 CG ARG A 47 -6.118 -2.907 -0.733 1.00 0.00 C ATOM 639 CD ARG A 47 -5.915 -2.615 0.746 1.00 0.00 C ATOM 640 NE ARG A 47 -4.852 -3.433 1.324 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.597 -3.019 1.461 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.250 -1.803 1.063 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.687 -3.822 1.996 1.00 0.00 N ATOM 0 H ARG A 47 -8.828 -4.021 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.851 -2.960 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.050 -1.873 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.309 -1.130 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.324 -3.969 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.200 -2.687 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.673 -1.560 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.846 -2.798 1.283 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.086 -4.374 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.947 -1.183 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.286 -1.487 1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.950 -4.758 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.724 -3.503 2.101 1.00 0.00 H new ATOM 657 N HIS A 48 -10.362 -1.111 -0.927 1.00 0.00 N ATOM 658 CA HIS A 48 -11.421 -0.206 -1.359 1.00 0.00 C ATOM 659 C HIS A 48 -10.927 0.721 -2.466 1.00 0.00 C ATOM 660 O HIS A 48 -9.726 0.890 -2.677 1.00 0.00 O ATOM 661 CB HIS A 48 -11.929 0.620 -0.176 1.00 0.00 C ATOM 662 CG HIS A 48 -13.060 -0.026 0.564 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.138 -0.057 1.940 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.163 -0.666 0.111 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.240 -0.690 2.302 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.880 -1.069 1.211 1.00 0.00 N ATOM 0 H HIS A 48 -10.178 -1.098 0.076 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.241 -0.808 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.105 0.793 0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.253 1.596 -0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.430 -0.829 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.562 -0.867 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.763 -1.578 1.189 1.00 0.00 H new ATOM 674 N PRO A 49 -11.874 1.334 -3.191 1.00 0.00 N ATOM 675 CA PRO A 49 -11.559 2.253 -4.289 1.00 0.00 C ATOM 676 C PRO A 49 -10.953 3.562 -3.793 1.00 0.00 C ATOM 677 O PRO A 49 -10.449 4.360 -4.583 1.00 0.00 O ATOM 678 CB PRO A 49 -12.921 2.508 -4.940 1.00 0.00 C ATOM 679 CG PRO A 49 -13.912 2.264 -3.854 1.00 0.00 C ATOM 680 CD PRO A 49 -13.325 1.178 -2.995 1.00 0.00 C ATOM 0 HA PRO A 49 -10.817 1.836 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.993 3.527 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.087 1.840 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -14.086 3.170 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.874 1.959 -4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.604 1.299 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.668 0.191 -3.305 1.00 0.00 H new ATOM 688 N GLU A 50 -11.004 3.773 -2.482 1.00 0.00 N ATOM 689 CA GLU A 50 -10.459 4.986 -1.883 1.00 0.00 C ATOM 690 C GLU A 50 -9.324 4.654 -0.918 1.00 0.00 C ATOM 691 O GLU A 50 -8.431 5.470 -0.689 1.00 0.00 O ATOM 692 CB GLU A 50 -11.558 5.757 -1.149 1.00 0.00 C ATOM 693 CG GLU A 50 -12.115 5.021 0.059 1.00 0.00 C ATOM 694 CD GLU A 50 -13.304 5.731 0.677 1.00 0.00 C ATOM 695 OE1 GLU A 50 -13.115 6.837 1.224 1.00 0.00 O ATOM 696 OE2 GLU A 50 -14.423 5.180 0.615 1.00 0.00 O ATOM 0 H GLU A 50 -11.416 3.121 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.061 5.609 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.161 6.720 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.371 5.964 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.411 4.015 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.331 4.914 0.808 1.00 0.00 H new ATOM 703 N CYS A 51 -9.367 3.451 -0.356 1.00 0.00 N ATOM 704 CA CYS A 51 -8.345 3.009 0.585 1.00 0.00 C ATOM 705 C CYS A 51 -7.033 2.715 -0.137 1.00 0.00 C ATOM 706 O CYS A 51 -5.950 2.944 0.403 1.00 0.00 O ATOM 707 CB CYS A 51 -8.817 1.763 1.336 1.00 0.00 C ATOM 708 SG CYS A 51 -10.161 2.077 2.525 1.00 0.00 S ATOM 0 H CYS A 51 -10.099 2.764 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.174 3.813 1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.153 1.021 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.970 1.329 1.867 1.00 0.00 H new ATOM 713 N PHE A 52 -7.138 2.205 -1.360 1.00 0.00 N ATOM 714 CA PHE A 52 -5.960 1.878 -2.155 1.00 0.00 C ATOM 715 C PHE A 52 -5.015 3.073 -2.243 1.00 0.00 C ATOM 716 O PHE A 52 -5.250 4.011 -3.004 1.00 0.00 O ATOM 717 CB PHE A 52 -6.375 1.437 -3.561 1.00 0.00 C ATOM 718 CG PHE A 52 -5.449 0.423 -4.168 1.00 0.00 C ATOM 719 CD1 PHE A 52 -5.034 -0.680 -3.439 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.994 0.571 -5.468 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.181 -1.614 -3.995 1.00 0.00 C ATOM 722 CE2 PHE A 52 -4.142 -0.361 -6.030 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.736 -1.456 -5.293 1.00 0.00 C ATOM 0 H PHE A 52 -8.026 2.009 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.436 1.058 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.381 1.020 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.419 2.312 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.381 -0.811 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.309 1.425 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.862 -2.467 -3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.794 -0.233 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.072 -2.187 -5.730 1.00 0.00 H new ATOM 733 N VAL A 53 -3.943 3.030 -1.457 1.00 0.00 N ATOM 734 CA VAL A 53 -2.961 4.108 -1.446 1.00 0.00 C ATOM 735 C VAL A 53 -1.614 3.617 -0.927 1.00 0.00 C ATOM 736 O VAL A 53 -1.496 2.494 -0.437 1.00 0.00 O ATOM 737 CB VAL A 53 -3.433 5.289 -0.577 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.799 5.776 -1.037 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.466 4.891 0.890 1.00 0.00 C ATOM 0 H VAL A 53 -3.733 2.261 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.850 4.446 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.724 6.109 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.117 6.611 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.738 6.103 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.522 4.964 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.802 5.737 1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.153 4.056 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.467 4.594 1.209 1.00 0.00 H new ATOM 749 N CYS A 54 -0.598 4.467 -1.038 1.00 0.00 N ATOM 750 CA CYS A 54 0.742 4.122 -0.581 1.00 0.00 C ATOM 751 C CYS A 54 0.776 3.966 0.937 1.00 0.00 C ATOM 752 O CYS A 54 -0.169 4.339 1.631 1.00 0.00 O ATOM 753 CB CYS A 54 1.744 5.193 -1.017 1.00 0.00 C ATOM 754 SG CYS A 54 3.488 4.698 -0.833 1.00 0.00 S ATOM 0 H CYS A 54 -0.678 5.401 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 54 1.019 3.169 -1.033 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.558 5.447 -2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.570 6.097 -0.433 1.00 0.00 H new ATOM 759 N ALA A 55 1.872 3.412 1.445 1.00 0.00 N ATOM 760 CA ALA A 55 2.030 3.208 2.880 1.00 0.00 C ATOM 761 C ALA A 55 2.988 4.233 3.477 1.00 0.00 C ATOM 762 O ALA A 55 3.204 4.263 4.689 1.00 0.00 O ATOM 763 CB ALA A 55 2.522 1.796 3.161 1.00 0.00 C ATOM 0 H ALA A 55 2.664 3.096 0.884 1.00 0.00 H new ATOM 0 HA ALA A 55 1.056 3.342 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.636 1.658 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.800 1.076 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.484 1.642 2.672 1.00 0.00 H new ATOM 769 N ASP A 56 3.561 5.071 2.620 1.00 0.00 N ATOM 770 CA ASP A 56 4.496 6.098 3.063 1.00 0.00 C ATOM 771 C ASP A 56 3.935 7.493 2.802 1.00 0.00 C ATOM 772 O ASP A 56 4.090 8.400 3.620 1.00 0.00 O ATOM 773 CB ASP A 56 5.841 5.934 2.354 1.00 0.00 C ATOM 774 CG ASP A 56 6.991 6.514 3.153 1.00 0.00 C ATOM 775 OD1 ASP A 56 7.495 5.817 4.059 1.00 0.00 O ATOM 776 OD2 ASP A 56 7.388 7.664 2.872 1.00 0.00 O ATOM 0 H ASP A 56 3.394 5.059 1.614 1.00 0.00 H new ATOM 0 HA ASP A 56 4.644 5.981 4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.026 4.875 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.797 6.421 1.380 1.00 0.00 H new ATOM 781 N CYS A 57 3.284 7.658 1.655 1.00 0.00 N ATOM 782 CA CYS A 57 2.702 8.941 1.283 1.00 0.00 C ATOM 783 C CYS A 57 1.187 8.829 1.136 1.00 0.00 C ATOM 784 O CYS A 57 0.487 9.836 1.037 1.00 0.00 O ATOM 785 CB CYS A 57 3.316 9.445 -0.024 1.00 0.00 C ATOM 786 SG CYS A 57 3.171 8.274 -1.413 1.00 0.00 S ATOM 0 H CYS A 57 3.147 6.918 0.967 1.00 0.00 H new ATOM 0 HA CYS A 57 2.921 9.654 2.078 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.835 10.383 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.370 9.665 0.143 1.00 0.00 H new ATOM 791 N ASN A 58 0.689 7.597 1.123 1.00 0.00 N ATOM 792 CA ASN A 58 -0.742 7.353 0.988 1.00 0.00 C ATOM 793 C ASN A 58 -1.266 7.905 -0.334 1.00 0.00 C ATOM 794 O ASN A 58 -2.295 8.582 -0.373 1.00 0.00 O ATOM 795 CB ASN A 58 -1.502 7.987 2.155 1.00 0.00 C ATOM 796 CG ASN A 58 -2.826 7.299 2.425 1.00 0.00 C ATOM 797 OD1 ASN A 58 -2.887 6.307 3.152 1.00 0.00 O ATOM 798 ND2 ASN A 58 -3.896 7.825 1.839 1.00 0.00 N ATOM 0 H ASN A 58 1.255 6.752 1.204 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.903 6.275 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.885 7.946 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.680 9.040 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.815 7.406 1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.799 8.648 1.244 1.00 0.00 H new ATOM 805 N LEU A 59 -0.553 7.612 -1.415 1.00 0.00 N ATOM 806 CA LEU A 59 -0.945 8.079 -2.741 1.00 0.00 C ATOM 807 C LEU A 59 -1.822 7.047 -3.443 1.00 0.00 C ATOM 808 O LEU A 59 -1.485 5.866 -3.499 1.00 0.00 O ATOM 809 CB LEU A 59 0.295 8.372 -3.587 1.00 0.00 C ATOM 810 CG LEU A 59 0.223 9.615 -4.475 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.547 9.839 -5.188 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.912 9.488 -5.480 1.00 0.00 C ATOM 0 H LEU A 59 0.300 7.053 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.520 8.997 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.150 8.476 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.490 7.507 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 59 0.025 10.479 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.477 10.728 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.338 9.977 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.776 8.974 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.948 10.382 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.745 8.614 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.858 9.378 -4.949 1.00 0.00 H new ATOM 824 N ASN A 60 -2.949 7.504 -3.980 1.00 0.00 N ATOM 825 CA ASN A 60 -3.875 6.622 -4.681 1.00 0.00 C ATOM 826 C ASN A 60 -3.162 5.860 -5.794 1.00 0.00 C ATOM 827 O ASN A 60 -2.843 6.424 -6.842 1.00 0.00 O ATOM 828 CB ASN A 60 -5.039 7.427 -5.262 1.00 0.00 C ATOM 829 CG ASN A 60 -5.911 8.042 -4.185 1.00 0.00 C ATOM 830 OD1 ASN A 60 -5.870 9.250 -3.952 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.706 7.211 -3.522 1.00 0.00 N ATOM 0 H ASN A 60 -3.243 8.480 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.265 5.901 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.647 8.217 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.648 6.778 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.316 7.567 -2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.707 6.217 -3.749 1.00 0.00 H new ATOM 838 N LEU A 61 -2.916 4.576 -5.561 1.00 0.00 N ATOM 839 CA LEU A 61 -2.241 3.735 -6.545 1.00 0.00 C ATOM 840 C LEU A 61 -3.233 3.190 -7.567 1.00 0.00 C ATOM 841 O LEU A 61 -2.845 2.721 -8.637 1.00 0.00 O ATOM 842 CB LEU A 61 -1.521 2.579 -5.848 1.00 0.00 C ATOM 843 CG LEU A 61 -0.823 2.919 -4.531 1.00 0.00 C ATOM 844 CD1 LEU A 61 -0.324 1.655 -3.849 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.327 3.887 -4.771 1.00 0.00 C ATOM 0 H LEU A 61 -3.173 4.094 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.508 4.348 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.246 1.788 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.779 2.173 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.546 3.401 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.170 1.917 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.167 0.996 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.384 1.144 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.812 4.118 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.050 3.432 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.057 4.805 -5.215 1.00 0.00 H new ATOM 857 N LYS A 62 -4.517 3.255 -7.230 1.00 0.00 N ATOM 858 CA LYS A 62 -5.567 2.771 -8.119 1.00 0.00 C ATOM 859 C LYS A 62 -5.222 3.061 -9.577 1.00 0.00 C ATOM 860 O LYS A 62 -5.024 2.142 -10.371 1.00 0.00 O ATOM 861 CB LYS A 62 -6.906 3.421 -7.762 1.00 0.00 C ATOM 862 CG LYS A 62 -7.941 3.331 -8.870 1.00 0.00 C ATOM 863 CD LYS A 62 -8.473 1.916 -9.022 1.00 0.00 C ATOM 864 CE LYS A 62 -8.894 1.629 -10.455 1.00 0.00 C ATOM 865 NZ LYS A 62 -7.766 1.096 -11.268 1.00 0.00 N ATOM 0 H LYS A 62 -4.855 3.638 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.648 1.692 -7.991 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.304 2.945 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.737 4.470 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.766 4.010 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.498 3.657 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.706 1.203 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.324 1.773 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.714 0.910 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.271 2.543 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.908 1.349 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.871 1.505 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.730 0.061 -11.175 1.00 0.00 H new ATOM 879 N GLN A 63 -5.152 4.343 -9.920 1.00 0.00 N ATOM 880 CA GLN A 63 -4.830 4.752 -11.282 1.00 0.00 C ATOM 881 C GLN A 63 -3.336 4.610 -11.554 1.00 0.00 C ATOM 882 O GLN A 63 -2.930 4.179 -12.633 1.00 0.00 O ATOM 883 CB GLN A 63 -5.268 6.199 -11.519 1.00 0.00 C ATOM 884 CG GLN A 63 -4.908 7.138 -10.380 1.00 0.00 C ATOM 885 CD GLN A 63 -4.908 8.594 -10.802 1.00 0.00 C ATOM 886 OE1 GLN A 63 -3.877 9.266 -10.759 1.00 0.00 O ATOM 887 NE2 GLN A 63 -6.069 9.091 -11.214 1.00 0.00 N ATOM 0 H GLN A 63 -5.314 5.116 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.369 4.099 -11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.808 6.563 -12.438 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.347 6.223 -11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.616 7.000 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.923 6.875 -9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.899 8.499 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.130 10.065 -11.511 1.00 0.00 H new ATOM 896 N LYS A 64 -2.523 4.976 -10.570 1.00 0.00 N ATOM 897 CA LYS A 64 -1.073 4.888 -10.702 1.00 0.00 C ATOM 898 C LYS A 64 -0.612 3.435 -10.678 1.00 0.00 C ATOM 899 O LYS A 64 -1.420 2.518 -10.537 1.00 0.00 O ATOM 900 CB LYS A 64 -0.390 5.670 -9.578 1.00 0.00 C ATOM 901 CG LYS A 64 -0.599 7.172 -9.667 1.00 0.00 C ATOM 902 CD LYS A 64 0.294 7.918 -8.690 1.00 0.00 C ATOM 903 CE LYS A 64 0.085 9.422 -8.781 1.00 0.00 C ATOM 904 NZ LYS A 64 0.712 9.996 -10.004 1.00 0.00 N ATOM 0 H LYS A 64 -2.843 5.337 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.793 5.323 -11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.767 5.315 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.679 5.459 -9.598 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.391 7.510 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.643 7.408 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.085 7.581 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.338 7.681 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.983 9.641 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.507 9.901 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.547 11.023 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.735 9.810 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.292 9.557 -10.848 1.00 0.00 H new ATOM 918 N GLY A 65 0.695 3.231 -10.815 1.00 0.00 N ATOM 919 CA GLY A 65 1.242 1.887 -10.805 1.00 0.00 C ATOM 920 C GLY A 65 1.511 1.381 -9.402 1.00 0.00 C ATOM 921 O GLY A 65 2.499 1.764 -8.775 1.00 0.00 O ATOM 0 H GLY A 65 1.385 3.973 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.547 1.212 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.169 1.871 -11.378 1.00 0.00 H new ATOM 925 N TYR A 66 0.630 0.518 -8.907 1.00 0.00 N ATOM 926 CA TYR A 66 0.775 -0.038 -7.567 1.00 0.00 C ATOM 927 C TYR A 66 1.997 -0.947 -7.484 1.00 0.00 C ATOM 928 O TYR A 66 2.508 -1.415 -8.502 1.00 0.00 O ATOM 929 CB TYR A 66 -0.482 -0.818 -7.177 1.00 0.00 C ATOM 930 CG TYR A 66 -0.549 -2.201 -7.784 1.00 0.00 C ATOM 931 CD1 TYR A 66 0.028 -3.291 -7.144 1.00 0.00 C ATOM 932 CD2 TYR A 66 -1.190 -2.418 -8.998 1.00 0.00 C ATOM 933 CE1 TYR A 66 -0.030 -4.556 -7.695 1.00 0.00 C ATOM 934 CE2 TYR A 66 -1.254 -3.681 -9.556 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.672 -4.746 -8.901 1.00 0.00 C ATOM 936 OH TYR A 66 -0.733 -6.005 -9.452 1.00 0.00 O ATOM 0 H TYR A 66 -0.192 0.189 -9.414 1.00 0.00 H new ATOM 0 HA TYR A 66 0.912 0.789 -6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.523 -0.905 -6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.361 -0.252 -7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.531 -3.146 -6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.646 -1.586 -9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.425 -5.392 -7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.757 -3.833 -10.500 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.221 -5.967 -10.301 1.00 0.00 H new ATOM 946 N PHE A 67 2.462 -1.193 -6.263 1.00 0.00 N ATOM 947 CA PHE A 67 3.624 -2.045 -6.045 1.00 0.00 C ATOM 948 C PHE A 67 3.422 -2.939 -4.825 1.00 0.00 C ATOM 949 O PHE A 67 2.601 -2.646 -3.956 1.00 0.00 O ATOM 950 CB PHE A 67 4.882 -1.192 -5.863 1.00 0.00 C ATOM 951 CG PHE A 67 5.545 -0.819 -7.158 1.00 0.00 C ATOM 952 CD1 PHE A 67 4.900 0.000 -8.071 1.00 0.00 C ATOM 953 CD2 PHE A 67 6.813 -1.287 -7.463 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.508 0.346 -9.263 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.426 -0.944 -8.653 1.00 0.00 C ATOM 956 CZ PHE A 67 6.772 -0.128 -9.555 1.00 0.00 C ATOM 0 H PHE A 67 2.051 -0.814 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 67 3.747 -2.680 -6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.620 -0.282 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.594 -1.737 -5.243 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.911 0.372 -7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.328 -1.927 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.995 0.986 -9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.416 -1.314 -8.877 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.248 0.139 -10.487 1.00 0.00 H new ATOM 966 N PHE A 68 4.177 -4.032 -4.768 1.00 0.00 N ATOM 967 CA PHE A 68 4.080 -4.970 -3.656 1.00 0.00 C ATOM 968 C PHE A 68 5.453 -5.234 -3.046 1.00 0.00 C ATOM 969 O PHE A 68 6.252 -5.994 -3.593 1.00 0.00 O ATOM 970 CB PHE A 68 3.456 -6.286 -4.125 1.00 0.00 C ATOM 971 CG PHE A 68 1.957 -6.308 -4.024 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.330 -6.183 -2.795 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.176 -6.455 -5.158 1.00 0.00 C ATOM 974 CE1 PHE A 68 -0.048 -6.202 -2.698 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.203 -6.475 -5.069 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.816 -6.350 -3.837 1.00 0.00 C ATOM 0 H PHE A 68 4.862 -4.289 -5.479 1.00 0.00 H new ATOM 0 HA PHE A 68 3.442 -4.525 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.745 -6.467 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.864 -7.104 -3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.926 -6.069 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.650 -6.555 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.524 -6.101 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.801 -6.588 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.893 -6.368 -3.764 1.00 0.00 H new ATOM 986 N VAL A 69 5.721 -4.601 -1.909 1.00 0.00 N ATOM 987 CA VAL A 69 6.997 -4.766 -1.223 1.00 0.00 C ATOM 988 C VAL A 69 6.798 -5.321 0.183 1.00 0.00 C ATOM 989 O VAL A 69 6.367 -4.605 1.087 1.00 0.00 O ATOM 990 CB VAL A 69 7.764 -3.434 -1.134 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.082 -3.624 -0.399 1.00 0.00 C ATOM 992 CG2 VAL A 69 7.997 -2.859 -2.523 1.00 0.00 C ATOM 0 H VAL A 69 5.071 -3.968 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 69 7.582 -5.474 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 69 7.160 -2.725 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.610 -2.672 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.887 -3.987 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.695 -4.350 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.540 -1.918 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.580 -3.564 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.038 -2.683 -3.009 1.00 0.00 H new ATOM 1002 N GLU A 70 7.114 -6.600 0.359 1.00 0.00 N ATOM 1003 CA GLU A 70 6.969 -7.250 1.657 1.00 0.00 C ATOM 1004 C GLU A 70 5.504 -7.293 2.082 1.00 0.00 C ATOM 1005 O GLU A 70 5.184 -7.142 3.261 1.00 0.00 O ATOM 1006 CB GLU A 70 7.797 -6.518 2.714 1.00 0.00 C ATOM 1007 CG GLU A 70 9.289 -6.520 2.427 1.00 0.00 C ATOM 1008 CD GLU A 70 10.126 -6.383 3.685 1.00 0.00 C ATOM 1009 OE1 GLU A 70 10.017 -5.337 4.358 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.889 -7.322 3.995 1.00 0.00 O ATOM 0 H GLU A 70 7.472 -7.206 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 70 7.333 -8.273 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.451 -5.487 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.622 -6.981 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.556 -7.446 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.525 -5.702 1.747 1.00 0.00 H new ATOM 1017 N GLY A 71 4.618 -7.500 1.113 1.00 0.00 N ATOM 1018 CA GLY A 71 3.198 -7.559 1.407 1.00 0.00 C ATOM 1019 C GLY A 71 2.543 -6.193 1.378 1.00 0.00 C ATOM 1020 O GLY A 71 1.384 -6.061 0.986 1.00 0.00 O ATOM 0 H GLY A 71 4.858 -7.628 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.707 -8.209 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.052 -8.008 2.389 1.00 0.00 H new ATOM 1024 N GLU A 72 3.286 -5.173 1.796 1.00 0.00 N ATOM 1025 CA GLU A 72 2.769 -3.810 1.819 1.00 0.00 C ATOM 1026 C GLU A 72 2.817 -3.186 0.427 1.00 0.00 C ATOM 1027 O GLU A 72 3.613 -3.592 -0.421 1.00 0.00 O ATOM 1028 CB GLU A 72 3.569 -2.953 2.801 1.00 0.00 C ATOM 1029 CG GLU A 72 2.830 -1.710 3.267 1.00 0.00 C ATOM 1030 CD GLU A 72 1.513 -2.034 3.945 1.00 0.00 C ATOM 1031 OE1 GLU A 72 1.532 -2.368 5.148 1.00 0.00 O ATOM 1032 OE2 GLU A 72 0.464 -1.954 3.273 1.00 0.00 O ATOM 0 H GLU A 72 4.248 -5.265 2.123 1.00 0.00 H new ATOM 0 HA GLU A 72 1.730 -3.849 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.829 -3.558 3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.505 -2.653 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.463 -1.153 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.644 -1.060 2.412 1.00 0.00 H new ATOM 1039 N LEU A 73 1.959 -2.198 0.198 1.00 0.00 N ATOM 1040 CA LEU A 73 1.901 -1.518 -1.092 1.00 0.00 C ATOM 1041 C LEU A 73 2.738 -0.243 -1.072 1.00 0.00 C ATOM 1042 O LEU A 73 3.122 0.243 -0.008 1.00 0.00 O ATOM 1043 CB LEU A 73 0.452 -1.185 -1.451 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.319 -2.270 -2.203 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.785 -2.262 -1.797 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.179 -2.080 -3.706 1.00 0.00 C ATOM 0 H LEU A 73 1.294 -1.850 0.888 1.00 0.00 H new ATOM 0 HA LEU A 73 2.310 -2.188 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.086 -0.956 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.448 -0.279 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 73 0.105 -3.239 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.318 -3.041 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.867 -2.448 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.222 -1.291 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.734 -2.861 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.576 -1.105 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.873 -2.138 -3.984 1.00 0.00 H new ATOM 1058 N TYR A 74 3.015 0.295 -2.254 1.00 0.00 N ATOM 1059 CA TYR A 74 3.807 1.514 -2.373 1.00 0.00 C ATOM 1060 C TYR A 74 3.669 2.119 -3.767 1.00 0.00 C ATOM 1061 O TYR A 74 3.331 1.426 -4.727 1.00 0.00 O ATOM 1062 CB TYR A 74 5.278 1.223 -2.074 1.00 0.00 C ATOM 1063 CG TYR A 74 5.558 0.954 -0.613 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.664 1.998 0.298 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.715 -0.344 -0.142 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.920 1.757 1.634 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.969 -0.594 1.192 1.00 0.00 C ATOM 1068 CZ TYR A 74 6.071 0.459 2.076 1.00 0.00 C ATOM 1069 OH TYR A 74 6.325 0.215 3.407 1.00 0.00 O ATOM 0 H TYR A 74 2.703 -0.094 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 74 3.431 2.234 -1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.595 0.361 -2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.881 2.070 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.544 3.015 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.637 -1.172 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.001 2.580 2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.087 -1.609 1.541 1.00 0.00 H new ATOM 0 HH TYR A 74 6.403 -0.751 3.553 1.00 0.00 H new ATOM 1079 N CYS A 75 3.934 3.417 -3.870 1.00 0.00 N ATOM 1080 CA CYS A 75 3.841 4.118 -5.145 1.00 0.00 C ATOM 1081 C CYS A 75 5.094 3.887 -5.985 1.00 0.00 C ATOM 1082 O CYS A 75 6.122 3.442 -5.475 1.00 0.00 O ATOM 1083 CB CYS A 75 3.639 5.617 -4.913 1.00 0.00 C ATOM 1084 SG CYS A 75 4.973 6.408 -3.958 1.00 0.00 S ATOM 0 H CYS A 75 4.215 4.005 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 75 2.983 3.722 -5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.554 6.115 -5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.694 5.769 -4.391 1.00 0.00 H new ATOM 1089 N GLU A 76 4.999 4.193 -7.275 1.00 0.00 N ATOM 1090 CA GLU A 76 6.124 4.018 -8.186 1.00 0.00 C ATOM 1091 C GLU A 76 7.394 4.633 -7.606 1.00 0.00 C ATOM 1092 O GLU A 76 8.484 4.074 -7.735 1.00 0.00 O ATOM 1093 CB GLU A 76 5.813 4.650 -9.544 1.00 0.00 C ATOM 1094 CG GLU A 76 6.576 4.021 -10.698 1.00 0.00 C ATOM 1095 CD GLU A 76 6.109 4.525 -12.050 1.00 0.00 C ATOM 1096 OE1 GLU A 76 4.940 4.951 -12.152 1.00 0.00 O ATOM 1097 OE2 GLU A 76 6.913 4.493 -13.005 1.00 0.00 O ATOM 0 H GLU A 76 4.155 4.563 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 76 6.287 2.949 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.744 4.566 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.047 5.714 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.639 4.232 -10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.460 2.938 -10.658 1.00 0.00 H new ATOM 1104 N THR A 77 7.247 5.788 -6.965 1.00 0.00 N ATOM 1105 CA THR A 77 8.380 6.481 -6.366 1.00 0.00 C ATOM 1106 C THR A 77 8.987 5.663 -5.232 1.00 0.00 C ATOM 1107 O THR A 77 10.096 5.141 -5.354 1.00 0.00 O ATOM 1108 CB THR A 77 7.972 7.864 -5.826 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.442 8.667 -6.886 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.162 8.571 -5.193 1.00 0.00 C ATOM 0 H THR A 77 6.352 6.264 -6.847 1.00 0.00 H new ATOM 0 HA THR A 77 9.122 6.612 -7.153 1.00 0.00 H new ATOM 0 HB THR A 77 7.207 7.720 -5.063 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.183 9.544 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.849 9.546 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.545 7.971 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.946 8.703 -5.939 1.00 0.00 H new ATOM 1118 N HIS A 78 8.254 5.554 -4.129 1.00 0.00 N ATOM 1119 CA HIS A 78 8.720 4.798 -2.972 1.00 0.00 C ATOM 1120 C HIS A 78 9.037 3.356 -3.358 1.00 0.00 C ATOM 1121 O HIS A 78 10.148 2.874 -3.138 1.00 0.00 O ATOM 1122 CB HIS A 78 7.669 4.822 -1.863 1.00 0.00 C ATOM 1123 CG HIS A 78 7.647 6.103 -1.086 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.492 6.814 -0.838 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.649 6.798 -0.498 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.784 7.892 -0.134 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.087 7.906 0.087 1.00 0.00 N ATOM 0 H HIS A 78 7.335 5.980 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 78 9.633 5.267 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.685 4.656 -2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.856 3.995 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.695 6.531 -0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.078 8.636 0.204 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.593 8.623 0.607 1.00 0.00 H new ATOM 1135 N ALA A 79 8.052 2.672 -3.932 1.00 0.00 N ATOM 1136 CA ALA A 79 8.227 1.286 -4.349 1.00 0.00 C ATOM 1137 C ALA A 79 9.554 1.094 -5.075 1.00 0.00 C ATOM 1138 O ALA A 79 10.368 0.256 -4.689 1.00 0.00 O ATOM 1139 CB ALA A 79 7.069 0.853 -5.236 1.00 0.00 C ATOM 0 H ALA A 79 7.125 3.055 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 79 8.239 0.662 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.212 -0.184 -5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.134 0.943 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.031 1.489 -6.120 1.00 0.00 H new ATOM 1145 N ARG A 80 9.764 1.876 -6.130 1.00 0.00 N ATOM 1146 CA ARG A 80 10.992 1.790 -6.911 1.00 0.00 C ATOM 1147 C ARG A 80 12.214 1.731 -6.000 1.00 0.00 C ATOM 1148 O ARG A 80 13.149 0.970 -6.248 1.00 0.00 O ATOM 1149 CB ARG A 80 11.105 2.988 -7.856 1.00 0.00 C ATOM 1150 CG ARG A 80 10.441 2.764 -9.205 1.00 0.00 C ATOM 1151 CD ARG A 80 10.585 3.981 -10.106 1.00 0.00 C ATOM 1152 NE ARG A 80 11.930 4.092 -10.665 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.312 3.488 -11.785 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.456 2.734 -12.461 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.553 3.637 -12.230 1.00 0.00 N ATOM 0 H ARG A 80 9.100 2.575 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 80 10.955 0.873 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.656 3.859 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.159 3.218 -8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.886 1.896 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.384 2.541 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.859 3.920 -10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.353 4.882 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 80 12.613 4.664 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.501 2.616 -12.121 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.752 2.272 -13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.214 4.216 -11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.846 3.173 -13.090 1.00 0.00 H new ATOM 1169 N ALA A 81 12.198 2.539 -4.945 1.00 0.00 N ATOM 1170 CA ALA A 81 13.304 2.577 -3.996 1.00 0.00 C ATOM 1171 C ALA A 81 13.456 1.241 -3.275 1.00 0.00 C ATOM 1172 O ALA A 81 14.570 0.773 -3.044 1.00 0.00 O ATOM 1173 CB ALA A 81 13.098 3.700 -2.991 1.00 0.00 C ATOM 0 H ALA A 81 11.432 3.176 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 81 14.222 2.766 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.931 3.717 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.047 4.654 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.168 3.535 -2.447 1.00 0.00 H new ATOM 1179 N ARG A 82 12.328 0.633 -2.922 1.00 0.00 N ATOM 1180 CA ARG A 82 12.336 -0.648 -2.226 1.00 0.00 C ATOM 1181 C ARG A 82 12.748 -1.776 -3.168 1.00 0.00 C ATOM 1182 O ARG A 82 13.737 -2.469 -2.930 1.00 0.00 O ATOM 1183 CB ARG A 82 10.955 -0.940 -1.636 1.00 0.00 C ATOM 1184 CG ARG A 82 10.471 0.123 -0.664 1.00 0.00 C ATOM 1185 CD ARG A 82 8.952 0.190 -0.623 1.00 0.00 C ATOM 1186 NE ARG A 82 8.474 1.490 -0.161 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.636 1.935 1.080 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.262 1.188 1.979 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.172 3.130 1.423 1.00 0.00 N ATOM 0 H ARG A 82 11.397 1.007 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 82 13.064 -0.590 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.234 -1.033 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.984 -1.902 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.854 -0.093 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.871 1.094 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.553 -0.010 -1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.572 -0.591 0.036 1.00 0.00 H new ATOM 0 HE ARG A 82 7.989 2.090 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.620 0.269 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.385 1.532 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.691 3.707 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.297 3.471 2.376 1.00 0.00 H new ATOM 1203 N THR A 83 11.981 -1.954 -4.240 1.00 0.00 N ATOM 1204 CA THR A 83 12.264 -2.998 -5.216 1.00 0.00 C ATOM 1205 C THR A 83 13.341 -2.554 -6.200 1.00 0.00 C ATOM 1206 O THR A 83 13.491 -3.135 -7.275 1.00 0.00 O ATOM 1207 CB THR A 83 10.999 -3.392 -6.001 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.274 -4.518 -6.841 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.505 -2.229 -6.849 1.00 0.00 C ATOM 0 H THR A 83 11.159 -1.388 -4.453 1.00 0.00 H new ATOM 0 HA THR A 83 12.620 -3.864 -4.658 1.00 0.00 H new ATOM 0 HB THR A 83 10.221 -3.656 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.153 -4.407 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.611 -2.531 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.268 -1.383 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.281 -1.939 -7.557 1.00 0.00 H new ATOM 1217 N SER A 84 14.089 -1.521 -5.825 1.00 0.00 N ATOM 1218 CA SER A 84 15.150 -0.996 -6.676 1.00 0.00 C ATOM 1219 C SER A 84 16.091 -2.112 -7.120 1.00 0.00 C ATOM 1220 O SER A 84 16.773 -2.727 -6.301 1.00 0.00 O ATOM 1221 CB SER A 84 15.937 0.087 -5.936 1.00 0.00 C ATOM 1222 OG SER A 84 17.063 0.504 -6.690 1.00 0.00 O ATOM 0 H SER A 84 13.980 -1.031 -4.937 1.00 0.00 H new ATOM 0 HA SER A 84 14.690 -0.558 -7.562 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.290 0.942 -5.740 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.264 -0.294 -4.968 1.00 0.00 H new ATOM 0 HG SER A 84 17.549 1.198 -6.196 1.00 0.00 H new ATOM 1228 N GLY A 85 16.123 -2.367 -8.425 1.00 0.00 N ATOM 1229 CA GLY A 85 16.983 -3.408 -8.956 1.00 0.00 C ATOM 1230 C GLY A 85 16.499 -4.799 -8.598 1.00 0.00 C ATOM 1231 O GLY A 85 17.166 -5.546 -7.883 1.00 0.00 O ATOM 0 H GLY A 85 15.569 -1.871 -9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.036 -3.313 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.994 -3.269 -8.574 1.00 0.00 H new ATOM 1235 N PRO A 86 15.311 -5.164 -9.102 1.00 0.00 N ATOM 1236 CA PRO A 86 14.711 -6.476 -8.843 1.00 0.00 C ATOM 1237 C PRO A 86 15.463 -7.605 -9.540 1.00 0.00 C ATOM 1238 O PRO A 86 16.284 -7.363 -10.426 1.00 0.00 O ATOM 1239 CB PRO A 86 13.299 -6.340 -9.418 1.00 0.00 C ATOM 1240 CG PRO A 86 13.414 -5.282 -10.460 1.00 0.00 C ATOM 1241 CD PRO A 86 14.461 -4.324 -9.963 1.00 0.00 C ATOM 0 HA PRO A 86 14.732 -6.732 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.954 -7.281 -9.846 1.00 0.00 H new ATOM 0 HB3 PRO A 86 12.583 -6.059 -8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.701 -5.710 -11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.460 -4.775 -10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.029 -3.887 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.018 -3.498 -9.407 1.00 0.00 H new ATOM 1249 N SER A 87 15.178 -8.838 -9.136 1.00 0.00 N ATOM 1250 CA SER A 87 15.831 -10.005 -9.719 1.00 0.00 C ATOM 1251 C SER A 87 15.062 -10.503 -10.939 1.00 0.00 C ATOM 1252 O SER A 87 13.882 -10.197 -11.111 1.00 0.00 O ATOM 1253 CB SER A 87 15.945 -11.124 -8.683 1.00 0.00 C ATOM 1254 OG SER A 87 14.669 -11.641 -8.348 1.00 0.00 O ATOM 0 H SER A 87 14.499 -9.056 -8.407 1.00 0.00 H new ATOM 0 HA SER A 87 16.832 -9.710 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.573 -11.924 -9.075 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.434 -10.745 -7.786 1.00 0.00 H new ATOM 0 HG SER A 87 14.769 -12.356 -7.685 1.00 0.00 H new ATOM 1260 N SER A 88 15.741 -11.273 -11.784 1.00 0.00 N ATOM 1261 CA SER A 88 15.124 -11.812 -12.991 1.00 0.00 C ATOM 1262 C SER A 88 14.095 -12.883 -12.644 1.00 0.00 C ATOM 1263 O SER A 88 14.444 -13.967 -12.178 1.00 0.00 O ATOM 1264 CB SER A 88 16.192 -12.396 -13.918 1.00 0.00 C ATOM 1265 OG SER A 88 16.835 -13.507 -13.319 1.00 0.00 O ATOM 0 H SER A 88 16.718 -11.537 -11.655 1.00 0.00 H new ATOM 0 HA SER A 88 14.614 -10.996 -13.504 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.734 -12.701 -14.859 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.930 -11.630 -14.156 1.00 0.00 H new ATOM 0 HG SER A 88 16.193 -13.996 -12.763 1.00 0.00 H new ATOM 1271 N GLY A 89 12.823 -12.571 -12.874 1.00 0.00 N ATOM 1272 CA GLY A 89 11.762 -13.516 -12.580 1.00 0.00 C ATOM 1273 C GLY A 89 10.863 -13.768 -13.774 1.00 0.00 C ATOM 1274 O GLY A 89 10.642 -14.926 -14.123 1.00 0.00 O ATOM 0 H GLY A 89 12.509 -11.680 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.200 -14.459 -12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.163 -13.139 -11.751 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.448 0.301 3.086 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.621 6.589 -1.660 1.00 0.00 ZN