USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 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= -0.376 USER MOD Set 2.1: A 30 LYS NZ :NH3+ -118:sc= -0.834 (180deg=-1.65!) USER MOD Set 2.2: A 58 ASN : amide:sc= -3.68! C(o=-4.5!,f=-3.9!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.0627 K(o=-2.5,f=-10!) USER MOD Set 3.2: A 25 MET CE :methyl -163:sc= -2.49! (180deg=-2.32) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0876 (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 32:sc= 0.702 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= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 55:sc= 0.98 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.0175 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0391 (180deg=-0.281) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= -0.0935 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 130:sc= 0 USER MOD Single : A 84 SER OG : rot -27:sc= 0.858 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.487 -31.510 24.202 1.00 0.00 N ATOM 2 CA GLY A 1 33.490 -31.337 23.162 1.00 0.00 C ATOM 3 C GLY A 1 32.113 -31.041 23.722 1.00 0.00 C ATOM 4 O GLY A 1 31.973 -30.701 24.897 1.00 0.00 O ATOM 0 H1 GLY A 1 35.301 -30.892 24.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.074 -31.261 25.123 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.801 -32.501 24.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.794 -30.523 22.504 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.445 -32.240 22.553 1.00 0.00 H new ATOM 8 N SER A 2 31.093 -31.168 22.879 1.00 0.00 N ATOM 9 CA SER A 2 29.721 -30.906 23.295 1.00 0.00 C ATOM 10 C SER A 2 28.769 -31.947 22.712 1.00 0.00 C ATOM 11 O SER A 2 29.057 -32.563 21.687 1.00 0.00 O ATOM 12 CB SER A 2 29.291 -29.504 22.857 1.00 0.00 C ATOM 13 OG SER A 2 29.466 -29.330 21.462 1.00 0.00 O ATOM 0 H SER A 2 31.191 -31.451 21.904 1.00 0.00 H new ATOM 0 HA SER A 2 29.679 -30.968 24.382 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.245 -29.343 23.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.873 -28.757 23.396 1.00 0.00 H new ATOM 0 HG SER A 2 29.183 -28.427 21.207 1.00 0.00 H new ATOM 19 N SER A 3 27.632 -32.136 23.375 1.00 0.00 N ATOM 20 CA SER A 3 26.638 -33.104 22.927 1.00 0.00 C ATOM 21 C SER A 3 25.226 -32.617 23.238 1.00 0.00 C ATOM 22 O SER A 3 24.988 -31.987 24.267 1.00 0.00 O ATOM 23 CB SER A 3 26.880 -34.461 23.592 1.00 0.00 C ATOM 24 OG SER A 3 26.386 -34.473 24.920 1.00 0.00 O ATOM 0 H SER A 3 27.377 -31.632 24.224 1.00 0.00 H new ATOM 0 HA SER A 3 26.736 -33.214 21.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.393 -35.246 23.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.947 -34.683 23.596 1.00 0.00 H new ATOM 0 HG SER A 3 26.551 -35.351 25.323 1.00 0.00 H new ATOM 30 N GLY A 4 24.292 -32.915 22.340 1.00 0.00 N ATOM 31 CA GLY A 4 22.916 -32.501 22.536 1.00 0.00 C ATOM 32 C GLY A 4 21.999 -32.997 21.435 1.00 0.00 C ATOM 33 O GLY A 4 22.241 -32.746 20.255 1.00 0.00 O ATOM 0 H GLY A 4 24.464 -33.436 21.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.561 -32.875 23.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.870 -31.413 22.580 1.00 0.00 H new ATOM 37 N SER A 5 20.942 -33.705 21.822 1.00 0.00 N ATOM 38 CA SER A 5 19.988 -34.243 20.859 1.00 0.00 C ATOM 39 C SER A 5 18.576 -34.245 21.436 1.00 0.00 C ATOM 40 O SER A 5 18.389 -34.137 22.648 1.00 0.00 O ATOM 41 CB SER A 5 20.388 -35.663 20.453 1.00 0.00 C ATOM 42 OG SER A 5 19.936 -35.965 19.144 1.00 0.00 O ATOM 0 H SER A 5 20.725 -33.919 22.795 1.00 0.00 H new ATOM 0 HA SER A 5 20.000 -33.603 19.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.472 -35.766 20.500 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.969 -36.379 21.160 1.00 0.00 H new ATOM 0 HG SER A 5 20.205 -36.877 18.907 1.00 0.00 H new ATOM 48 N SER A 6 17.585 -34.369 20.559 1.00 0.00 N ATOM 49 CA SER A 6 16.189 -34.381 20.980 1.00 0.00 C ATOM 50 C SER A 6 15.307 -35.025 19.915 1.00 0.00 C ATOM 51 O SER A 6 15.725 -35.207 18.772 1.00 0.00 O ATOM 52 CB SER A 6 15.708 -32.957 21.265 1.00 0.00 C ATOM 53 OG SER A 6 15.994 -32.580 22.601 1.00 0.00 O ATOM 0 H SER A 6 17.723 -34.463 19.553 1.00 0.00 H new ATOM 0 HA SER A 6 16.115 -34.971 21.894 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.190 -32.262 20.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.635 -32.890 21.087 1.00 0.00 H new ATOM 0 HG SER A 6 16.818 -33.021 22.896 1.00 0.00 H new ATOM 59 N GLY A 7 14.081 -35.368 20.299 1.00 0.00 N ATOM 60 CA GLY A 7 13.157 -35.988 19.367 1.00 0.00 C ATOM 61 C GLY A 7 11.873 -36.437 20.035 1.00 0.00 C ATOM 62 O GLY A 7 11.546 -37.624 20.035 1.00 0.00 O ATOM 0 H GLY A 7 13.711 -35.228 21.239 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.921 -35.282 18.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.639 -36.847 18.899 1.00 0.00 H new ATOM 66 N VAL A 8 11.142 -35.485 20.608 1.00 0.00 N ATOM 67 CA VAL A 8 9.886 -35.789 21.283 1.00 0.00 C ATOM 68 C VAL A 8 8.716 -35.762 20.306 1.00 0.00 C ATOM 69 O VAL A 8 8.746 -35.045 19.306 1.00 0.00 O ATOM 70 CB VAL A 8 9.609 -34.794 22.427 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.510 -33.375 21.888 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.341 -35.180 23.172 1.00 0.00 C ATOM 0 H VAL A 8 11.398 -34.498 20.618 1.00 0.00 H new ATOM 0 HA VAL A 8 9.985 -36.792 21.699 1.00 0.00 H new ATOM 0 HB VAL A 8 10.442 -34.833 23.129 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.314 -32.686 22.710 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.448 -33.104 21.403 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.697 -33.317 21.164 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.160 -34.467 23.976 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.497 -35.171 22.483 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.456 -36.179 23.592 1.00 0.00 H new ATOM 82 N ARG A 9 7.686 -36.547 20.604 1.00 0.00 N ATOM 83 CA ARG A 9 6.505 -36.614 19.751 1.00 0.00 C ATOM 84 C ARG A 9 5.783 -35.270 19.716 1.00 0.00 C ATOM 85 O ARG A 9 6.121 -34.353 20.464 1.00 0.00 O ATOM 86 CB ARG A 9 5.553 -37.704 20.246 1.00 0.00 C ATOM 87 CG ARG A 9 5.032 -37.464 21.654 1.00 0.00 C ATOM 88 CD ARG A 9 3.766 -36.621 21.643 1.00 0.00 C ATOM 89 NE ARG A 9 3.260 -36.376 22.990 1.00 0.00 N ATOM 90 CZ ARG A 9 2.371 -37.157 23.594 1.00 0.00 C ATOM 91 NH1 ARG A 9 1.894 -38.227 22.974 1.00 0.00 N ATOM 92 NH2 ARG A 9 1.959 -36.869 24.822 1.00 0.00 N ATOM 0 H ARG A 9 7.645 -37.145 21.429 1.00 0.00 H new ATOM 0 HA ARG A 9 6.831 -36.858 18.740 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.707 -37.774 19.562 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.067 -38.665 20.217 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.830 -38.420 22.136 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.798 -36.964 22.247 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.969 -35.669 21.153 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.000 -37.125 21.054 1.00 0.00 H new ATOM 0 HE ARG A 9 3.608 -35.561 23.495 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.209 -38.453 22.031 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.212 -38.825 23.440 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.325 -36.047 25.303 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.276 -37.469 25.285 1.00 0.00 H new ATOM 106 N ALA A 10 4.788 -35.161 18.842 1.00 0.00 N ATOM 107 CA ALA A 10 4.018 -33.931 18.710 1.00 0.00 C ATOM 108 C ALA A 10 2.638 -34.207 18.123 1.00 0.00 C ATOM 109 O ALA A 10 2.477 -35.012 17.205 1.00 0.00 O ATOM 110 CB ALA A 10 4.769 -32.927 17.848 1.00 0.00 C ATOM 0 H ALA A 10 4.496 -35.910 18.215 1.00 0.00 H new ATOM 0 HA ALA A 10 3.883 -33.509 19.706 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.182 -32.013 17.758 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.729 -32.697 18.310 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.935 -33.350 16.857 1.00 0.00 H new ATOM 116 N PRO A 11 1.617 -33.526 18.663 1.00 0.00 N ATOM 117 CA PRO A 11 0.232 -33.682 18.207 1.00 0.00 C ATOM 118 C PRO A 11 0.011 -33.101 16.815 1.00 0.00 C ATOM 119 O PRO A 11 0.893 -32.449 16.256 1.00 0.00 O ATOM 120 CB PRO A 11 -0.574 -32.899 19.247 1.00 0.00 C ATOM 121 CG PRO A 11 0.383 -31.893 19.788 1.00 0.00 C ATOM 122 CD PRO A 11 1.735 -32.550 19.759 1.00 0.00 C ATOM 0 HA PRO A 11 -0.055 -34.731 18.126 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.441 -32.418 18.795 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.947 -33.554 20.034 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.377 -30.985 19.185 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.112 -31.603 20.803 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.529 -31.827 19.570 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.966 -33.036 20.707 1.00 0.00 H new ATOM 130 N VAL A 12 -1.172 -33.342 16.259 1.00 0.00 N ATOM 131 CA VAL A 12 -1.509 -32.842 14.932 1.00 0.00 C ATOM 132 C VAL A 12 -2.943 -32.326 14.887 1.00 0.00 C ATOM 133 O VAL A 12 -3.814 -32.814 15.608 1.00 0.00 O ATOM 134 CB VAL A 12 -1.335 -33.934 13.859 1.00 0.00 C ATOM 135 CG1 VAL A 12 0.110 -34.405 13.806 1.00 0.00 C ATOM 136 CG2 VAL A 12 -2.275 -35.100 14.129 1.00 0.00 C ATOM 0 H VAL A 12 -1.913 -33.881 16.707 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.823 -32.022 14.720 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.589 -33.509 12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.214 -35.176 13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.758 -33.563 13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.395 -34.814 14.775 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.139 -35.862 13.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.054 -35.527 15.107 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.306 -34.748 14.111 1.00 0.00 H new ATOM 146 N THR A 13 -3.183 -31.333 14.035 1.00 0.00 N ATOM 147 CA THR A 13 -4.510 -30.749 13.896 1.00 0.00 C ATOM 148 C THR A 13 -5.254 -31.350 12.709 1.00 0.00 C ATOM 149 O THR A 13 -4.640 -31.872 11.778 1.00 0.00 O ATOM 150 CB THR A 13 -4.436 -29.220 13.721 1.00 0.00 C ATOM 151 OG1 THR A 13 -3.683 -28.898 12.547 1.00 0.00 O ATOM 152 CG2 THR A 13 -3.795 -28.567 14.936 1.00 0.00 C ATOM 0 H THR A 13 -2.474 -30.917 13.431 1.00 0.00 H new ATOM 0 HA THR A 13 -5.053 -30.976 14.814 1.00 0.00 H new ATOM 0 HB THR A 13 -5.452 -28.838 13.617 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.642 -27.925 12.442 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.754 -27.488 14.790 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.387 -28.790 15.824 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.785 -28.954 15.067 1.00 0.00 H new ATOM 160 N LYS A 14 -6.580 -31.272 12.746 1.00 0.00 N ATOM 161 CA LYS A 14 -7.409 -31.806 11.672 1.00 0.00 C ATOM 162 C LYS A 14 -8.659 -30.955 11.475 1.00 0.00 C ATOM 163 O LYS A 14 -9.552 -30.940 12.322 1.00 0.00 O ATOM 164 CB LYS A 14 -7.807 -33.252 11.978 1.00 0.00 C ATOM 165 CG LYS A 14 -6.782 -34.275 11.518 1.00 0.00 C ATOM 166 CD LYS A 14 -6.747 -34.386 10.003 1.00 0.00 C ATOM 167 CE LYS A 14 -7.968 -35.118 9.470 1.00 0.00 C ATOM 168 NZ LYS A 14 -8.015 -35.108 7.981 1.00 0.00 N ATOM 0 H LYS A 14 -7.104 -30.844 13.509 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.826 -31.783 10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.958 -33.359 13.052 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.762 -33.466 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.795 -33.994 11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.018 -35.248 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.699 -33.389 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.843 -34.912 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.958 -36.148 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.871 -34.653 9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.862 -35.617 7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.050 -34.126 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.165 -35.574 7.604 1.00 0.00 H new ATOM 182 N VAL A 15 -8.716 -30.247 10.351 1.00 0.00 N ATOM 183 CA VAL A 15 -9.858 -29.395 10.041 1.00 0.00 C ATOM 184 C VAL A 15 -10.609 -29.906 8.817 1.00 0.00 C ATOM 185 O VAL A 15 -10.078 -29.911 7.706 1.00 0.00 O ATOM 186 CB VAL A 15 -9.421 -27.940 9.791 1.00 0.00 C ATOM 187 CG1 VAL A 15 -10.619 -27.079 9.420 1.00 0.00 C ATOM 188 CG2 VAL A 15 -8.710 -27.380 11.014 1.00 0.00 C ATOM 0 H VAL A 15 -7.985 -30.247 9.640 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.519 -29.424 10.907 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.722 -27.927 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.291 -26.054 9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.081 -27.470 8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.345 -27.095 10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.408 -26.351 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.384 -27.405 11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.828 -27.983 11.230 1.00 0.00 H new ATOM 198 N HIS A 16 -11.850 -30.337 9.028 1.00 0.00 N ATOM 199 CA HIS A 16 -12.675 -30.850 7.940 1.00 0.00 C ATOM 200 C HIS A 16 -14.158 -30.739 8.285 1.00 0.00 C ATOM 201 O HIS A 16 -14.541 -30.815 9.451 1.00 0.00 O ATOM 202 CB HIS A 16 -12.317 -32.306 7.642 1.00 0.00 C ATOM 203 CG HIS A 16 -12.817 -33.269 8.675 1.00 0.00 C ATOM 204 ND1 HIS A 16 -13.471 -34.440 8.357 1.00 0.00 N ATOM 205 CD2 HIS A 16 -12.753 -33.230 10.026 1.00 0.00 C ATOM 206 CE1 HIS A 16 -13.790 -35.079 9.468 1.00 0.00 C ATOM 207 NE2 HIS A 16 -13.365 -34.366 10.496 1.00 0.00 N ATOM 0 H HIS A 16 -12.305 -30.341 9.941 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.479 -30.247 7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.729 -32.581 6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.233 -32.397 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.304 -32.450 10.624 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.310 -36.024 9.526 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.474 -34.618 11.478 1.00 0.00 H new ATOM 216 N GLY A 17 -14.987 -30.557 7.261 1.00 0.00 N ATOM 217 CA GLY A 17 -16.417 -30.438 7.477 1.00 0.00 C ATOM 218 C GLY A 17 -16.902 -29.006 7.364 1.00 0.00 C ATOM 219 O GLY A 17 -16.979 -28.289 8.361 1.00 0.00 O ATOM 0 H GLY A 17 -14.694 -30.490 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.944 -31.056 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.666 -30.826 8.465 1.00 0.00 H new ATOM 223 N GLY A 18 -17.230 -28.588 6.145 1.00 0.00 N ATOM 224 CA GLY A 18 -17.705 -27.234 5.928 1.00 0.00 C ATOM 225 C GLY A 18 -17.030 -26.565 4.747 1.00 0.00 C ATOM 226 O GLY A 18 -15.896 -26.099 4.854 1.00 0.00 O ATOM 0 H GLY A 18 -17.175 -29.163 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.782 -27.252 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.529 -26.642 6.826 1.00 0.00 H new ATOM 230 N ALA A 19 -17.728 -26.520 3.617 1.00 0.00 N ATOM 231 CA ALA A 19 -17.190 -25.903 2.411 1.00 0.00 C ATOM 232 C ALA A 19 -17.685 -24.469 2.260 1.00 0.00 C ATOM 233 O ALA A 19 -18.688 -24.082 2.857 1.00 0.00 O ATOM 234 CB ALA A 19 -17.564 -26.725 1.186 1.00 0.00 C ATOM 0 H ALA A 19 -18.667 -26.903 3.512 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.104 -25.877 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -17.156 -26.253 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -17.155 -27.731 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -18.649 -26.781 1.103 1.00 0.00 H new ATOM 240 N GLY A 20 -16.973 -23.683 1.457 1.00 0.00 N ATOM 241 CA GLY A 20 -17.356 -22.300 1.242 1.00 0.00 C ATOM 242 C GLY A 20 -16.515 -21.334 2.054 1.00 0.00 C ATOM 243 O GLY A 20 -15.741 -21.747 2.916 1.00 0.00 O ATOM 0 H GLY A 20 -16.138 -23.980 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.260 -22.060 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.406 -22.172 1.504 1.00 0.00 H new ATOM 247 N SER A 21 -16.666 -20.043 1.776 1.00 0.00 N ATOM 248 CA SER A 21 -15.911 -19.015 2.482 1.00 0.00 C ATOM 249 C SER A 21 -16.760 -18.370 3.573 1.00 0.00 C ATOM 250 O SER A 21 -17.916 -18.015 3.346 1.00 0.00 O ATOM 251 CB SER A 21 -15.422 -17.947 1.502 1.00 0.00 C ATOM 252 OG SER A 21 -14.487 -18.486 0.585 1.00 0.00 O ATOM 0 H SER A 21 -17.305 -19.684 1.066 1.00 0.00 H new ATOM 0 HA SER A 21 -15.049 -19.490 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 21 -16.271 -17.532 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.964 -17.126 2.053 1.00 0.00 H new ATOM 0 HG SER A 21 -14.191 -17.784 -0.031 1.00 0.00 H new ATOM 258 N ALA A 22 -16.178 -18.223 4.759 1.00 0.00 N ATOM 259 CA ALA A 22 -16.879 -17.620 5.885 1.00 0.00 C ATOM 260 C ALA A 22 -17.616 -16.355 5.459 1.00 0.00 C ATOM 261 O ALA A 22 -18.793 -16.176 5.773 1.00 0.00 O ATOM 262 CB ALA A 22 -15.902 -17.310 7.010 1.00 0.00 C ATOM 0 H ALA A 22 -15.222 -18.514 4.964 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.618 -18.335 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.439 -16.860 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.424 -18.232 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.142 -16.616 6.651 1.00 0.00 H new ATOM 268 N GLN A 23 -16.917 -15.481 4.743 1.00 0.00 N ATOM 269 CA GLN A 23 -17.506 -14.232 4.275 1.00 0.00 C ATOM 270 C GLN A 23 -17.845 -14.312 2.790 1.00 0.00 C ATOM 271 O GLN A 23 -17.132 -14.949 2.014 1.00 0.00 O ATOM 272 CB GLN A 23 -16.550 -13.065 4.530 1.00 0.00 C ATOM 273 CG GLN A 23 -15.189 -13.241 3.876 1.00 0.00 C ATOM 274 CD GLN A 23 -14.180 -12.209 4.342 1.00 0.00 C ATOM 275 OE1 GLN A 23 -14.548 -11.152 4.854 1.00 0.00 O ATOM 276 NE2 GLN A 23 -12.899 -12.512 4.167 1.00 0.00 N ATOM 0 H GLN A 23 -15.942 -15.614 4.474 1.00 0.00 H new ATOM 0 HA GLN A 23 -18.429 -14.065 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -17.005 -12.146 4.161 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.415 -12.945 5.605 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.810 -14.239 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.299 -13.174 2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -12.639 -13.400 3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.175 -11.857 4.462 1.00 0.00 H new ATOM 285 N ARG A 24 -18.937 -13.662 2.402 1.00 0.00 N ATOM 286 CA ARG A 24 -19.372 -13.662 1.010 1.00 0.00 C ATOM 287 C ARG A 24 -18.794 -12.464 0.261 1.00 0.00 C ATOM 288 O ARG A 24 -19.283 -12.092 -0.806 1.00 0.00 O ATOM 289 CB ARG A 24 -20.899 -13.638 0.930 1.00 0.00 C ATOM 290 CG ARG A 24 -21.558 -14.885 1.497 1.00 0.00 C ATOM 291 CD ARG A 24 -22.994 -14.614 1.919 1.00 0.00 C ATOM 292 NE ARG A 24 -23.079 -14.140 3.297 1.00 0.00 N ATOM 293 CZ ARG A 24 -23.135 -14.948 4.350 1.00 0.00 C ATOM 294 NH1 ARG A 24 -23.115 -16.263 4.182 1.00 0.00 N ATOM 295 NH2 ARG A 24 -23.212 -14.441 5.574 1.00 0.00 N ATOM 0 H ARG A 24 -19.537 -13.129 3.031 1.00 0.00 H new ATOM 0 HA ARG A 24 -19.005 -14.575 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -21.269 -12.765 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -21.198 -13.521 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -21.541 -15.679 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -20.987 -15.242 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -23.434 -13.872 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -23.581 -15.526 1.812 1.00 0.00 H new ATOM 0 HE ARG A 24 -23.096 -13.133 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -23.056 -16.656 3.243 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -23.158 -16.881 4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -23.228 -13.430 5.707 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -23.255 -15.062 6.382 1.00 0.00 H new ATOM 309 N MET A 25 -17.751 -11.866 0.827 1.00 0.00 N ATOM 310 CA MET A 25 -17.107 -10.711 0.212 1.00 0.00 C ATOM 311 C MET A 25 -15.743 -10.449 0.843 1.00 0.00 C ATOM 312 O MET A 25 -15.495 -10.779 2.003 1.00 0.00 O ATOM 313 CB MET A 25 -17.992 -9.471 0.352 1.00 0.00 C ATOM 314 CG MET A 25 -17.932 -8.834 1.730 1.00 0.00 C ATOM 315 SD MET A 25 -18.535 -9.929 3.029 1.00 0.00 S ATOM 316 CE MET A 25 -17.295 -9.668 4.295 1.00 0.00 C ATOM 0 H MET A 25 -17.334 -12.162 1.710 1.00 0.00 H new ATOM 0 HA MET A 25 -16.963 -10.928 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 25 -17.692 -8.734 -0.393 1.00 0.00 H new ATOM 0 HB3 MET A 25 -19.024 -9.744 0.132 1.00 0.00 H new ATOM 0 HG2 MET A 25 -16.903 -8.549 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 25 -18.523 -7.918 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 25 -17.345 -10.475 5.026 1.00 0.00 H new ATOM 0 HE2 MET A 25 -16.306 -9.654 3.838 1.00 0.00 H new ATOM 0 HE3 MET A 25 -17.478 -8.716 4.793 1.00 0.00 H new ATOM 326 N PRO A 26 -14.835 -9.844 0.063 1.00 0.00 N ATOM 327 CA PRO A 26 -13.481 -9.525 0.525 1.00 0.00 C ATOM 328 C PRO A 26 -13.471 -8.412 1.568 1.00 0.00 C ATOM 329 O PRO A 26 -14.240 -7.454 1.476 1.00 0.00 O ATOM 330 CB PRO A 26 -12.769 -9.067 -0.751 1.00 0.00 C ATOM 331 CG PRO A 26 -13.860 -8.571 -1.636 1.00 0.00 C ATOM 332 CD PRO A 26 -15.061 -9.423 -1.330 1.00 0.00 C ATOM 0 HA PRO A 26 -13.006 -10.376 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.043 -8.282 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.224 -9.888 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.069 -7.518 -1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.579 -8.655 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.989 -8.861 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.129 -10.278 -2.002 1.00 0.00 H new ATOM 340 N LEU A 27 -12.597 -8.545 2.559 1.00 0.00 N ATOM 341 CA LEU A 27 -12.487 -7.550 3.620 1.00 0.00 C ATOM 342 C LEU A 27 -11.292 -6.632 3.384 1.00 0.00 C ATOM 343 O LEU A 27 -10.152 -7.088 3.293 1.00 0.00 O ATOM 344 CB LEU A 27 -12.354 -8.239 4.980 1.00 0.00 C ATOM 345 CG LEU A 27 -13.029 -7.534 6.158 1.00 0.00 C ATOM 346 CD1 LEU A 27 -12.434 -6.150 6.364 1.00 0.00 C ATOM 347 CD2 LEU A 27 -14.531 -7.443 5.935 1.00 0.00 C ATOM 0 H LEU A 27 -11.954 -9.332 2.650 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.394 -6.945 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.768 -9.244 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.294 -8.349 5.207 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.850 -8.121 7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.927 -5.664 7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.367 -6.239 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.581 -5.553 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.995 -6.939 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.730 -6.879 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.946 -8.446 5.838 1.00 0.00 H new ATOM 359 N CYS A 28 -11.560 -5.334 3.287 1.00 0.00 N ATOM 360 CA CYS A 28 -10.509 -4.349 3.063 1.00 0.00 C ATOM 361 C CYS A 28 -9.386 -4.512 4.083 1.00 0.00 C ATOM 362 O CYS A 28 -9.590 -4.322 5.282 1.00 0.00 O ATOM 363 CB CYS A 28 -11.082 -2.933 3.140 1.00 0.00 C ATOM 364 SG CYS A 28 -9.951 -1.640 2.534 1.00 0.00 S ATOM 0 H CYS A 28 -12.498 -4.940 3.360 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.098 -4.513 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.005 -2.894 2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.345 -2.715 4.175 1.00 0.00 H new ATOM 369 N ASP A 29 -8.200 -4.863 3.598 1.00 0.00 N ATOM 370 CA ASP A 29 -7.043 -5.049 4.467 1.00 0.00 C ATOM 371 C ASP A 29 -6.493 -3.706 4.936 1.00 0.00 C ATOM 372 O ASP A 29 -5.486 -3.647 5.641 1.00 0.00 O ATOM 373 CB ASP A 29 -5.952 -5.835 3.738 1.00 0.00 C ATOM 374 CG ASP A 29 -5.106 -6.665 4.684 1.00 0.00 C ATOM 375 OD1 ASP A 29 -5.638 -7.640 5.255 1.00 0.00 O ATOM 376 OD2 ASP A 29 -3.913 -6.339 4.854 1.00 0.00 O ATOM 0 H ASP A 29 -8.014 -5.024 2.608 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.364 -5.614 5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.413 -6.489 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.310 -5.142 3.195 1.00 0.00 H new ATOM 381 N LYS A 30 -7.161 -2.628 4.538 1.00 0.00 N ATOM 382 CA LYS A 30 -6.740 -1.284 4.916 1.00 0.00 C ATOM 383 C LYS A 30 -7.542 -0.780 6.112 1.00 0.00 C ATOM 384 O LYS A 30 -6.975 -0.401 7.138 1.00 0.00 O ATOM 385 CB LYS A 30 -6.906 -0.324 3.736 1.00 0.00 C ATOM 386 CG LYS A 30 -6.450 1.093 4.036 1.00 0.00 C ATOM 387 CD LYS A 30 -5.048 1.351 3.509 1.00 0.00 C ATOM 388 CE LYS A 30 -4.467 2.637 4.077 1.00 0.00 C ATOM 389 NZ LYS A 30 -5.048 3.843 3.425 1.00 0.00 N ATOM 0 H LYS A 30 -7.996 -2.659 3.954 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.688 -1.325 5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.341 -0.706 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.955 -0.304 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.145 1.803 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.472 1.263 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.401 0.513 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.072 1.411 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.655 2.678 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.385 2.637 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.295 4.374 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.765 3.551 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.491 4.448 4.146 1.00 0.00 H new ATOM 403 N CYS A 31 -8.863 -0.778 5.975 1.00 0.00 N ATOM 404 CA CYS A 31 -9.743 -0.321 7.043 1.00 0.00 C ATOM 405 C CYS A 31 -10.553 -1.482 7.615 1.00 0.00 C ATOM 406 O CYS A 31 -11.508 -1.278 8.363 1.00 0.00 O ATOM 407 CB CYS A 31 -10.686 0.767 6.526 1.00 0.00 C ATOM 408 SG CYS A 31 -11.857 0.193 5.254 1.00 0.00 S ATOM 0 H CYS A 31 -9.348 -1.088 5.133 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.123 0.093 7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.249 1.174 7.366 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.091 1.583 6.116 1.00 0.00 H new ATOM 413 N GLY A 32 -10.164 -2.702 7.255 1.00 0.00 N ATOM 414 CA GLY A 32 -10.863 -3.877 7.741 1.00 0.00 C ATOM 415 C GLY A 32 -12.366 -3.683 7.778 1.00 0.00 C ATOM 416 O GLY A 32 -13.015 -3.996 8.776 1.00 0.00 O ATOM 0 H GLY A 32 -9.377 -2.897 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.625 -4.728 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.506 -4.120 8.742 1.00 0.00 H new ATOM 420 N SER A 33 -12.921 -3.163 6.688 1.00 0.00 N ATOM 421 CA SER A 33 -14.357 -2.922 6.601 1.00 0.00 C ATOM 422 C SER A 33 -14.953 -3.621 5.383 1.00 0.00 C ATOM 423 O SER A 33 -14.527 -3.392 4.252 1.00 0.00 O ATOM 424 CB SER A 33 -14.640 -1.420 6.531 1.00 0.00 C ATOM 425 OG SER A 33 -14.215 -0.766 7.714 1.00 0.00 O ATOM 0 H SER A 33 -12.398 -2.900 5.853 1.00 0.00 H new ATOM 0 HA SER A 33 -14.824 -3.331 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.128 -0.990 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.707 -1.254 6.383 1.00 0.00 H new ATOM 0 HG SER A 33 -13.270 -0.969 7.878 1.00 0.00 H new ATOM 431 N GLY A 34 -15.943 -4.476 5.624 1.00 0.00 N ATOM 432 CA GLY A 34 -16.582 -5.196 4.538 1.00 0.00 C ATOM 433 C GLY A 34 -16.627 -4.390 3.256 1.00 0.00 C ATOM 434 O GLY A 34 -16.842 -3.178 3.284 1.00 0.00 O ATOM 0 H GLY A 34 -16.313 -4.683 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.046 -6.128 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.597 -5.464 4.831 1.00 0.00 H new ATOM 438 N ILE A 35 -16.422 -5.062 2.128 1.00 0.00 N ATOM 439 CA ILE A 35 -16.440 -4.400 0.830 1.00 0.00 C ATOM 440 C ILE A 35 -17.642 -4.845 0.003 1.00 0.00 C ATOM 441 O ILE A 35 -17.876 -6.039 -0.180 1.00 0.00 O ATOM 442 CB ILE A 35 -15.152 -4.683 0.036 1.00 0.00 C ATOM 443 CG1 ILE A 35 -13.925 -4.249 0.841 1.00 0.00 C ATOM 444 CG2 ILE A 35 -15.190 -3.969 -1.307 1.00 0.00 C ATOM 445 CD1 ILE A 35 -12.647 -4.934 0.411 1.00 0.00 C ATOM 0 H ILE A 35 -16.241 -6.065 2.087 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.510 -3.329 1.023 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.083 -5.755 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.800 -3.171 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.101 -4.456 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.272 -4.179 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.046 -4.321 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.279 -2.895 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.819 -4.578 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.753 -6.012 0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.447 -4.706 -0.636 1.00 0.00 H new ATOM 457 N VAL A 36 -18.401 -3.875 -0.498 1.00 0.00 N ATOM 458 CA VAL A 36 -19.577 -4.165 -1.309 1.00 0.00 C ATOM 459 C VAL A 36 -19.895 -3.009 -2.250 1.00 0.00 C ATOM 460 O VAL A 36 -20.114 -1.880 -1.812 1.00 0.00 O ATOM 461 CB VAL A 36 -20.809 -4.450 -0.429 1.00 0.00 C ATOM 462 CG1 VAL A 36 -22.036 -4.698 -1.293 1.00 0.00 C ATOM 463 CG2 VAL A 36 -20.544 -5.634 0.489 1.00 0.00 C ATOM 0 H VAL A 36 -18.222 -2.881 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.345 -5.054 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 36 -21.002 -3.575 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -22.896 -4.898 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -22.234 -3.818 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -21.858 -5.557 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -21.424 -5.822 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -20.325 -6.517 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -19.693 -5.412 1.133 1.00 0.00 H new ATOM 473 N GLY A 37 -19.919 -3.298 -3.548 1.00 0.00 N ATOM 474 CA GLY A 37 -20.211 -2.272 -4.531 1.00 0.00 C ATOM 475 C GLY A 37 -19.024 -1.967 -5.422 1.00 0.00 C ATOM 476 O GLY A 37 -19.122 -2.042 -6.646 1.00 0.00 O ATOM 0 H GLY A 37 -19.741 -4.225 -3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.051 -2.593 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.521 -1.361 -4.019 1.00 0.00 H new ATOM 480 N ALA A 38 -17.898 -1.620 -4.806 1.00 0.00 N ATOM 481 CA ALA A 38 -16.686 -1.302 -5.551 1.00 0.00 C ATOM 482 C ALA A 38 -15.440 -1.702 -4.769 1.00 0.00 C ATOM 483 O ALA A 38 -15.267 -1.308 -3.615 1.00 0.00 O ATOM 484 CB ALA A 38 -16.647 0.181 -5.889 1.00 0.00 C ATOM 0 H ALA A 38 -17.800 -1.552 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.699 -1.874 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.736 0.404 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.515 0.439 -6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.662 0.764 -4.968 1.00 0.00 H new ATOM 490 N VAL A 39 -14.574 -2.486 -5.403 1.00 0.00 N ATOM 491 CA VAL A 39 -13.343 -2.938 -4.766 1.00 0.00 C ATOM 492 C VAL A 39 -12.166 -2.869 -5.733 1.00 0.00 C ATOM 493 O VAL A 39 -12.351 -2.805 -6.948 1.00 0.00 O ATOM 494 CB VAL A 39 -13.479 -4.380 -4.243 1.00 0.00 C ATOM 495 CG1 VAL A 39 -13.120 -5.380 -5.332 1.00 0.00 C ATOM 496 CG2 VAL A 39 -12.609 -4.585 -3.012 1.00 0.00 C ATOM 0 H VAL A 39 -14.702 -2.821 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 39 -13.158 -2.270 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.518 -4.547 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.222 -6.393 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.789 -5.248 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.091 -5.216 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.718 -5.610 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.566 -4.399 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.919 -3.894 -2.228 1.00 0.00 H new ATOM 506 N VAL A 40 -10.956 -2.883 -5.185 1.00 0.00 N ATOM 507 CA VAL A 40 -9.747 -2.823 -5.998 1.00 0.00 C ATOM 508 C VAL A 40 -8.746 -3.892 -5.575 1.00 0.00 C ATOM 509 O VAL A 40 -8.049 -3.743 -4.571 1.00 0.00 O ATOM 510 CB VAL A 40 -9.075 -1.440 -5.905 1.00 0.00 C ATOM 511 CG1 VAL A 40 -7.765 -1.430 -6.677 1.00 0.00 C ATOM 512 CG2 VAL A 40 -10.013 -0.357 -6.416 1.00 0.00 C ATOM 0 H VAL A 40 -10.786 -2.935 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.051 -3.002 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.853 -1.232 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.305 -0.445 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.091 -2.179 -6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.958 -1.659 -7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.522 0.614 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.268 -0.558 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.922 -0.350 -5.815 1.00 0.00 H new ATOM 522 N LYS A 41 -8.679 -4.971 -6.347 1.00 0.00 N ATOM 523 CA LYS A 41 -7.762 -6.066 -6.054 1.00 0.00 C ATOM 524 C LYS A 41 -6.604 -6.086 -7.046 1.00 0.00 C ATOM 525 O LYS A 41 -6.812 -6.195 -8.254 1.00 0.00 O ATOM 526 CB LYS A 41 -8.504 -7.404 -6.092 1.00 0.00 C ATOM 527 CG LYS A 41 -7.642 -8.564 -6.561 1.00 0.00 C ATOM 528 CD LYS A 41 -8.489 -9.706 -7.098 1.00 0.00 C ATOM 529 CE LYS A 41 -7.792 -11.047 -6.921 1.00 0.00 C ATOM 530 NZ LYS A 41 -8.193 -12.022 -7.973 1.00 0.00 N ATOM 0 H LYS A 41 -9.249 -5.111 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.358 -5.910 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.887 -7.626 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.367 -7.313 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.959 -8.220 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.030 -8.922 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.449 -9.723 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.698 -9.540 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.712 -10.902 -6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.031 -11.454 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.697 -12.923 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.220 -12.180 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.942 -11.645 -8.909 1.00 0.00 H new ATOM 544 N ALA A 42 -5.385 -5.981 -6.528 1.00 0.00 N ATOM 545 CA ALA A 42 -4.194 -5.991 -7.369 1.00 0.00 C ATOM 546 C ALA A 42 -3.822 -7.412 -7.778 1.00 0.00 C ATOM 547 O ALA A 42 -4.121 -7.847 -8.890 1.00 0.00 O ATOM 548 CB ALA A 42 -3.032 -5.327 -6.646 1.00 0.00 C ATOM 0 H ALA A 42 -5.196 -5.888 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.415 -5.426 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.149 -5.342 -7.286 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.292 -4.295 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.821 -5.868 -5.724 1.00 0.00 H new ATOM 554 N ARG A 43 -3.168 -8.132 -6.872 1.00 0.00 N ATOM 555 CA ARG A 43 -2.753 -9.503 -7.139 1.00 0.00 C ATOM 556 C ARG A 43 -3.744 -10.497 -6.540 1.00 0.00 C ATOM 557 O ARG A 43 -4.609 -11.025 -7.240 1.00 0.00 O ATOM 558 CB ARG A 43 -1.355 -9.756 -6.572 1.00 0.00 C ATOM 559 CG ARG A 43 -0.234 -9.254 -7.468 1.00 0.00 C ATOM 560 CD ARG A 43 1.020 -8.939 -6.668 1.00 0.00 C ATOM 561 NE ARG A 43 2.108 -8.466 -7.519 1.00 0.00 N ATOM 562 CZ ARG A 43 3.393 -8.613 -7.218 1.00 0.00 C ATOM 563 NH1 ARG A 43 3.749 -9.217 -6.093 1.00 0.00 N ATOM 564 NH2 ARG A 43 4.326 -8.157 -8.045 1.00 0.00 N ATOM 0 H ARG A 43 -2.914 -7.788 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.730 -9.645 -8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.274 -9.273 -5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.227 -10.826 -6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.006 -10.006 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.563 -8.360 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.791 -8.182 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.341 -9.832 -6.131 1.00 0.00 H new ATOM 0 HE ARG A 43 1.868 -7.997 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.035 -9.570 -5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.737 -9.328 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.056 -7.693 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.313 -8.270 -7.813 1.00 0.00 H new ATOM 578 N ASP A 44 -3.611 -10.748 -5.242 1.00 0.00 N ATOM 579 CA ASP A 44 -4.494 -11.678 -4.549 1.00 0.00 C ATOM 580 C ASP A 44 -5.283 -10.965 -3.455 1.00 0.00 C ATOM 581 O ASP A 44 -6.332 -11.441 -3.020 1.00 0.00 O ATOM 582 CB ASP A 44 -3.687 -12.828 -3.945 1.00 0.00 C ATOM 583 CG ASP A 44 -2.436 -12.347 -3.236 1.00 0.00 C ATOM 584 OD1 ASP A 44 -2.566 -11.592 -2.250 1.00 0.00 O ATOM 585 OD2 ASP A 44 -1.326 -12.726 -3.668 1.00 0.00 O ATOM 0 H ASP A 44 -2.900 -10.320 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.198 -12.082 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.312 -13.376 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.408 -13.526 -4.734 1.00 0.00 H new ATOM 590 N LYS A 45 -4.772 -9.821 -3.014 1.00 0.00 N ATOM 591 CA LYS A 45 -5.427 -9.041 -1.971 1.00 0.00 C ATOM 592 C LYS A 45 -6.436 -8.068 -2.572 1.00 0.00 C ATOM 593 O LYS A 45 -6.459 -7.852 -3.784 1.00 0.00 O ATOM 594 CB LYS A 45 -4.388 -8.272 -1.151 1.00 0.00 C ATOM 595 CG LYS A 45 -3.836 -9.061 0.023 1.00 0.00 C ATOM 596 CD LYS A 45 -3.319 -8.143 1.118 1.00 0.00 C ATOM 597 CE LYS A 45 -2.003 -7.491 0.723 1.00 0.00 C ATOM 598 NZ LYS A 45 -0.849 -8.416 0.904 1.00 0.00 N ATOM 0 H LYS A 45 -3.905 -9.413 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.959 -9.731 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.564 -7.983 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.839 -7.352 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.615 -9.707 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.030 -9.710 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.060 -7.372 1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.183 -8.712 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.054 -7.173 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.847 -6.594 1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.032 -7.866 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.973 -8.958 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.799 -9.071 0.098 1.00 0.00 H new ATOM 612 N TYR A 46 -7.268 -7.482 -1.718 1.00 0.00 N ATOM 613 CA TYR A 46 -8.280 -6.533 -2.166 1.00 0.00 C ATOM 614 C TYR A 46 -8.238 -5.258 -1.330 1.00 0.00 C ATOM 615 O TYR A 46 -7.915 -5.291 -0.142 1.00 0.00 O ATOM 616 CB TYR A 46 -9.672 -7.163 -2.085 1.00 0.00 C ATOM 617 CG TYR A 46 -9.814 -8.425 -2.907 1.00 0.00 C ATOM 618 CD1 TYR A 46 -9.041 -9.546 -2.632 1.00 0.00 C ATOM 619 CD2 TYR A 46 -10.720 -8.495 -3.958 1.00 0.00 C ATOM 620 CE1 TYR A 46 -9.166 -10.701 -3.381 1.00 0.00 C ATOM 621 CE2 TYR A 46 -10.853 -9.645 -4.710 1.00 0.00 C ATOM 622 CZ TYR A 46 -10.074 -10.746 -4.418 1.00 0.00 C ATOM 623 OH TYR A 46 -10.203 -11.893 -5.166 1.00 0.00 O ATOM 0 H TYR A 46 -7.261 -7.648 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.065 -6.274 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.899 -7.390 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.411 -6.436 -2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.330 -9.515 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.331 -7.635 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.556 -11.563 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.563 -9.683 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.886 -11.759 -5.856 1.00 0.00 H new ATOM 633 N ARG A 47 -8.568 -4.134 -1.959 1.00 0.00 N ATOM 634 CA ARG A 47 -8.568 -2.847 -1.275 1.00 0.00 C ATOM 635 C ARG A 47 -9.652 -1.932 -1.838 1.00 0.00 C ATOM 636 O ARG A 47 -9.919 -1.935 -3.040 1.00 0.00 O ATOM 637 CB ARG A 47 -7.200 -2.175 -1.407 1.00 0.00 C ATOM 638 CG ARG A 47 -6.058 -3.003 -0.839 1.00 0.00 C ATOM 639 CD ARG A 47 -5.831 -2.701 0.634 1.00 0.00 C ATOM 640 NE ARG A 47 -4.767 -3.525 1.203 1.00 0.00 N ATOM 641 CZ ARG A 47 -3.508 -3.119 1.322 1.00 0.00 C ATOM 642 NH1 ARG A 47 -3.156 -1.908 0.914 1.00 0.00 N ATOM 643 NH2 ARG A 47 -2.597 -3.927 1.851 1.00 0.00 N ATOM 0 H ARG A 47 -8.839 -4.089 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.778 -3.025 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.003 -1.974 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.227 -1.211 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.278 -4.063 -0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.145 -2.798 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.577 -1.648 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.756 -2.871 1.186 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.004 -4.463 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.853 -1.284 0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.188 -1.600 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.864 -4.860 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.630 -3.615 1.942 1.00 0.00 H new ATOM 657 N HIS A 48 -10.273 -1.150 -0.961 1.00 0.00 N ATOM 658 CA HIS A 48 -11.328 -0.230 -1.370 1.00 0.00 C ATOM 659 C HIS A 48 -10.838 0.703 -2.473 1.00 0.00 C ATOM 660 O HIS A 48 -9.638 0.871 -2.689 1.00 0.00 O ATOM 661 CB HIS A 48 -11.814 0.587 -0.173 1.00 0.00 C ATOM 662 CG HIS A 48 -12.924 -0.068 0.590 1.00 0.00 C ATOM 663 ND1 HIS A 48 -13.003 -0.052 1.966 1.00 0.00 N ATOM 664 CD2 HIS A 48 -14.005 -0.759 0.160 1.00 0.00 C ATOM 665 CE1 HIS A 48 -14.084 -0.707 2.350 1.00 0.00 C ATOM 666 NE2 HIS A 48 -14.710 -1.146 1.273 1.00 0.00 N ATOM 0 H HIS A 48 -10.064 -1.135 0.037 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.159 -0.819 -1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.975 0.762 0.501 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.151 1.563 -0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.265 -0.967 -0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.402 -0.858 3.371 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.576 -1.685 1.269 1.00 0.00 H new ATOM 674 N PRO A 49 -11.787 1.323 -3.189 1.00 0.00 N ATOM 675 CA PRO A 49 -11.475 2.250 -4.282 1.00 0.00 C ATOM 676 C PRO A 49 -10.863 3.553 -3.781 1.00 0.00 C ATOM 677 O PRO A 49 -10.363 4.357 -4.567 1.00 0.00 O ATOM 678 CB PRO A 49 -12.840 2.512 -4.925 1.00 0.00 C ATOM 679 CG PRO A 49 -13.825 2.263 -3.836 1.00 0.00 C ATOM 680 CD PRO A 49 -13.237 1.170 -2.987 1.00 0.00 C ATOM 0 HA PRO A 49 -10.737 1.836 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.912 3.533 -5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.012 1.850 -5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.993 3.166 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.790 1.963 -4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.511 1.285 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.585 0.186 -3.301 1.00 0.00 H new ATOM 688 N GLU A 50 -10.906 3.755 -2.467 1.00 0.00 N ATOM 689 CA GLU A 50 -10.355 4.962 -1.862 1.00 0.00 C ATOM 690 C GLU A 50 -9.212 4.621 -0.911 1.00 0.00 C ATOM 691 O GLU A 50 -8.334 5.446 -0.655 1.00 0.00 O ATOM 692 CB GLU A 50 -11.447 5.727 -1.112 1.00 0.00 C ATOM 693 CG GLU A 50 -12.035 4.957 0.058 1.00 0.00 C ATOM 694 CD GLU A 50 -13.284 5.610 0.618 1.00 0.00 C ATOM 695 OE1 GLU A 50 -14.330 5.574 -0.064 1.00 0.00 O ATOM 696 OE2 GLU A 50 -13.215 6.157 1.739 1.00 0.00 O ATOM 0 H GLU A 50 -11.316 3.099 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.964 5.592 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.034 6.667 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.246 5.979 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.272 3.943 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.287 4.875 0.847 1.00 0.00 H new ATOM 703 N CYS A 51 -9.230 3.399 -0.388 1.00 0.00 N ATOM 704 CA CYS A 51 -8.197 2.947 0.536 1.00 0.00 C ATOM 705 C CYS A 51 -6.893 2.662 -0.202 1.00 0.00 C ATOM 706 O CYS A 51 -5.805 2.916 0.315 1.00 0.00 O ATOM 707 CB CYS A 51 -8.661 1.692 1.278 1.00 0.00 C ATOM 708 SG CYS A 51 -9.964 1.997 2.514 1.00 0.00 S ATOM 0 H CYS A 51 -9.949 2.704 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.018 3.743 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.028 0.968 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.803 1.239 1.775 1.00 0.00 H new ATOM 713 N PHE A 52 -7.010 2.133 -1.416 1.00 0.00 N ATOM 714 CA PHE A 52 -5.841 1.812 -2.226 1.00 0.00 C ATOM 715 C PHE A 52 -4.909 3.015 -2.336 1.00 0.00 C ATOM 716 O PHE A 52 -5.163 3.944 -3.102 1.00 0.00 O ATOM 717 CB PHE A 52 -6.271 1.358 -3.622 1.00 0.00 C ATOM 718 CG PHE A 52 -5.340 0.353 -4.239 1.00 0.00 C ATOM 719 CD1 PHE A 52 -4.953 -0.776 -3.535 1.00 0.00 C ATOM 720 CD2 PHE A 52 -4.852 0.538 -5.523 1.00 0.00 C ATOM 721 CE1 PHE A 52 -4.095 -1.701 -4.100 1.00 0.00 C ATOM 722 CE2 PHE A 52 -3.995 -0.384 -6.093 1.00 0.00 C ATOM 723 CZ PHE A 52 -3.617 -1.506 -5.381 1.00 0.00 C ATOM 0 H PHE A 52 -7.903 1.918 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.303 1.000 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.271 0.927 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.337 2.229 -4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.326 -0.935 -2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.145 1.413 -6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.799 -2.576 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.621 -0.228 -7.094 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.949 -2.229 -5.825 1.00 0.00 H new ATOM 733 N VAL A 53 -3.828 2.991 -1.562 1.00 0.00 N ATOM 734 CA VAL A 53 -2.857 4.078 -1.571 1.00 0.00 C ATOM 735 C VAL A 53 -1.498 3.606 -1.064 1.00 0.00 C ATOM 736 O VAL A 53 -1.341 2.455 -0.657 1.00 0.00 O ATOM 737 CB VAL A 53 -3.331 5.262 -0.708 1.00 0.00 C ATOM 738 CG1 VAL A 53 -4.696 5.748 -1.172 1.00 0.00 C ATOM 739 CG2 VAL A 53 -3.367 4.870 0.761 1.00 0.00 C ATOM 0 H VAL A 53 -3.603 2.230 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.761 4.408 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.621 6.081 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.015 6.585 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.633 6.071 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.419 4.937 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.704 5.719 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.054 4.035 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.368 4.575 1.083 1.00 0.00 H new ATOM 749 N CYS A 54 -0.519 4.504 -1.092 1.00 0.00 N ATOM 750 CA CYS A 54 0.828 4.180 -0.635 1.00 0.00 C ATOM 751 C CYS A 54 0.879 4.093 0.888 1.00 0.00 C ATOM 752 O CYS A 54 -0.041 4.533 1.576 1.00 0.00 O ATOM 753 CB CYS A 54 1.823 5.231 -1.130 1.00 0.00 C ATOM 754 SG CYS A 54 3.568 4.797 -0.842 1.00 0.00 S ATOM 0 H CYS A 54 -0.633 5.461 -1.426 1.00 0.00 H new ATOM 0 HA CYS A 54 1.101 3.208 -1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.670 5.386 -2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.609 6.179 -0.636 1.00 0.00 H new ATOM 759 N ALA A 55 1.962 3.522 1.406 1.00 0.00 N ATOM 760 CA ALA A 55 2.135 3.379 2.846 1.00 0.00 C ATOM 761 C ALA A 55 3.126 4.405 3.385 1.00 0.00 C ATOM 762 O ALA A 55 3.331 4.509 4.594 1.00 0.00 O ATOM 763 CB ALA A 55 2.595 1.969 3.185 1.00 0.00 C ATOM 0 H ALA A 55 2.732 3.151 0.850 1.00 0.00 H new ATOM 0 HA ALA A 55 1.171 3.559 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.720 1.877 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.849 1.251 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.546 1.768 2.691 1.00 0.00 H new ATOM 769 N ASP A 56 3.740 5.159 2.479 1.00 0.00 N ATOM 770 CA ASP A 56 4.711 6.177 2.864 1.00 0.00 C ATOM 771 C ASP A 56 4.143 7.577 2.651 1.00 0.00 C ATOM 772 O ASP A 56 4.336 8.469 3.478 1.00 0.00 O ATOM 773 CB ASP A 56 6.002 6.010 2.061 1.00 0.00 C ATOM 774 CG ASP A 56 7.056 5.226 2.818 1.00 0.00 C ATOM 775 OD1 ASP A 56 7.034 5.254 4.066 1.00 0.00 O ATOM 776 OD2 ASP A 56 7.904 4.585 2.161 1.00 0.00 O ATOM 0 H ASP A 56 3.583 5.084 1.474 1.00 0.00 H new ATOM 0 HA ASP A 56 4.932 6.051 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.780 5.502 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.398 6.993 1.806 1.00 0.00 H new ATOM 781 N CYS A 57 3.442 7.763 1.538 1.00 0.00 N ATOM 782 CA CYS A 57 2.847 9.054 1.215 1.00 0.00 C ATOM 783 C CYS A 57 1.327 8.947 1.132 1.00 0.00 C ATOM 784 O CYS A 57 0.621 9.953 1.175 1.00 0.00 O ATOM 785 CB CYS A 57 3.405 9.579 -0.110 1.00 0.00 C ATOM 786 SG CYS A 57 3.278 8.398 -1.491 1.00 0.00 S ATOM 0 H CYS A 57 3.272 7.035 0.844 1.00 0.00 H new ATOM 0 HA CYS A 57 3.102 9.753 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.875 10.493 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.452 9.847 0.030 1.00 0.00 H new ATOM 791 N ASN A 58 0.832 7.720 1.015 1.00 0.00 N ATOM 792 CA ASN A 58 -0.604 7.480 0.926 1.00 0.00 C ATOM 793 C ASN A 58 -1.165 8.017 -0.387 1.00 0.00 C ATOM 794 O ASN A 58 -2.210 8.670 -0.408 1.00 0.00 O ATOM 795 CB ASN A 58 -1.325 8.134 2.107 1.00 0.00 C ATOM 796 CG ASN A 58 -2.581 7.383 2.506 1.00 0.00 C ATOM 797 OD1 ASN A 58 -3.690 7.764 2.133 1.00 0.00 O ATOM 798 ND2 ASN A 58 -2.410 6.309 3.268 1.00 0.00 N ATOM 0 H ASN A 58 1.404 6.876 0.980 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.770 6.403 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.648 8.183 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.586 9.160 1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.217 5.763 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.471 6.030 3.553 1.00 0.00 H new ATOM 805 N LEU A 59 -0.465 7.739 -1.481 1.00 0.00 N ATOM 806 CA LEU A 59 -0.893 8.193 -2.800 1.00 0.00 C ATOM 807 C LEU A 59 -1.758 7.139 -3.484 1.00 0.00 C ATOM 808 O LEU A 59 -1.456 5.948 -3.437 1.00 0.00 O ATOM 809 CB LEU A 59 0.324 8.513 -3.670 1.00 0.00 C ATOM 810 CG LEU A 59 0.162 9.679 -4.647 1.00 0.00 C ATOM 811 CD1 LEU A 59 1.456 9.921 -5.407 1.00 0.00 C ATOM 812 CD2 LEU A 59 -0.984 9.410 -5.611 1.00 0.00 C ATOM 0 H LEU A 59 0.402 7.201 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.488 9.097 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.168 8.729 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.583 7.621 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.073 10.578 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.322 10.754 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.253 10.158 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.722 9.025 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.085 10.249 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.779 8.501 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.910 9.287 -5.050 1.00 0.00 H new ATOM 824 N ASN A 60 -2.835 7.588 -4.121 1.00 0.00 N ATOM 825 CA ASN A 60 -3.743 6.684 -4.817 1.00 0.00 C ATOM 826 C ASN A 60 -3.011 5.911 -5.910 1.00 0.00 C ATOM 827 O ASN A 60 -2.712 6.453 -6.975 1.00 0.00 O ATOM 828 CB ASN A 60 -4.909 7.467 -5.425 1.00 0.00 C ATOM 829 CG ASN A 60 -6.048 7.663 -4.443 1.00 0.00 C ATOM 830 OD1 ASN A 60 -6.267 8.766 -3.941 1.00 0.00 O ATOM 831 ND2 ASN A 60 -6.780 6.591 -4.165 1.00 0.00 N ATOM 0 H ASN A 60 -3.100 8.572 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.132 5.970 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.553 8.440 -5.763 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.278 6.940 -6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.560 6.662 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.562 5.697 -4.605 1.00 0.00 H new ATOM 838 N LEU A 61 -2.724 4.643 -5.639 1.00 0.00 N ATOM 839 CA LEU A 61 -2.027 3.794 -6.598 1.00 0.00 C ATOM 840 C LEU A 61 -2.998 3.226 -7.629 1.00 0.00 C ATOM 841 O LEU A 61 -2.591 2.782 -8.703 1.00 0.00 O ATOM 842 CB LEU A 61 -1.310 2.653 -5.874 1.00 0.00 C ATOM 843 CG LEU A 61 -0.482 3.050 -4.651 1.00 0.00 C ATOM 844 CD1 LEU A 61 0.043 1.814 -3.938 1.00 0.00 C ATOM 845 CD2 LEU A 61 0.667 3.962 -5.058 1.00 0.00 C ATOM 0 H LEU A 61 -2.963 4.180 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.290 4.406 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.056 1.922 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.653 2.153 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.126 3.596 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.630 2.116 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.795 1.198 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.672 1.240 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.245 4.235 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.311 3.442 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.269 4.864 -5.523 1.00 0.00 H new ATOM 857 N LYS A 62 -4.284 3.245 -7.296 1.00 0.00 N ATOM 858 CA LYS A 62 -5.315 2.736 -8.193 1.00 0.00 C ATOM 859 C LYS A 62 -4.949 3.004 -9.650 1.00 0.00 C ATOM 860 O LYS A 62 -4.741 2.073 -10.427 1.00 0.00 O ATOM 861 CB LYS A 62 -6.665 3.379 -7.869 1.00 0.00 C ATOM 862 CG LYS A 62 -7.703 3.198 -8.962 1.00 0.00 C ATOM 863 CD LYS A 62 -8.299 1.801 -8.940 1.00 0.00 C ATOM 864 CE LYS A 62 -8.722 1.353 -10.331 1.00 0.00 C ATOM 865 NZ LYS A 62 -10.123 1.752 -10.640 1.00 0.00 N ATOM 0 H LYS A 62 -4.638 3.608 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.389 1.658 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.048 2.952 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.517 4.444 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.496 3.935 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.246 3.384 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.569 1.099 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.161 1.782 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.049 1.785 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.627 0.270 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.373 1.429 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.768 1.319 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.208 2.787 -10.592 1.00 0.00 H new ATOM 879 N GLN A 63 -4.872 4.281 -10.010 1.00 0.00 N ATOM 880 CA GLN A 63 -4.530 4.670 -11.374 1.00 0.00 C ATOM 881 C GLN A 63 -3.026 4.573 -11.607 1.00 0.00 C ATOM 882 O GLN A 63 -2.578 4.083 -12.643 1.00 0.00 O ATOM 883 CB GLN A 63 -5.012 6.094 -11.656 1.00 0.00 C ATOM 884 CG GLN A 63 -4.629 7.091 -10.574 1.00 0.00 C ATOM 885 CD GLN A 63 -4.919 8.525 -10.972 1.00 0.00 C ATOM 886 OE1 GLN A 63 -4.004 9.325 -11.166 1.00 0.00 O ATOM 887 NE2 GLN A 63 -6.199 8.857 -11.097 1.00 0.00 N ATOM 0 H GLN A 63 -5.041 5.063 -9.378 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.029 3.983 -12.057 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.599 6.427 -12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.097 6.087 -11.765 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.172 6.855 -9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.567 6.988 -10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.925 8.161 -10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.456 9.808 -11.364 1.00 0.00 H new ATOM 896 N LYS A 64 -2.251 5.044 -10.636 1.00 0.00 N ATOM 897 CA LYS A 64 -0.796 5.010 -10.734 1.00 0.00 C ATOM 898 C LYS A 64 -0.279 3.577 -10.660 1.00 0.00 C ATOM 899 O LYS A 64 -1.055 2.634 -10.513 1.00 0.00 O ATOM 900 CB LYS A 64 -0.170 5.848 -9.617 1.00 0.00 C ATOM 901 CG LYS A 64 -0.501 7.327 -9.708 1.00 0.00 C ATOM 902 CD LYS A 64 0.275 8.137 -8.682 1.00 0.00 C ATOM 903 CE LYS A 64 0.021 9.628 -8.841 1.00 0.00 C ATOM 904 NZ LYS A 64 0.513 10.138 -10.150 1.00 0.00 N ATOM 0 H LYS A 64 -2.606 5.454 -9.772 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.511 5.430 -11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.510 5.467 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.913 5.724 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.271 7.691 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.570 7.472 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.010 7.823 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.341 7.935 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.047 9.826 -8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.513 10.168 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.542 11.177 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.469 9.769 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.127 9.825 -10.907 1.00 0.00 H new ATOM 918 N GLY A 65 1.037 3.421 -10.762 1.00 0.00 N ATOM 919 CA GLY A 65 1.635 2.100 -10.703 1.00 0.00 C ATOM 920 C GLY A 65 1.787 1.596 -9.281 1.00 0.00 C ATOM 921 O GLY A 65 2.558 2.150 -8.498 1.00 0.00 O ATOM 0 H GLY A 65 1.700 4.186 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.020 1.401 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.613 2.126 -11.183 1.00 0.00 H new ATOM 925 N TYR A 66 1.049 0.543 -8.947 1.00 0.00 N ATOM 926 CA TYR A 66 1.102 -0.034 -7.609 1.00 0.00 C ATOM 927 C TYR A 66 2.325 -0.931 -7.451 1.00 0.00 C ATOM 928 O TYR A 66 2.882 -1.421 -8.433 1.00 0.00 O ATOM 929 CB TYR A 66 -0.171 -0.833 -7.325 1.00 0.00 C ATOM 930 CG TYR A 66 -0.202 -2.184 -8.002 1.00 0.00 C ATOM 931 CD1 TYR A 66 -0.661 -2.318 -9.307 1.00 0.00 C ATOM 932 CD2 TYR A 66 0.227 -3.326 -7.338 1.00 0.00 C ATOM 933 CE1 TYR A 66 -0.691 -3.551 -9.930 1.00 0.00 C ATOM 934 CE2 TYR A 66 0.201 -4.563 -7.954 1.00 0.00 C ATOM 935 CZ TYR A 66 -0.259 -4.670 -9.250 1.00 0.00 C ATOM 936 OH TYR A 66 -0.287 -5.900 -9.866 1.00 0.00 O ATOM 0 H TYR A 66 0.407 0.072 -9.584 1.00 0.00 H new ATOM 0 HA TYR A 66 1.178 0.783 -6.891 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.269 -0.973 -6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.034 -0.253 -7.651 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.000 -1.444 -9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.587 -3.246 -6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.051 -3.638 -10.945 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.539 -5.441 -7.424 1.00 0.00 H new ATOM 0 HH TYR A 66 0.052 -6.582 -9.250 1.00 0.00 H new ATOM 946 N PHE A 67 2.738 -1.143 -6.205 1.00 0.00 N ATOM 947 CA PHE A 67 3.896 -1.981 -5.916 1.00 0.00 C ATOM 948 C PHE A 67 3.644 -2.851 -4.688 1.00 0.00 C ATOM 949 O PHE A 67 2.812 -2.523 -3.841 1.00 0.00 O ATOM 950 CB PHE A 67 5.137 -1.114 -5.695 1.00 0.00 C ATOM 951 CG PHE A 67 5.863 -0.771 -6.965 1.00 0.00 C ATOM 952 CD1 PHE A 67 5.254 0.006 -7.938 1.00 0.00 C ATOM 953 CD2 PHE A 67 7.152 -1.227 -7.186 1.00 0.00 C ATOM 954 CE1 PHE A 67 5.919 0.323 -9.107 1.00 0.00 C ATOM 955 CE2 PHE A 67 7.822 -0.912 -8.353 1.00 0.00 C ATOM 956 CZ PHE A 67 7.205 -0.137 -9.316 1.00 0.00 C ATOM 0 H PHE A 67 2.288 -0.746 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 67 4.065 -2.633 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.842 -0.192 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.820 -1.636 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.249 0.368 -7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.639 -1.835 -6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.434 0.930 -9.857 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.828 -1.272 -8.512 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.726 0.109 -10.229 1.00 0.00 H new ATOM 966 N PHE A 68 4.368 -3.961 -4.598 1.00 0.00 N ATOM 967 CA PHE A 68 4.223 -4.880 -3.475 1.00 0.00 C ATOM 968 C PHE A 68 5.572 -5.148 -2.814 1.00 0.00 C ATOM 969 O PHE A 68 6.387 -5.913 -3.327 1.00 0.00 O ATOM 970 CB PHE A 68 3.602 -6.198 -3.944 1.00 0.00 C ATOM 971 CG PHE A 68 2.102 -6.215 -3.867 1.00 0.00 C ATOM 972 CD1 PHE A 68 1.459 -6.499 -2.674 1.00 0.00 C ATOM 973 CD2 PHE A 68 1.335 -5.946 -4.990 1.00 0.00 C ATOM 974 CE1 PHE A 68 0.079 -6.515 -2.599 1.00 0.00 C ATOM 975 CE2 PHE A 68 -0.045 -5.960 -4.922 1.00 0.00 C ATOM 976 CZ PHE A 68 -0.674 -6.246 -3.725 1.00 0.00 C ATOM 0 H PHE A 68 5.061 -4.246 -5.289 1.00 0.00 H new ATOM 0 HA PHE A 68 3.564 -4.416 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.907 -6.388 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.998 -7.013 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.043 -6.711 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.821 -5.723 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.409 -6.737 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.632 -5.748 -5.804 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.753 -6.259 -3.670 1.00 0.00 H new ATOM 986 N VAL A 69 5.800 -4.510 -1.670 1.00 0.00 N ATOM 987 CA VAL A 69 7.049 -4.678 -0.937 1.00 0.00 C ATOM 988 C VAL A 69 6.796 -5.246 0.456 1.00 0.00 C ATOM 989 O VAL A 69 6.378 -4.527 1.363 1.00 0.00 O ATOM 990 CB VAL A 69 7.806 -3.344 -0.805 1.00 0.00 C ATOM 991 CG1 VAL A 69 9.083 -3.531 0.000 1.00 0.00 C ATOM 992 CG2 VAL A 69 8.113 -2.768 -2.179 1.00 0.00 C ATOM 0 H VAL A 69 5.136 -3.872 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 69 7.659 -5.378 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 69 7.170 -2.637 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.604 -2.577 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.835 -3.896 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.727 -4.254 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.648 -1.825 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.730 -3.471 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.181 -2.594 -2.717 1.00 0.00 H new ATOM 1002 N GLU A 70 7.054 -6.540 0.617 1.00 0.00 N ATOM 1003 CA GLU A 70 6.854 -7.204 1.899 1.00 0.00 C ATOM 1004 C GLU A 70 5.375 -7.228 2.275 1.00 0.00 C ATOM 1005 O GLU A 70 5.018 -7.086 3.444 1.00 0.00 O ATOM 1006 CB GLU A 70 7.659 -6.501 2.994 1.00 0.00 C ATOM 1007 CG GLU A 70 9.147 -6.420 2.699 1.00 0.00 C ATOM 1008 CD GLU A 70 9.882 -5.499 3.653 1.00 0.00 C ATOM 1009 OE1 GLU A 70 9.695 -4.268 3.550 1.00 0.00 O ATOM 1010 OE2 GLU A 70 10.644 -6.007 4.502 1.00 0.00 O ATOM 0 H GLU A 70 7.402 -7.149 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 70 7.204 -8.232 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.269 -5.492 3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.512 -7.029 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.580 -7.419 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.292 -6.069 1.677 1.00 0.00 H new ATOM 1017 N GLY A 71 4.519 -7.406 1.274 1.00 0.00 N ATOM 1018 CA GLY A 71 3.089 -7.444 1.519 1.00 0.00 C ATOM 1019 C GLY A 71 2.454 -6.070 1.457 1.00 0.00 C ATOM 1020 O GLY A 71 1.313 -5.926 1.018 1.00 0.00 O ATOM 0 H GLY A 71 4.790 -7.525 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.615 -8.094 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.903 -7.883 2.499 1.00 0.00 H new ATOM 1024 N GLU A 72 3.193 -5.057 1.898 1.00 0.00 N ATOM 1025 CA GLU A 72 2.693 -3.687 1.893 1.00 0.00 C ATOM 1026 C GLU A 72 2.756 -3.090 0.490 1.00 0.00 C ATOM 1027 O GLU A 72 3.514 -3.557 -0.362 1.00 0.00 O ATOM 1028 CB GLU A 72 3.499 -2.822 2.864 1.00 0.00 C ATOM 1029 CG GLU A 72 2.790 -1.541 3.270 1.00 0.00 C ATOM 1030 CD GLU A 72 1.329 -1.765 3.608 1.00 0.00 C ATOM 1031 OE1 GLU A 72 0.494 -1.735 2.680 1.00 0.00 O ATOM 1032 OE2 GLU A 72 1.021 -1.970 4.801 1.00 0.00 O ATOM 0 H GLU A 72 4.140 -5.159 2.263 1.00 0.00 H new ATOM 0 HA GLU A 72 1.652 -3.707 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.720 -3.404 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.454 -2.569 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.296 -1.108 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.865 -0.816 2.459 1.00 0.00 H new ATOM 1039 N LEU A 73 1.954 -2.057 0.256 1.00 0.00 N ATOM 1040 CA LEU A 73 1.918 -1.396 -1.044 1.00 0.00 C ATOM 1041 C LEU A 73 2.711 -0.093 -1.014 1.00 0.00 C ATOM 1042 O LEU A 73 2.992 0.450 0.055 1.00 0.00 O ATOM 1043 CB LEU A 73 0.471 -1.117 -1.455 1.00 0.00 C ATOM 1044 CG LEU A 73 -0.217 -2.210 -2.274 1.00 0.00 C ATOM 1045 CD1 LEU A 73 -1.701 -2.266 -1.949 1.00 0.00 C ATOM 1046 CD2 LEU A 73 -0.003 -1.975 -3.762 1.00 0.00 C ATOM 0 H LEU A 73 1.320 -1.659 0.949 1.00 0.00 H new ATOM 0 HA LEU A 73 2.376 -2.061 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.115 -0.944 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.450 -0.192 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 73 0.228 -3.170 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.174 -3.049 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.833 -2.483 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.161 -1.306 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.499 -2.762 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.421 -1.008 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.064 -1.987 -3.982 1.00 0.00 H new ATOM 1058 N TYR A 74 3.066 0.404 -2.193 1.00 0.00 N ATOM 1059 CA TYR A 74 3.827 1.643 -2.303 1.00 0.00 C ATOM 1060 C TYR A 74 3.750 2.206 -3.719 1.00 0.00 C ATOM 1061 O TYR A 74 3.489 1.477 -4.676 1.00 0.00 O ATOM 1062 CB TYR A 74 5.287 1.406 -1.915 1.00 0.00 C ATOM 1063 CG TYR A 74 5.489 1.163 -0.436 1.00 0.00 C ATOM 1064 CD1 TYR A 74 5.552 2.224 0.460 1.00 0.00 C ATOM 1065 CD2 TYR A 74 5.616 -0.126 0.066 1.00 0.00 C ATOM 1066 CE1 TYR A 74 5.737 2.007 1.811 1.00 0.00 C ATOM 1067 CE2 TYR A 74 5.799 -0.353 1.416 1.00 0.00 C ATOM 1068 CZ TYR A 74 5.860 0.717 2.285 1.00 0.00 C ATOM 1069 OH TYR A 74 6.043 0.497 3.631 1.00 0.00 O ATOM 0 H TYR A 74 2.839 -0.032 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 74 3.390 2.370 -1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.667 0.549 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.879 2.270 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.455 3.235 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.571 -0.966 -0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.785 2.843 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.894 -1.362 1.789 1.00 0.00 H new ATOM 0 HH TYR A 74 5.872 -0.446 3.834 1.00 0.00 H new ATOM 1079 N CYS A 75 3.981 3.508 -3.844 1.00 0.00 N ATOM 1080 CA CYS A 75 3.939 4.172 -5.141 1.00 0.00 C ATOM 1081 C CYS A 75 5.193 3.860 -5.953 1.00 0.00 C ATOM 1082 O CYS A 75 6.141 3.264 -5.443 1.00 0.00 O ATOM 1083 CB CYS A 75 3.799 5.685 -4.960 1.00 0.00 C ATOM 1084 SG CYS A 75 5.113 6.437 -3.947 1.00 0.00 S ATOM 0 H CYS A 75 4.200 4.125 -3.062 1.00 0.00 H new ATOM 0 HA CYS A 75 3.072 3.796 -5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.796 6.159 -5.942 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.834 5.897 -4.500 1.00 0.00 H new ATOM 1089 N GLU A 76 5.189 4.268 -7.218 1.00 0.00 N ATOM 1090 CA GLU A 76 6.327 4.031 -8.099 1.00 0.00 C ATOM 1091 C GLU A 76 7.600 4.639 -7.519 1.00 0.00 C ATOM 1092 O GLU A 76 8.690 4.084 -7.665 1.00 0.00 O ATOM 1093 CB GLU A 76 6.055 4.617 -9.487 1.00 0.00 C ATOM 1094 CG GLU A 76 6.868 3.964 -10.592 1.00 0.00 C ATOM 1095 CD GLU A 76 6.844 4.761 -11.882 1.00 0.00 C ATOM 1096 OE1 GLU A 76 5.741 4.977 -12.425 1.00 0.00 O ATOM 1097 OE2 GLU A 76 7.929 5.168 -12.349 1.00 0.00 O ATOM 0 H GLU A 76 4.412 4.763 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 76 6.468 2.954 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.995 4.511 -9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.272 5.685 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.900 3.849 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.480 2.963 -10.780 1.00 0.00 H new ATOM 1104 N THR A 77 7.456 5.785 -6.861 1.00 0.00 N ATOM 1105 CA THR A 77 8.593 6.470 -6.260 1.00 0.00 C ATOM 1106 C THR A 77 9.149 5.682 -5.079 1.00 0.00 C ATOM 1107 O THR A 77 10.236 5.109 -5.158 1.00 0.00 O ATOM 1108 CB THR A 77 8.210 7.884 -5.784 1.00 0.00 C ATOM 1109 OG1 THR A 77 7.687 8.644 -6.879 1.00 0.00 O ATOM 1110 CG2 THR A 77 9.414 8.600 -5.192 1.00 0.00 C ATOM 0 H THR A 77 6.562 6.258 -6.731 1.00 0.00 H new ATOM 0 HA THR A 77 9.358 6.549 -7.033 1.00 0.00 H new ATOM 0 HB THR A 77 7.447 7.790 -5.011 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.444 9.541 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 9.119 9.596 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.792 8.034 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.195 8.684 -5.948 1.00 0.00 H new ATOM 1118 N HIS A 78 8.395 5.656 -3.984 1.00 0.00 N ATOM 1119 CA HIS A 78 8.812 4.936 -2.786 1.00 0.00 C ATOM 1120 C HIS A 78 9.123 3.478 -3.109 1.00 0.00 C ATOM 1121 O HIS A 78 10.214 2.987 -2.821 1.00 0.00 O ATOM 1122 CB HIS A 78 7.724 5.013 -1.714 1.00 0.00 C ATOM 1123 CG HIS A 78 7.694 6.320 -0.984 1.00 0.00 C ATOM 1124 ND1 HIS A 78 6.540 7.052 -0.799 1.00 0.00 N ATOM 1125 CD2 HIS A 78 8.684 7.026 -0.390 1.00 0.00 C ATOM 1126 CE1 HIS A 78 6.822 8.152 -0.124 1.00 0.00 C ATOM 1127 NE2 HIS A 78 8.117 8.160 0.137 1.00 0.00 N ATOM 0 H HIS A 78 7.493 6.125 -3.902 1.00 0.00 H new ATOM 0 HA HIS A 78 9.719 5.407 -2.406 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.753 4.844 -2.180 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.876 4.208 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.727 6.749 -0.340 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.114 8.915 0.165 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.615 8.890 0.647 1.00 0.00 H new ATOM 1135 N ALA A 79 8.156 2.790 -3.707 1.00 0.00 N ATOM 1136 CA ALA A 79 8.326 1.389 -4.070 1.00 0.00 C ATOM 1137 C ALA A 79 9.675 1.157 -4.743 1.00 0.00 C ATOM 1138 O ALA A 79 10.487 0.362 -4.269 1.00 0.00 O ATOM 1139 CB ALA A 79 7.195 0.938 -4.982 1.00 0.00 C ATOM 0 H ALA A 79 7.246 3.181 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 79 8.298 0.797 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.336 -0.110 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.242 1.058 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.196 1.543 -5.889 1.00 0.00 H new ATOM 1145 N ARG A 80 9.907 1.854 -5.850 1.00 0.00 N ATOM 1146 CA ARG A 80 11.156 1.722 -6.589 1.00 0.00 C ATOM 1147 C ARG A 80 12.354 1.767 -5.645 1.00 0.00 C ATOM 1148 O ARG A 80 13.299 0.993 -5.787 1.00 0.00 O ATOM 1149 CB ARG A 80 11.275 2.832 -7.635 1.00 0.00 C ATOM 1150 CG ARG A 80 10.633 2.485 -8.968 1.00 0.00 C ATOM 1151 CD ARG A 80 10.983 3.507 -10.038 1.00 0.00 C ATOM 1152 NE ARG A 80 12.339 3.322 -10.548 1.00 0.00 N ATOM 1153 CZ ARG A 80 12.674 3.493 -11.822 1.00 0.00 C ATOM 1154 NH1 ARG A 80 11.757 3.852 -12.710 1.00 0.00 N ATOM 1155 NH2 ARG A 80 13.930 3.306 -12.210 1.00 0.00 N ATOM 0 H ARG A 80 9.246 2.516 -6.255 1.00 0.00 H new ATOM 0 HA ARG A 80 11.149 0.756 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.813 3.739 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.330 3.056 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.964 1.496 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.550 2.436 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.272 3.429 -10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.884 4.511 -9.626 1.00 0.00 H new ATOM 0 HE ARG A 80 13.068 3.047 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.791 3.998 -12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.017 3.983 -13.688 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.638 3.031 -11.530 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.186 3.437 -13.188 1.00 0.00 H new ATOM 1169 N ALA A 81 12.306 2.681 -4.681 1.00 0.00 N ATOM 1170 CA ALA A 81 13.385 2.826 -3.712 1.00 0.00 C ATOM 1171 C ALA A 81 13.552 1.559 -2.881 1.00 0.00 C ATOM 1172 O ALA A 81 14.660 1.220 -2.464 1.00 0.00 O ATOM 1173 CB ALA A 81 13.126 4.023 -2.808 1.00 0.00 C ATOM 0 H ALA A 81 11.531 3.332 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 81 14.312 2.993 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.940 4.119 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.066 4.929 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.186 3.880 -2.275 1.00 0.00 H new ATOM 1179 N ARG A 82 12.445 0.864 -2.642 1.00 0.00 N ATOM 1180 CA ARG A 82 12.469 -0.366 -1.859 1.00 0.00 C ATOM 1181 C ARG A 82 12.884 -1.553 -2.722 1.00 0.00 C ATOM 1182 O ARG A 82 13.917 -2.180 -2.481 1.00 0.00 O ATOM 1183 CB ARG A 82 11.094 -0.628 -1.240 1.00 0.00 C ATOM 1184 CG ARG A 82 10.573 0.528 -0.402 1.00 0.00 C ATOM 1185 CD ARG A 82 9.055 0.515 -0.318 1.00 0.00 C ATOM 1186 NE ARG A 82 8.572 -0.373 0.735 1.00 0.00 N ATOM 1187 CZ ARG A 82 8.819 -0.184 2.027 1.00 0.00 C ATOM 1188 NH1 ARG A 82 9.539 0.857 2.422 1.00 0.00 N ATOM 1189 NH2 ARG A 82 8.345 -1.037 2.926 1.00 0.00 N ATOM 0 H ARG A 82 11.520 1.131 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 82 13.203 -0.245 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.381 -0.839 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.149 -1.521 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.995 0.470 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.907 1.471 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.694 1.527 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.642 0.199 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 82 8.014 -1.183 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.905 1.515 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.727 1.000 3.414 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.790 -1.839 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.535 -0.891 3.917 1.00 0.00 H new ATOM 1203 N THR A 83 12.073 -1.858 -3.731 1.00 0.00 N ATOM 1204 CA THR A 83 12.355 -2.970 -4.629 1.00 0.00 C ATOM 1205 C THR A 83 13.601 -2.699 -5.465 1.00 0.00 C ATOM 1206 O THR A 83 14.405 -3.599 -5.708 1.00 0.00 O ATOM 1207 CB THR A 83 11.168 -3.246 -5.571 1.00 0.00 C ATOM 1208 OG1 THR A 83 11.480 -4.337 -6.445 1.00 0.00 O ATOM 1209 CG2 THR A 83 10.832 -2.011 -6.394 1.00 0.00 C ATOM 0 H THR A 83 11.215 -1.350 -3.946 1.00 0.00 H new ATOM 0 HA THR A 83 12.524 -3.847 -4.004 1.00 0.00 H new ATOM 0 HB THR A 83 10.302 -3.505 -4.962 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.750 -4.990 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.991 -2.230 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.567 -1.190 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.697 -1.727 -6.993 1.00 0.00 H new ATOM 1217 N SER A 84 13.755 -1.454 -5.903 1.00 0.00 N ATOM 1218 CA SER A 84 14.902 -1.065 -6.715 1.00 0.00 C ATOM 1219 C SER A 84 15.062 -1.999 -7.911 1.00 0.00 C ATOM 1220 O SER A 84 16.176 -2.362 -8.285 1.00 0.00 O ATOM 1221 CB SER A 84 16.178 -1.076 -5.872 1.00 0.00 C ATOM 1222 OG SER A 84 16.694 -2.390 -5.744 1.00 0.00 O ATOM 0 H SER A 84 13.100 -0.697 -5.709 1.00 0.00 H new ATOM 0 HA SER A 84 14.728 -0.055 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.927 -0.431 -6.332 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.968 -0.667 -4.884 1.00 0.00 H new ATOM 0 HG SER A 84 15.963 -3.038 -5.822 1.00 0.00 H new ATOM 1228 N GLY A 85 13.937 -2.384 -8.508 1.00 0.00 N ATOM 1229 CA GLY A 85 13.973 -3.272 -9.655 1.00 0.00 C ATOM 1230 C GLY A 85 13.564 -4.689 -9.305 1.00 0.00 C ATOM 1231 O GLY A 85 14.390 -5.521 -8.929 1.00 0.00 O ATOM 0 H GLY A 85 13.002 -2.097 -8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.310 -2.887 -10.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.980 -3.280 -10.072 1.00 0.00 H new ATOM 1235 N PRO A 86 12.261 -4.980 -9.425 1.00 0.00 N ATOM 1236 CA PRO A 86 11.714 -6.306 -9.121 1.00 0.00 C ATOM 1237 C PRO A 86 12.143 -7.357 -10.140 1.00 0.00 C ATOM 1238 O PRO A 86 11.983 -7.167 -11.346 1.00 0.00 O ATOM 1239 CB PRO A 86 10.200 -6.088 -9.183 1.00 0.00 C ATOM 1240 CG PRO A 86 10.022 -4.919 -10.089 1.00 0.00 C ATOM 1241 CD PRO A 86 11.219 -4.037 -9.867 1.00 0.00 C ATOM 0 HA PRO A 86 12.065 -6.681 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.689 -6.970 -9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.788 -5.888 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.960 -5.238 -11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.098 -4.387 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.509 -3.516 -10.780 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.022 -3.274 -9.114 1.00 0.00 H new ATOM 1249 N SER A 87 12.687 -8.464 -9.647 1.00 0.00 N ATOM 1250 CA SER A 87 13.142 -9.544 -10.515 1.00 0.00 C ATOM 1251 C SER A 87 11.957 -10.304 -11.103 1.00 0.00 C ATOM 1252 O SER A 87 11.913 -10.576 -12.303 1.00 0.00 O ATOM 1253 CB SER A 87 14.044 -10.505 -9.739 1.00 0.00 C ATOM 1254 OG SER A 87 15.197 -9.841 -9.251 1.00 0.00 O ATOM 0 H SER A 87 12.824 -8.637 -8.651 1.00 0.00 H new ATOM 0 HA SER A 87 13.711 -9.104 -11.333 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.489 -10.937 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.342 -11.331 -10.385 1.00 0.00 H new ATOM 0 HG SER A 87 15.756 -10.477 -8.757 1.00 0.00 H new ATOM 1260 N SER A 88 10.997 -10.644 -10.249 1.00 0.00 N ATOM 1261 CA SER A 88 9.812 -11.376 -10.682 1.00 0.00 C ATOM 1262 C SER A 88 9.235 -10.769 -11.958 1.00 0.00 C ATOM 1263 O SER A 88 9.060 -11.458 -12.962 1.00 0.00 O ATOM 1264 CB SER A 88 8.753 -11.373 -9.578 1.00 0.00 C ATOM 1265 OG SER A 88 9.134 -12.215 -8.504 1.00 0.00 O ATOM 0 H SER A 88 11.016 -10.424 -9.253 1.00 0.00 H new ATOM 0 HA SER A 88 10.106 -12.405 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.607 -10.356 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.798 -11.706 -9.985 1.00 0.00 H new ATOM 0 HG SER A 88 8.442 -12.194 -7.811 1.00 0.00 H new ATOM 1271 N GLY A 89 8.941 -9.474 -11.909 1.00 0.00 N ATOM 1272 CA GLY A 89 8.386 -8.795 -13.066 1.00 0.00 C ATOM 1273 C GLY A 89 9.378 -8.692 -14.208 1.00 0.00 C ATOM 1274 O GLY A 89 9.010 -8.211 -15.279 1.00 0.00 O ATOM 0 H GLY A 89 9.077 -8.882 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.499 -9.329 -13.406 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.064 -7.795 -12.777 1.00 0.00 H new TER 1278 GLY A 89 HETATM 1279 ZN ZN A 201 -11.277 0.256 3.075 1.00 0.00 ZN HETATM 1280 ZN ZN A 401 4.708 6.683 -1.689 1.00 0.00 ZN