USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 505 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 Set 1.1: A 38 CYS SG : rot -155:sc= 1.03 USER MOD Set 1.2: A 62 CYS SG : rot 180:sc= 0.0126 USER MOD Set 2.1: A 8 CYS SG : rot 140:sc= 0.0853 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -1.73 K(o=-1.6,f=-4!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0548 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.399 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 11 CYS SG : rot 180:sc= -2.05 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00556) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -46:sc= 0.0973 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.0206 USER MOD Single : A 27 GLN : amide:sc= 0.579 K(o=0.58,f=-0.11) USER MOD Single : A 29 SER OG : rot -150:sc= -0.0404 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -2.21! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 39:sc= 0.0406 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 1.25 (180deg=-0.233) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.658 USER MOD Single : A 60 GLN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -167:sc= -0.0567 (180deg=-0.316) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -64:sc= 1 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.726 -13.254 17.451 1.00 0.00 N ATOM 2 CA GLY A 1 12.172 -14.538 17.017 1.00 0.00 C ATOM 3 C GLY A 1 10.659 -14.492 17.038 1.00 0.00 C ATOM 4 O GLY A 1 10.083 -13.865 17.928 1.00 0.00 O ATOM 0 H1 GLY A 1 13.523 -13.421 18.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.058 -12.721 16.622 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.991 -12.707 17.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.521 -14.771 16.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.527 -15.335 17.671 1.00 0.00 H new ATOM 8 N SER A 2 10.010 -15.123 16.057 1.00 0.00 N ATOM 9 CA SER A 2 8.561 -15.159 15.939 1.00 0.00 C ATOM 10 C SER A 2 8.149 -16.339 15.051 1.00 0.00 C ATOM 11 O SER A 2 8.996 -17.022 14.469 1.00 0.00 O ATOM 12 CB SER A 2 8.111 -13.800 15.373 1.00 0.00 C ATOM 13 OG SER A 2 6.716 -13.578 15.465 1.00 0.00 O ATOM 0 H SER A 2 10.490 -15.630 15.313 1.00 0.00 H new ATOM 0 HA SER A 2 8.076 -15.313 16.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.632 -13.004 15.905 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.412 -13.734 14.327 1.00 0.00 H new ATOM 0 HG SER A 2 6.499 -12.699 15.090 1.00 0.00 H new ATOM 19 N SER A 3 6.851 -16.620 14.975 1.00 0.00 N ATOM 20 CA SER A 3 6.220 -17.676 14.191 1.00 0.00 C ATOM 21 C SER A 3 4.745 -17.281 13.986 1.00 0.00 C ATOM 22 O SER A 3 4.312 -16.248 14.512 1.00 0.00 O ATOM 23 CB SER A 3 6.349 -19.013 14.932 1.00 0.00 C ATOM 24 OG SER A 3 7.710 -19.369 15.134 1.00 0.00 O ATOM 0 H SER A 3 6.164 -16.076 15.497 1.00 0.00 H new ATOM 0 HA SER A 3 6.702 -17.795 13.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.843 -18.946 15.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.848 -19.796 14.362 1.00 0.00 H new ATOM 0 HG SER A 3 8.289 -18.657 14.791 1.00 0.00 H new ATOM 30 N GLY A 4 3.981 -18.040 13.197 1.00 0.00 N ATOM 31 CA GLY A 4 2.570 -17.787 12.917 1.00 0.00 C ATOM 32 C GLY A 4 2.133 -18.431 11.600 1.00 0.00 C ATOM 33 O GLY A 4 2.962 -18.829 10.773 1.00 0.00 O ATOM 0 H GLY A 4 4.339 -18.870 12.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.961 -18.177 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.394 -16.712 12.873 1.00 0.00 H new ATOM 37 N SER A 5 0.821 -18.522 11.403 1.00 0.00 N ATOM 38 CA SER A 5 0.176 -19.103 10.230 1.00 0.00 C ATOM 39 C SER A 5 -0.109 -18.026 9.179 1.00 0.00 C ATOM 40 O SER A 5 -0.244 -16.850 9.539 1.00 0.00 O ATOM 41 CB SER A 5 -1.167 -19.720 10.655 1.00 0.00 C ATOM 42 OG SER A 5 -1.129 -20.306 11.946 1.00 0.00 O ATOM 0 H SER A 5 0.148 -18.177 12.088 1.00 0.00 H new ATOM 0 HA SER A 5 0.840 -19.856 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.936 -18.948 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.458 -20.478 9.927 1.00 0.00 H new ATOM 0 HG SER A 5 -2.009 -20.679 12.162 1.00 0.00 H new ATOM 48 N SER A 6 -0.254 -18.376 7.897 1.00 0.00 N ATOM 49 CA SER A 6 -0.577 -17.381 6.872 1.00 0.00 C ATOM 50 C SER A 6 -2.026 -16.944 7.141 1.00 0.00 C ATOM 51 O SER A 6 -2.859 -17.784 7.510 1.00 0.00 O ATOM 52 CB SER A 6 -0.419 -17.984 5.475 1.00 0.00 C ATOM 53 OG SER A 6 -0.533 -16.972 4.494 1.00 0.00 O ATOM 0 H SER A 6 -0.154 -19.329 7.548 1.00 0.00 H new ATOM 0 HA SER A 6 0.095 -16.524 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.550 -18.476 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.180 -18.747 5.312 1.00 0.00 H new ATOM 0 HG SER A 6 -0.429 -17.367 3.603 1.00 0.00 H new ATOM 59 N GLY A 7 -2.351 -15.652 7.022 1.00 0.00 N ATOM 60 CA GLY A 7 -3.705 -15.178 7.276 1.00 0.00 C ATOM 61 C GLY A 7 -3.757 -13.674 7.531 1.00 0.00 C ATOM 62 O GLY A 7 -2.931 -12.935 6.995 1.00 0.00 O ATOM 0 H GLY A 7 -1.692 -14.922 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.338 -15.421 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.116 -15.704 8.138 1.00 0.00 H new ATOM 66 N CYS A 8 -4.732 -13.218 8.337 1.00 0.00 N ATOM 67 CA CYS A 8 -4.899 -11.793 8.649 1.00 0.00 C ATOM 68 C CYS A 8 -3.624 -11.255 9.273 1.00 0.00 C ATOM 69 O CYS A 8 -3.330 -11.637 10.400 1.00 0.00 O ATOM 70 CB CYS A 8 -6.070 -11.494 9.624 1.00 0.00 C ATOM 71 SG CYS A 8 -6.660 -9.788 9.456 1.00 0.00 S ATOM 0 H CYS A 8 -5.420 -13.823 8.786 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.128 -11.307 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.891 -12.184 9.430 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.744 -11.667 10.649 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.958 -9.769 9.524 1.00 0.00 H new ATOM 76 N VAL A 9 -2.945 -10.310 8.631 1.00 0.00 N ATOM 77 CA VAL A 9 -1.710 -9.709 9.137 1.00 0.00 C ATOM 78 C VAL A 9 -1.916 -9.007 10.492 1.00 0.00 C ATOM 79 O VAL A 9 -0.948 -8.757 11.200 1.00 0.00 O ATOM 80 CB VAL A 9 -1.177 -8.808 8.008 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.057 -7.834 8.323 1.00 0.00 C ATOM 82 CG2 VAL A 9 -0.624 -9.725 6.912 1.00 0.00 C ATOM 0 H VAL A 9 -3.240 -9.932 7.730 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.957 -10.461 9.374 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.037 -8.189 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.203 -7.275 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.384 -7.142 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.816 -8.384 8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.236 -9.120 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.179 -10.338 7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.421 -10.370 6.541 1.00 0.00 H new ATOM 92 N ALA A 10 -3.168 -8.768 10.901 1.00 0.00 N ATOM 93 CA ALA A 10 -3.538 -8.129 12.160 1.00 0.00 C ATOM 94 C ALA A 10 -3.965 -9.123 13.256 1.00 0.00 C ATOM 95 O ALA A 10 -4.440 -8.695 14.308 1.00 0.00 O ATOM 96 CB ALA A 10 -4.678 -7.145 11.871 1.00 0.00 C ATOM 0 H ALA A 10 -3.979 -9.026 10.339 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.656 -7.621 12.550 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.976 -6.651 12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.340 -6.397 11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.529 -7.686 11.458 1.00 0.00 H new ATOM 102 N CYS A 11 -3.986 -10.437 13.003 1.00 0.00 N ATOM 103 CA CYS A 11 -4.377 -11.408 14.039 1.00 0.00 C ATOM 104 C CYS A 11 -3.763 -12.803 13.881 1.00 0.00 C ATOM 105 O CYS A 11 -3.897 -13.631 14.783 1.00 0.00 O ATOM 106 CB CYS A 11 -5.905 -11.525 14.092 1.00 0.00 C ATOM 107 SG CYS A 11 -6.598 -12.661 12.871 1.00 0.00 S ATOM 0 H CYS A 11 -3.741 -10.851 12.104 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.978 -11.012 14.973 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.199 -11.855 15.088 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.340 -10.537 13.942 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.892 -12.694 12.994 1.00 0.00 H new ATOM 112 N SER A 12 -3.142 -13.070 12.733 1.00 0.00 N ATOM 113 CA SER A 12 -2.504 -14.319 12.365 1.00 0.00 C ATOM 114 C SER A 12 -3.408 -15.536 12.599 1.00 0.00 C ATOM 115 O SER A 12 -3.062 -16.470 13.329 1.00 0.00 O ATOM 116 CB SER A 12 -1.054 -14.419 12.880 1.00 0.00 C ATOM 117 OG SER A 12 -0.865 -13.887 14.177 1.00 0.00 O ATOM 0 H SER A 12 -3.070 -12.371 11.993 1.00 0.00 H new ATOM 0 HA SER A 12 -2.374 -14.324 11.283 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.751 -15.466 12.881 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.396 -13.897 12.185 1.00 0.00 H new ATOM 0 HG SER A 12 0.075 -13.986 14.438 1.00 0.00 H new ATOM 123 N LYS A 13 -4.621 -15.474 12.027 1.00 0.00 N ATOM 124 CA LYS A 13 -5.602 -16.555 12.070 1.00 0.00 C ATOM 125 C LYS A 13 -5.781 -17.035 10.639 1.00 0.00 C ATOM 126 O LYS A 13 -5.857 -16.189 9.734 1.00 0.00 O ATOM 127 CB LYS A 13 -6.976 -16.179 12.615 1.00 0.00 C ATOM 128 CG LYS A 13 -6.917 -16.034 14.139 1.00 0.00 C ATOM 129 CD LYS A 13 -8.277 -16.229 14.812 1.00 0.00 C ATOM 130 CE LYS A 13 -8.183 -15.974 16.324 1.00 0.00 C ATOM 131 NZ LYS A 13 -7.355 -16.967 17.046 1.00 0.00 N ATOM 0 H LYS A 13 -4.947 -14.655 11.514 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.213 -17.307 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.310 -15.244 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.705 -16.942 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.212 -16.762 14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.532 -15.045 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.007 -15.551 14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.634 -17.243 14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.769 -14.979 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.188 -15.976 16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.364 -16.753 18.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.741 -17.920 16.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.378 -16.927 16.693 1.00 0.00 H new ATOM 145 N PRO A 14 -5.904 -18.353 10.431 1.00 0.00 N ATOM 146 CA PRO A 14 -6.063 -18.930 9.117 1.00 0.00 C ATOM 147 C PRO A 14 -7.390 -18.496 8.501 1.00 0.00 C ATOM 148 O PRO A 14 -8.468 -18.613 9.091 1.00 0.00 O ATOM 149 CB PRO A 14 -5.928 -20.442 9.310 1.00 0.00 C ATOM 150 CG PRO A 14 -6.323 -20.676 10.762 1.00 0.00 C ATOM 151 CD PRO A 14 -5.849 -19.397 11.444 1.00 0.00 C ATOM 0 HA PRO A 14 -5.310 -18.589 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.579 -20.989 8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.909 -20.778 9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.398 -20.820 10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.839 -21.560 11.177 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.486 -19.150 12.293 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.836 -19.513 11.829 1.00 0.00 H new ATOM 159 N ILE A 15 -7.283 -17.908 7.319 1.00 0.00 N ATOM 160 CA ILE A 15 -8.387 -17.421 6.501 1.00 0.00 C ATOM 161 C ILE A 15 -8.976 -18.646 5.788 1.00 0.00 C ATOM 162 O ILE A 15 -8.240 -19.532 5.338 1.00 0.00 O ATOM 163 CB ILE A 15 -7.890 -16.296 5.558 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.406 -15.097 6.411 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.007 -15.815 4.615 1.00 0.00 C ATOM 166 CD1 ILE A 15 -6.663 -14.028 5.610 1.00 0.00 C ATOM 0 H ILE A 15 -6.376 -17.749 6.880 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.181 -16.957 7.086 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.077 -16.696 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.267 -14.639 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.752 -15.466 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.623 -15.026 3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.352 -16.649 4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.839 -15.428 5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.356 -13.222 6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.782 -14.469 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.321 -13.630 4.837 1.00 0.00 H new ATOM 178 N SER A 16 -10.305 -18.746 5.761 1.00 0.00 N ATOM 179 CA SER A 16 -11.027 -19.839 5.120 1.00 0.00 C ATOM 180 C SER A 16 -11.067 -19.616 3.598 1.00 0.00 C ATOM 181 O SER A 16 -10.497 -18.651 3.082 1.00 0.00 O ATOM 182 CB SER A 16 -12.417 -19.910 5.759 1.00 0.00 C ATOM 183 OG SER A 16 -13.153 -21.070 5.410 1.00 0.00 O ATOM 0 H SER A 16 -10.919 -18.055 6.193 1.00 0.00 H new ATOM 0 HA SER A 16 -10.531 -20.798 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.310 -19.873 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.987 -19.028 5.465 1.00 0.00 H new ATOM 0 HG SER A 16 -14.026 -21.049 5.854 1.00 0.00 H new ATOM 189 N GLY A 17 -11.675 -20.549 2.869 1.00 0.00 N ATOM 190 CA GLY A 17 -11.803 -20.484 1.425 1.00 0.00 C ATOM 191 C GLY A 17 -12.980 -19.604 1.036 1.00 0.00 C ATOM 192 O GLY A 17 -13.723 -19.101 1.881 1.00 0.00 O ATOM 0 H GLY A 17 -12.098 -21.383 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.885 -20.088 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.941 -21.487 1.020 1.00 0.00 H new ATOM 196 N LEU A 18 -13.192 -19.461 -0.269 1.00 0.00 N ATOM 197 CA LEU A 18 -14.268 -18.676 -0.874 1.00 0.00 C ATOM 198 C LEU A 18 -15.664 -19.260 -0.588 1.00 0.00 C ATOM 199 O LEU A 18 -16.645 -18.802 -1.165 1.00 0.00 O ATOM 200 CB LEU A 18 -14.002 -18.521 -2.386 1.00 0.00 C ATOM 201 CG LEU A 18 -12.832 -17.562 -2.684 1.00 0.00 C ATOM 202 CD1 LEU A 18 -12.344 -17.730 -4.123 1.00 0.00 C ATOM 203 CD2 LEU A 18 -13.236 -16.101 -2.477 1.00 0.00 C ATOM 0 H LEU A 18 -12.594 -19.907 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.270 -17.688 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.785 -19.499 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.904 -18.152 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.032 -17.815 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.518 -17.043 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.005 -18.755 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.160 -17.512 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.387 -15.454 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.062 -15.854 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.548 -15.953 -1.443 1.00 0.00 H new ATOM 215 N THR A 19 -15.794 -20.240 0.308 1.00 0.00 N ATOM 216 CA THR A 19 -17.026 -20.907 0.719 1.00 0.00 C ATOM 217 C THR A 19 -17.952 -19.986 1.546 1.00 0.00 C ATOM 218 O THR A 19 -18.795 -20.466 2.307 1.00 0.00 O ATOM 219 CB THR A 19 -16.636 -22.220 1.429 1.00 0.00 C ATOM 220 OG1 THR A 19 -17.742 -23.098 1.450 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.053 -22.034 2.836 1.00 0.00 C ATOM 0 H THR A 19 -14.982 -20.613 0.799 1.00 0.00 H new ATOM 0 HA THR A 19 -17.633 -21.153 -0.152 1.00 0.00 H new ATOM 0 HB THR A 19 -15.824 -22.654 0.845 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.545 -22.606 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.807 -23.008 3.260 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.151 -21.425 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.786 -21.537 3.471 1.00 0.00 H new ATOM 229 N GLY A 20 -17.819 -18.666 1.419 1.00 0.00 N ATOM 230 CA GLY A 20 -18.591 -17.670 2.139 1.00 0.00 C ATOM 231 C GLY A 20 -17.724 -16.862 3.094 1.00 0.00 C ATOM 232 O GLY A 20 -18.259 -16.044 3.835 1.00 0.00 O ATOM 0 H GLY A 20 -17.139 -18.250 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -19.071 -16.998 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -19.386 -18.162 2.699 1.00 0.00 H new ATOM 236 N ALA A 21 -16.407 -17.085 3.150 1.00 0.00 N ATOM 237 CA ALA A 21 -15.566 -16.299 4.033 1.00 0.00 C ATOM 238 C ALA A 21 -15.182 -15.041 3.260 1.00 0.00 C ATOM 239 O ALA A 21 -14.324 -15.093 2.376 1.00 0.00 O ATOM 240 CB ALA A 21 -14.355 -17.099 4.495 1.00 0.00 C ATOM 0 H ALA A 21 -15.916 -17.791 2.602 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.092 -16.026 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.743 -16.484 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.689 -17.987 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.765 -17.399 3.629 1.00 0.00 H new ATOM 246 N LYS A 22 -15.851 -13.921 3.533 1.00 0.00 N ATOM 247 CA LYS A 22 -15.545 -12.669 2.852 1.00 0.00 C ATOM 248 C LYS A 22 -14.221 -12.131 3.399 1.00 0.00 C ATOM 249 O LYS A 22 -13.992 -12.139 4.618 1.00 0.00 O ATOM 250 CB LYS A 22 -16.724 -11.685 2.926 1.00 0.00 C ATOM 251 CG LYS A 22 -17.206 -11.319 4.340 1.00 0.00 C ATOM 252 CD LYS A 22 -18.221 -10.164 4.307 1.00 0.00 C ATOM 253 CE LYS A 22 -19.548 -10.479 3.608 1.00 0.00 C ATOM 254 NZ LYS A 22 -20.410 -11.391 4.382 1.00 0.00 N ATOM 0 H LYS A 22 -16.604 -13.858 4.218 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.408 -12.832 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.439 -10.767 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.563 -12.111 2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.661 -12.192 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.352 -11.037 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.432 -9.858 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.760 -9.311 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.085 -9.548 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.342 -10.923 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.291 -11.565 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.914 -12.292 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.634 -10.960 5.301 1.00 0.00 H new ATOM 268 N PHE A 23 -13.306 -11.742 2.515 1.00 0.00 N ATOM 269 CA PHE A 23 -11.991 -11.201 2.840 1.00 0.00 C ATOM 270 C PHE A 23 -11.606 -10.142 1.808 1.00 0.00 C ATOM 271 O PHE A 23 -12.218 -10.074 0.744 1.00 0.00 O ATOM 272 CB PHE A 23 -10.954 -12.328 2.975 1.00 0.00 C ATOM 273 CG PHE A 23 -10.940 -13.414 1.915 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.523 -13.133 0.601 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.303 -14.732 2.259 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.458 -14.163 -0.355 1.00 0.00 C ATOM 277 CE2 PHE A 23 -11.240 -15.759 1.304 1.00 0.00 C ATOM 278 CZ PHE A 23 -10.800 -15.478 0.001 1.00 0.00 C ATOM 0 H PHE A 23 -13.469 -11.798 1.510 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.021 -10.708 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.965 -11.871 2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.106 -12.807 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.252 -12.124 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.632 -14.953 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.145 -13.942 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.530 -16.764 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.725 -16.272 -0.727 1.00 0.00 H new ATOM 288 N ILE A 24 -10.596 -9.326 2.116 1.00 0.00 N ATOM 289 CA ILE A 24 -10.099 -8.247 1.276 1.00 0.00 C ATOM 290 C ILE A 24 -8.652 -8.548 0.880 1.00 0.00 C ATOM 291 O ILE A 24 -7.745 -8.410 1.705 1.00 0.00 O ATOM 292 CB ILE A 24 -10.212 -6.886 2.014 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.571 -6.627 2.703 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.874 -5.727 1.059 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.775 -6.518 1.764 1.00 0.00 C ATOM 0 H ILE A 24 -10.084 -9.407 2.995 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.704 -8.177 0.372 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.482 -6.940 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.758 -7.432 3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.497 -5.705 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.958 -4.780 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.856 -5.846 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.569 -5.733 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.677 -6.336 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.621 -5.693 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.886 -7.447 1.205 1.00 0.00 H new ATOM 307 N CYS A 25 -8.449 -9.016 -0.350 1.00 0.00 N ATOM 308 CA CYS A 25 -7.127 -9.311 -0.889 1.00 0.00 C ATOM 309 C CYS A 25 -6.582 -7.964 -1.368 1.00 0.00 C ATOM 310 O CYS A 25 -7.221 -7.346 -2.228 1.00 0.00 O ATOM 311 CB CYS A 25 -7.232 -10.277 -2.075 1.00 0.00 C ATOM 312 SG CYS A 25 -8.238 -11.729 -1.664 1.00 0.00 S ATOM 0 H CYS A 25 -9.208 -9.202 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.484 -9.781 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.670 -9.760 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.234 -10.598 -2.374 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.303 -12.518 -2.695 1.00 0.00 H new ATOM 318 N PHE A 26 -5.518 -7.442 -0.766 1.00 0.00 N ATOM 319 CA PHE A 26 -4.920 -6.168 -1.151 1.00 0.00 C ATOM 320 C PHE A 26 -3.408 -6.256 -0.945 1.00 0.00 C ATOM 321 O PHE A 26 -2.991 -6.895 0.015 1.00 0.00 O ATOM 322 CB PHE A 26 -5.550 -5.042 -0.316 1.00 0.00 C ATOM 323 CG PHE A 26 -4.988 -3.678 -0.647 1.00 0.00 C ATOM 324 CD1 PHE A 26 -5.386 -3.021 -1.827 1.00 0.00 C ATOM 325 CD2 PHE A 26 -4.012 -3.098 0.183 1.00 0.00 C ATOM 326 CE1 PHE A 26 -4.780 -1.808 -2.195 1.00 0.00 C ATOM 327 CE2 PHE A 26 -3.396 -1.896 -0.195 1.00 0.00 C ATOM 328 CZ PHE A 26 -3.763 -1.265 -1.394 1.00 0.00 C ATOM 0 H PHE A 26 -5.041 -7.897 0.012 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.109 -5.947 -2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.628 -5.035 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.390 -5.248 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.157 -3.450 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.737 -3.578 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.096 -1.295 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.639 -1.456 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.262 -0.359 -1.701 1.00 0.00 H new ATOM 338 N GLN A 27 -2.607 -5.565 -1.772 1.00 0.00 N ATOM 339 CA GLN A 27 -1.140 -5.536 -1.731 1.00 0.00 C ATOM 340 C GLN A 27 -0.559 -6.908 -1.356 1.00 0.00 C ATOM 341 O GLN A 27 0.152 -7.037 -0.365 1.00 0.00 O ATOM 342 CB GLN A 27 -0.617 -4.382 -0.842 1.00 0.00 C ATOM 343 CG GLN A 27 -0.553 -3.046 -1.601 1.00 0.00 C ATOM 344 CD GLN A 27 -0.084 -1.847 -0.761 1.00 0.00 C ATOM 345 OE1 GLN A 27 -0.458 -0.706 -1.040 1.00 0.00 O ATOM 346 NE2 GLN A 27 0.743 -2.033 0.256 1.00 0.00 N ATOM 0 H GLN A 27 -2.984 -4.985 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.779 -5.323 -2.737 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.265 -4.273 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.376 -4.634 -0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.119 -3.160 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.542 -2.825 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.057 -2.974 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.066 -1.235 0.803 1.00 0.00 H new ATOM 355 N ASP A 28 -0.888 -7.933 -2.154 1.00 0.00 N ATOM 356 CA ASP A 28 -0.445 -9.328 -2.001 1.00 0.00 C ATOM 357 C ASP A 28 -0.601 -9.907 -0.585 1.00 0.00 C ATOM 358 O ASP A 28 0.058 -10.882 -0.224 1.00 0.00 O ATOM 359 CB ASP A 28 0.962 -9.532 -2.594 1.00 0.00 C ATOM 360 CG ASP A 28 2.078 -8.795 -1.854 1.00 0.00 C ATOM 361 OD1 ASP A 28 2.634 -9.333 -0.864 1.00 0.00 O ATOM 362 OD2 ASP A 28 2.472 -7.705 -2.333 1.00 0.00 O ATOM 0 H ASP A 28 -1.498 -7.808 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.141 -9.926 -2.589 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.189 -10.598 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.955 -9.204 -3.633 1.00 0.00 H new ATOM 367 N SER A 29 -1.530 -9.360 0.193 1.00 0.00 N ATOM 368 CA SER A 29 -1.870 -9.713 1.558 1.00 0.00 C ATOM 369 C SER A 29 -3.385 -9.939 1.640 1.00 0.00 C ATOM 370 O SER A 29 -4.125 -9.621 0.699 1.00 0.00 O ATOM 371 CB SER A 29 -1.352 -8.597 2.466 1.00 0.00 C ATOM 372 OG SER A 29 -1.229 -9.027 3.802 1.00 0.00 O ATOM 0 H SER A 29 -2.110 -8.594 -0.149 1.00 0.00 H new ATOM 0 HA SER A 29 -1.404 -10.641 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.383 -8.253 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.030 -7.745 2.419 1.00 0.00 H new ATOM 0 HG SER A 29 -1.369 -8.267 4.405 1.00 0.00 H new ATOM 378 N GLN A 30 -3.861 -10.555 2.725 1.00 0.00 N ATOM 379 CA GLN A 30 -5.278 -10.848 2.904 1.00 0.00 C ATOM 380 C GLN A 30 -5.763 -10.348 4.261 1.00 0.00 C ATOM 381 O GLN A 30 -5.459 -10.935 5.304 1.00 0.00 O ATOM 382 CB GLN A 30 -5.512 -12.365 2.834 1.00 0.00 C ATOM 383 CG GLN A 30 -5.162 -13.101 1.534 1.00 0.00 C ATOM 384 CD GLN A 30 -5.384 -14.610 1.716 1.00 0.00 C ATOM 385 OE1 GLN A 30 -6.257 -15.042 2.466 1.00 0.00 O ATOM 386 NE2 GLN A 30 -4.565 -15.453 1.111 1.00 0.00 N ATOM 0 H GLN A 30 -3.274 -10.862 3.500 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.830 -10.344 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.941 -12.826 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.566 -12.548 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.780 -12.729 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.124 -12.907 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.839 -15.100 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.659 -16.457 1.267 1.00 0.00 H new ATOM 395 N TRP A 31 -6.584 -9.302 4.257 1.00 0.00 N ATOM 396 CA TRP A 31 -7.138 -8.739 5.477 1.00 0.00 C ATOM 397 C TRP A 31 -8.590 -9.186 5.598 1.00 0.00 C ATOM 398 O TRP A 31 -9.264 -9.511 4.618 1.00 0.00 O ATOM 399 CB TRP A 31 -7.017 -7.210 5.469 1.00 0.00 C ATOM 400 CG TRP A 31 -5.665 -6.667 5.837 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.211 -6.504 7.101 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.591 -6.179 4.973 1.00 0.00 C ATOM 403 NE1 TRP A 31 -3.934 -5.985 7.080 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.494 -5.775 5.797 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.406 -6.067 3.579 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.281 -5.308 5.274 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.203 -5.565 3.049 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.139 -5.190 3.885 1.00 0.00 C ATOM 0 H TRP A 31 -6.882 -8.823 3.407 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.581 -9.097 6.343 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.277 -6.847 4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.754 -6.801 6.160 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.767 -6.745 7.995 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.384 -5.782 7.915 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.198 -6.370 2.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.467 -5.043 5.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.096 -5.466 1.979 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.219 -4.814 3.461 1.00 0.00 H new ATOM 419 N HIS A 32 -9.068 -9.300 6.832 1.00 0.00 N ATOM 420 CA HIS A 32 -10.451 -9.682 7.108 1.00 0.00 C ATOM 421 C HIS A 32 -11.276 -8.406 6.978 1.00 0.00 C ATOM 422 O HIS A 32 -10.745 -7.344 7.292 1.00 0.00 O ATOM 423 CB HIS A 32 -10.573 -10.194 8.548 1.00 0.00 C ATOM 424 CG HIS A 32 -9.994 -11.557 8.835 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.197 -11.851 9.949 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.337 -12.719 8.209 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.108 -13.202 9.961 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.770 -13.737 8.932 1.00 0.00 N ATOM 0 H HIS A 32 -8.510 -9.131 7.669 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.785 -10.465 6.427 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.089 -9.473 9.207 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.630 -10.210 8.815 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.938 -12.818 7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.572 -13.772 10.705 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.842 -14.732 8.720 1.00 0.00 H new ATOM 436 N SER A 33 -12.566 -8.481 6.628 1.00 0.00 N ATOM 437 CA SER A 33 -13.405 -7.279 6.522 1.00 0.00 C ATOM 438 C SER A 33 -13.394 -6.543 7.871 1.00 0.00 C ATOM 439 O SER A 33 -13.370 -5.315 7.944 1.00 0.00 O ATOM 440 CB SER A 33 -14.839 -7.677 6.131 1.00 0.00 C ATOM 441 OG SER A 33 -15.699 -6.557 5.989 1.00 0.00 O ATOM 0 H SER A 33 -13.049 -9.354 6.415 1.00 0.00 H new ATOM 0 HA SER A 33 -13.013 -6.616 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.815 -8.232 5.193 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.245 -8.348 6.888 1.00 0.00 H new ATOM 0 HG SER A 33 -16.596 -6.863 5.739 1.00 0.00 H new ATOM 447 N GLU A 34 -13.384 -7.309 8.960 1.00 0.00 N ATOM 448 CA GLU A 34 -13.369 -6.795 10.315 1.00 0.00 C ATOM 449 C GLU A 34 -12.036 -6.130 10.683 1.00 0.00 C ATOM 450 O GLU A 34 -11.987 -5.409 11.676 1.00 0.00 O ATOM 451 CB GLU A 34 -13.524 -7.987 11.268 1.00 0.00 C ATOM 452 CG GLU A 34 -14.810 -8.802 11.130 1.00 0.00 C ATOM 453 CD GLU A 34 -14.824 -9.867 12.224 1.00 0.00 C ATOM 454 OE1 GLU A 34 -14.068 -10.864 12.098 1.00 0.00 O ATOM 455 OE2 GLU A 34 -15.522 -9.660 13.243 1.00 0.00 O ATOM 0 H GLU A 34 -13.386 -8.328 8.916 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.168 -6.058 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.677 -8.657 11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.462 -7.617 12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.682 -8.154 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.860 -9.268 10.146 1.00 0.00 H new ATOM 462 N CYS A 35 -10.963 -6.389 9.928 1.00 0.00 N ATOM 463 CA CYS A 35 -9.611 -5.904 10.172 1.00 0.00 C ATOM 464 C CYS A 35 -8.936 -5.193 8.987 1.00 0.00 C ATOM 465 O CYS A 35 -7.723 -5.305 8.835 1.00 0.00 O ATOM 466 CB CYS A 35 -8.809 -7.096 10.742 1.00 0.00 C ATOM 467 SG CYS A 35 -9.186 -7.425 12.483 1.00 0.00 S ATOM 0 H CYS A 35 -11.022 -6.970 9.092 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.649 -5.089 10.895 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.024 -7.988 10.153 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.743 -6.894 10.637 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.482 -8.437 12.896 1.00 0.00 H new ATOM 472 N PHE A 36 -9.703 -4.572 8.090 1.00 0.00 N ATOM 473 CA PHE A 36 -9.176 -3.793 6.972 1.00 0.00 C ATOM 474 C PHE A 36 -9.645 -2.407 7.404 1.00 0.00 C ATOM 475 O PHE A 36 -10.836 -2.098 7.274 1.00 0.00 O ATOM 476 CB PHE A 36 -9.750 -4.304 5.647 1.00 0.00 C ATOM 477 CG PHE A 36 -9.236 -3.602 4.402 1.00 0.00 C ATOM 478 CD1 PHE A 36 -7.998 -3.967 3.838 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.006 -2.600 3.784 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.586 -3.422 2.611 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.571 -2.019 2.579 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.394 -2.479 1.958 1.00 0.00 C ATOM 0 H PHE A 36 -10.722 -4.597 8.121 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.103 -3.836 6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.530 -5.368 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.835 -4.205 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.361 -4.671 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.932 -2.276 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.649 -3.728 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.141 -1.219 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.114 -2.108 0.983 1.00 0.00 H new ATOM 492 N ASN A 37 -8.757 -1.597 7.986 1.00 0.00 N ATOM 493 CA ASN A 37 -9.114 -0.280 8.496 1.00 0.00 C ATOM 494 C ASN A 37 -8.007 0.775 8.347 1.00 0.00 C ATOM 495 O ASN A 37 -6.893 0.479 7.927 1.00 0.00 O ATOM 496 CB ASN A 37 -9.528 -0.481 9.968 1.00 0.00 C ATOM 497 CG ASN A 37 -8.372 -0.812 10.889 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.518 0.033 11.123 1.00 0.00 O ATOM 499 ND2 ASN A 37 -8.364 -1.986 11.486 1.00 0.00 N ATOM 0 H ASN A 37 -7.774 -1.839 8.114 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.931 0.128 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.017 0.425 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.264 -1.283 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.634 -2.209 12.162 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.088 -2.672 11.272 1.00 0.00 H new ATOM 506 N CYS A 38 -8.330 2.037 8.668 1.00 0.00 N ATOM 507 CA CYS A 38 -7.407 3.174 8.601 1.00 0.00 C ATOM 508 C CYS A 38 -6.303 2.992 9.632 1.00 0.00 C ATOM 509 O CYS A 38 -6.562 3.329 10.785 1.00 0.00 O ATOM 510 CB CYS A 38 -8.103 4.525 8.910 1.00 0.00 C ATOM 511 SG CYS A 38 -6.980 5.925 8.658 1.00 0.00 S ATOM 0 H CYS A 38 -9.262 2.299 8.988 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.018 3.201 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.978 4.639 8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.460 4.524 9.940 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.366 6.928 9.389 1.00 0.00 H new ATOM 516 N GLY A 39 -5.075 2.674 9.230 1.00 0.00 N ATOM 517 CA GLY A 39 -3.982 2.474 10.181 1.00 0.00 C ATOM 518 C GLY A 39 -3.781 3.604 11.201 1.00 0.00 C ATOM 519 O GLY A 39 -3.397 3.358 12.341 1.00 0.00 O ATOM 0 H GLY A 39 -4.811 2.549 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.160 1.545 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.056 2.343 9.622 1.00 0.00 H new ATOM 523 N LYS A 40 -4.083 4.852 10.826 1.00 0.00 N ATOM 524 CA LYS A 40 -3.922 6.018 11.695 1.00 0.00 C ATOM 525 C LYS A 40 -5.003 6.190 12.756 1.00 0.00 C ATOM 526 O LYS A 40 -4.746 6.880 13.730 1.00 0.00 O ATOM 527 CB LYS A 40 -3.852 7.308 10.857 1.00 0.00 C ATOM 528 CG LYS A 40 -2.448 7.498 10.275 1.00 0.00 C ATOM 529 CD LYS A 40 -2.270 8.787 9.455 1.00 0.00 C ATOM 530 CE LYS A 40 -0.873 8.878 8.817 1.00 0.00 C ATOM 531 NZ LYS A 40 0.186 9.319 9.753 1.00 0.00 N ATOM 0 H LYS A 40 -4.449 5.081 9.902 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.989 5.833 12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.583 7.264 10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.113 8.165 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.726 7.499 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.212 6.643 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.028 8.827 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.431 9.651 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.604 7.902 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.913 9.570 7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.097 9.356 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.047 10.264 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.252 8.647 10.544 1.00 0.00 H new ATOM 545 N CYS A 41 -6.213 5.646 12.574 1.00 0.00 N ATOM 546 CA CYS A 41 -7.277 5.823 13.563 1.00 0.00 C ATOM 547 C CYS A 41 -8.077 4.564 13.921 1.00 0.00 C ATOM 548 O CYS A 41 -8.721 4.541 14.971 1.00 0.00 O ATOM 549 CB CYS A 41 -8.295 6.835 13.010 1.00 0.00 C ATOM 550 SG CYS A 41 -9.675 6.126 12.093 1.00 0.00 S ATOM 0 H CYS A 41 -6.475 5.087 11.762 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.762 6.143 14.469 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.694 7.414 13.843 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.769 7.534 12.359 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.459 7.079 11.684 1.00 0.00 H new ATOM 555 N SER A 42 -8.107 3.574 13.026 1.00 0.00 N ATOM 556 CA SER A 42 -8.842 2.328 13.166 1.00 0.00 C ATOM 557 C SER A 42 -10.346 2.580 12.955 1.00 0.00 C ATOM 558 O SER A 42 -11.094 2.884 13.880 1.00 0.00 O ATOM 559 CB SER A 42 -8.464 1.566 14.449 1.00 0.00 C ATOM 560 OG SER A 42 -8.954 0.240 14.410 1.00 0.00 O ATOM 0 H SER A 42 -7.594 3.628 12.146 1.00 0.00 H new ATOM 0 HA SER A 42 -8.545 1.637 12.377 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.380 1.554 14.564 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.871 2.083 15.318 1.00 0.00 H new ATOM 0 HG SER A 42 -8.701 -0.227 15.234 1.00 0.00 H new ATOM 566 N VAL A 43 -10.765 2.566 11.687 1.00 0.00 N ATOM 567 CA VAL A 43 -12.109 2.725 11.145 1.00 0.00 C ATOM 568 C VAL A 43 -12.095 1.938 9.841 1.00 0.00 C ATOM 569 O VAL A 43 -11.108 2.062 9.103 1.00 0.00 O ATOM 570 CB VAL A 43 -12.445 4.198 10.919 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.628 4.894 9.821 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.924 4.384 10.589 1.00 0.00 C ATOM 0 H VAL A 43 -10.091 2.427 10.934 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.876 2.360 11.827 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.183 4.669 11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.942 5.935 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.569 4.853 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.793 4.389 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.132 5.443 10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.167 3.830 9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.531 4.013 11.415 1.00 0.00 H new ATOM 582 N SER A 44 -13.134 1.163 9.554 1.00 0.00 N ATOM 583 CA SER A 44 -13.177 0.363 8.340 1.00 0.00 C ATOM 584 C SER A 44 -12.955 1.188 7.071 1.00 0.00 C ATOM 585 O SER A 44 -13.347 2.360 6.957 1.00 0.00 O ATOM 586 CB SER A 44 -14.501 -0.407 8.247 1.00 0.00 C ATOM 587 OG SER A 44 -14.414 -1.408 7.253 1.00 0.00 O ATOM 0 H SER A 44 -13.958 1.073 10.148 1.00 0.00 H new ATOM 0 HA SER A 44 -12.350 -0.343 8.407 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.735 -0.860 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.314 0.280 8.012 1.00 0.00 H new ATOM 0 HG SER A 44 -15.263 -1.894 7.203 1.00 0.00 H new ATOM 593 N LEU A 45 -12.309 0.527 6.113 1.00 0.00 N ATOM 594 CA LEU A 45 -11.988 1.016 4.776 1.00 0.00 C ATOM 595 C LEU A 45 -12.651 0.101 3.733 1.00 0.00 C ATOM 596 O LEU A 45 -12.454 0.301 2.534 1.00 0.00 O ATOM 597 CB LEU A 45 -10.462 1.106 4.551 1.00 0.00 C ATOM 598 CG LEU A 45 -9.716 2.082 5.477 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.226 2.143 5.129 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.251 3.508 5.425 1.00 0.00 C ATOM 0 H LEU A 45 -11.975 -0.425 6.260 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.379 2.028 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.034 0.112 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.281 1.402 3.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.875 1.686 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.724 2.841 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.786 1.152 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.106 2.480 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.676 4.137 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.162 3.893 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.299 3.515 5.725 1.00 0.00 H new ATOM 612 N VAL A 46 -13.408 -0.915 4.166 1.00 0.00 N ATOM 613 CA VAL A 46 -14.111 -1.870 3.321 1.00 0.00 C ATOM 614 C VAL A 46 -15.182 -1.093 2.556 1.00 0.00 C ATOM 615 O VAL A 46 -16.208 -0.711 3.118 1.00 0.00 O ATOM 616 CB VAL A 46 -14.662 -3.025 4.181 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.341 -4.084 3.309 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.526 -3.718 4.947 1.00 0.00 C ATOM 0 H VAL A 46 -13.549 -1.096 5.160 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.454 -2.344 2.592 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.383 -2.591 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.720 -4.887 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.168 -3.630 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.619 -4.490 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.935 -4.530 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.802 -4.120 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.034 -2.996 5.599 1.00 0.00 H new ATOM 628 N GLY A 47 -14.933 -0.812 1.276 1.00 0.00 N ATOM 629 CA GLY A 47 -15.852 -0.060 0.435 1.00 0.00 C ATOM 630 C GLY A 47 -15.789 1.445 0.708 1.00 0.00 C ATOM 631 O GLY A 47 -16.599 2.183 0.143 1.00 0.00 O ATOM 0 H GLY A 47 -14.082 -1.104 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.618 -0.247 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.869 -0.415 0.603 1.00 0.00 H new ATOM 635 N LYS A 48 -14.865 1.918 1.551 1.00 0.00 N ATOM 636 CA LYS A 48 -14.724 3.330 1.886 1.00 0.00 C ATOM 637 C LYS A 48 -13.402 3.817 1.317 1.00 0.00 C ATOM 638 O LYS A 48 -12.397 3.777 2.034 1.00 0.00 O ATOM 639 CB LYS A 48 -14.850 3.574 3.400 1.00 0.00 C ATOM 640 CG LYS A 48 -16.070 2.911 4.055 1.00 0.00 C ATOM 641 CD LYS A 48 -16.488 3.604 5.361 1.00 0.00 C ATOM 642 CE LYS A 48 -17.045 4.997 5.049 1.00 0.00 C ATOM 643 NZ LYS A 48 -17.753 5.609 6.189 1.00 0.00 N ATOM 0 H LYS A 48 -14.188 1.319 2.023 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.536 3.905 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.948 3.208 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.897 4.648 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.906 2.926 3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.844 1.864 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.241 3.007 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.632 3.685 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.226 5.649 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.727 4.927 4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.105 6.548 5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.554 5.006 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.100 5.705 6.992 1.00 0.00 H new ATOM 657 N GLY A 49 -13.428 4.260 0.056 1.00 0.00 N ATOM 658 CA GLY A 49 -12.324 4.779 -0.749 1.00 0.00 C ATOM 659 C GLY A 49 -11.150 5.263 0.088 1.00 0.00 C ATOM 660 O GLY A 49 -11.270 6.263 0.802 1.00 0.00 O ATOM 0 H GLY A 49 -14.301 4.264 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.981 3.999 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.687 5.602 -1.365 1.00 0.00 H new ATOM 664 N PHE A 50 -10.040 4.528 0.038 1.00 0.00 N ATOM 665 CA PHE A 50 -8.831 4.814 0.794 1.00 0.00 C ATOM 666 C PHE A 50 -7.672 5.261 -0.093 1.00 0.00 C ATOM 667 O PHE A 50 -7.696 5.134 -1.320 1.00 0.00 O ATOM 668 CB PHE A 50 -8.485 3.576 1.637 1.00 0.00 C ATOM 669 CG PHE A 50 -8.169 2.324 0.845 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.208 1.467 0.429 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.832 2.017 0.522 1.00 0.00 C ATOM 672 CE1 PHE A 50 -8.914 0.327 -0.340 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.543 0.861 -0.224 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.582 0.025 -0.666 1.00 0.00 C ATOM 0 H PHE A 50 -9.959 3.696 -0.546 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.014 5.662 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.628 3.814 2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.322 3.364 2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.230 1.686 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.033 2.667 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.712 -0.316 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.518 0.615 -0.458 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.356 -0.850 -1.257 1.00 0.00 H new ATOM 684 N LEU A 51 -6.662 5.826 0.563 1.00 0.00 N ATOM 685 CA LEU A 51 -5.441 6.343 -0.033 1.00 0.00 C ATOM 686 C LEU A 51 -4.321 5.361 0.279 1.00 0.00 C ATOM 687 O LEU A 51 -4.342 4.713 1.332 1.00 0.00 O ATOM 688 CB LEU A 51 -5.127 7.746 0.508 1.00 0.00 C ATOM 689 CG LEU A 51 -5.936 8.909 -0.107 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.445 8.770 0.096 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.504 10.241 0.522 1.00 0.00 C ATOM 0 H LEU A 51 -6.677 5.940 1.577 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.553 6.441 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.295 7.744 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.067 7.945 0.351 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.729 8.882 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.953 9.620 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.791 7.847 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.668 8.744 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.080 11.055 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.682 10.210 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.443 10.405 0.334 1.00 0.00 H new ATOM 703 N THR A 52 -3.331 5.303 -0.605 1.00 0.00 N ATOM 704 CA THR A 52 -2.186 4.417 -0.518 1.00 0.00 C ATOM 705 C THR A 52 -0.911 5.258 -0.574 1.00 0.00 C ATOM 706 O THR A 52 -0.614 5.889 -1.595 1.00 0.00 O ATOM 707 CB THR A 52 -2.304 3.386 -1.663 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.605 4.001 -2.903 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.433 2.385 -1.418 1.00 0.00 C ATOM 0 H THR A 52 -3.308 5.898 -1.433 1.00 0.00 H new ATOM 0 HA THR A 52 -2.151 3.864 0.420 1.00 0.00 H new ATOM 0 HB THR A 52 -1.334 2.891 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.114 4.846 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.480 1.679 -2.247 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.244 1.844 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.381 2.917 -1.341 1.00 0.00 H new ATOM 717 N GLN A 53 -0.194 5.372 0.544 1.00 0.00 N ATOM 718 CA GLN A 53 1.047 6.131 0.635 1.00 0.00 C ATOM 719 C GLN A 53 2.002 5.382 1.553 1.00 0.00 C ATOM 720 O GLN A 53 1.543 4.687 2.456 1.00 0.00 O ATOM 721 CB GLN A 53 0.773 7.563 1.127 1.00 0.00 C ATOM 722 CG GLN A 53 0.432 7.672 2.608 1.00 0.00 C ATOM 723 CD GLN A 53 0.353 9.120 3.067 1.00 0.00 C ATOM 724 OE1 GLN A 53 -0.626 9.824 2.816 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.353 9.589 3.777 1.00 0.00 N ATOM 0 H GLN A 53 -0.466 4.932 1.423 1.00 0.00 H new ATOM 0 HA GLN A 53 1.507 6.225 -0.349 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.651 8.177 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.050 7.981 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.521 7.178 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.186 7.146 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.158 8.996 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.325 10.546 4.128 1.00 0.00 H new ATOM 734 N ASN A 54 3.309 5.555 1.360 1.00 0.00 N ATOM 735 CA ASN A 54 4.393 4.946 2.137 1.00 0.00 C ATOM 736 C ASN A 54 4.145 3.442 2.363 1.00 0.00 C ATOM 737 O ASN A 54 4.553 2.875 3.376 1.00 0.00 O ATOM 738 CB ASN A 54 4.577 5.708 3.468 1.00 0.00 C ATOM 739 CG ASN A 54 5.067 7.156 3.377 1.00 0.00 C ATOM 740 OD1 ASN A 54 4.540 7.986 2.493 1.00 0.00 O flip ATOM 741 ND2 ASN A 54 5.920 7.570 4.158 1.00 0.00 N flip ATOM 0 H ASN A 54 3.662 6.157 0.616 1.00 0.00 H new ATOM 0 HA ASN A 54 5.320 5.026 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.623 5.706 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.282 5.150 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.333 6.938 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.215 8.546 4.121 1.00 0.00 H new ATOM 748 N LYS A 55 3.501 2.768 1.403 1.00 0.00 N ATOM 749 CA LYS A 55 3.116 1.352 1.374 1.00 0.00 C ATOM 750 C LYS A 55 1.929 1.040 2.292 1.00 0.00 C ATOM 751 O LYS A 55 1.378 -0.056 2.223 1.00 0.00 O ATOM 752 CB LYS A 55 4.307 0.398 1.582 1.00 0.00 C ATOM 753 CG LYS A 55 5.392 0.594 0.511 1.00 0.00 C ATOM 754 CD LYS A 55 6.563 1.536 0.826 1.00 0.00 C ATOM 755 CE LYS A 55 7.419 1.041 1.998 1.00 0.00 C ATOM 756 NZ LYS A 55 7.083 1.705 3.271 1.00 0.00 N ATOM 0 H LYS A 55 3.210 3.243 0.549 1.00 0.00 H new ATOM 0 HA LYS A 55 2.765 1.161 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.737 0.564 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.955 -0.633 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.807 -0.386 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.905 0.960 -0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.190 1.639 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.175 2.528 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.287 -0.035 2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.471 1.212 1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.088 1.005 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.785 2.445 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.138 2.134 3.200 1.00 0.00 H new ATOM 770 N GLU A 56 1.514 1.981 3.129 1.00 0.00 N ATOM 771 CA GLU A 56 0.401 1.891 4.069 1.00 0.00 C ATOM 772 C GLU A 56 -0.938 2.169 3.358 1.00 0.00 C ATOM 773 O GLU A 56 -0.991 2.353 2.134 1.00 0.00 O ATOM 774 CB GLU A 56 0.624 2.866 5.237 1.00 0.00 C ATOM 775 CG GLU A 56 1.850 2.551 6.110 1.00 0.00 C ATOM 776 CD GLU A 56 1.574 1.443 7.126 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.450 0.251 6.757 1.00 0.00 O ATOM 778 OE2 GLU A 56 1.515 1.725 8.342 1.00 0.00 O ATOM 0 H GLU A 56 1.976 2.889 3.174 1.00 0.00 H new ATOM 0 HA GLU A 56 0.356 0.878 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.729 3.874 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.265 2.865 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.681 2.255 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.159 3.454 6.636 1.00 0.00 H new ATOM 785 N ILE A 57 -2.023 2.195 4.141 1.00 0.00 N ATOM 786 CA ILE A 57 -3.409 2.407 3.736 1.00 0.00 C ATOM 787 C ILE A 57 -4.139 3.300 4.753 1.00 0.00 C ATOM 788 O ILE A 57 -4.186 2.996 5.953 1.00 0.00 O ATOM 789 CB ILE A 57 -4.098 1.028 3.570 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.936 0.089 4.800 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.618 0.362 2.275 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.161 -1.408 4.532 1.00 0.00 C ATOM 0 H ILE A 57 -1.944 2.058 5.149 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.444 2.929 2.780 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.170 1.213 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.932 0.220 5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.635 0.410 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.105 -0.607 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.870 0.996 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.538 0.223 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.023 -1.968 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.174 -1.563 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.445 -1.756 3.787 1.00 0.00 H new ATOM 804 N PHE A 58 -4.763 4.400 4.305 1.00 0.00 N ATOM 805 CA PHE A 58 -5.466 5.320 5.205 1.00 0.00 C ATOM 806 C PHE A 58 -6.788 5.839 4.642 1.00 0.00 C ATOM 807 O PHE A 58 -6.995 5.897 3.435 1.00 0.00 O ATOM 808 CB PHE A 58 -4.565 6.524 5.517 1.00 0.00 C ATOM 809 CG PHE A 58 -3.157 6.184 5.968 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.914 5.532 7.193 1.00 0.00 C ATOM 811 CD2 PHE A 58 -2.078 6.484 5.119 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.597 5.215 7.575 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.765 6.186 5.510 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.519 5.571 6.748 1.00 0.00 C ATOM 0 H PHE A 58 -4.794 4.672 3.322 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.697 4.748 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.502 7.149 4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.042 7.122 6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.740 5.275 7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.261 6.947 4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.415 4.697 8.505 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.060 6.430 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.495 5.373 7.063 1.00 0.00 H new ATOM 824 N CYS A 59 -7.701 6.249 5.540 1.00 0.00 N ATOM 825 CA CYS A 59 -8.996 6.792 5.102 1.00 0.00 C ATOM 826 C CYS A 59 -8.648 8.157 4.475 1.00 0.00 C ATOM 827 O CYS A 59 -7.696 8.793 4.952 1.00 0.00 O ATOM 828 CB CYS A 59 -10.024 7.044 6.246 1.00 0.00 C ATOM 829 SG CYS A 59 -10.070 8.692 6.966 1.00 0.00 S ATOM 0 H CYS A 59 -7.570 6.216 6.551 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.471 6.071 4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.018 6.816 5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.820 6.332 7.046 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.976 8.734 7.897 1.00 0.00 H new ATOM 834 N GLN A 60 -9.465 8.668 3.555 1.00 0.00 N ATOM 835 CA GLN A 60 -9.256 9.952 2.893 1.00 0.00 C ATOM 836 C GLN A 60 -9.058 11.071 3.907 1.00 0.00 C ATOM 837 O GLN A 60 -8.028 11.728 3.851 1.00 0.00 O ATOM 838 CB GLN A 60 -10.377 10.207 1.876 1.00 0.00 C ATOM 839 CG GLN A 60 -10.133 11.436 0.984 1.00 0.00 C ATOM 840 CD GLN A 60 -10.585 12.775 1.575 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.437 12.851 2.464 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.012 13.859 1.089 1.00 0.00 N ATOM 0 H GLN A 60 -10.310 8.189 3.243 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.328 9.926 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.489 9.326 1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.318 10.338 2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.068 11.497 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.648 11.284 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.309 13.779 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.272 14.778 1.448 1.00 0.00 H new ATOM 851 N LYS A 61 -9.942 11.241 4.898 1.00 0.00 N ATOM 852 CA LYS A 61 -9.785 12.297 5.908 1.00 0.00 C ATOM 853 C LYS A 61 -8.397 12.244 6.557 1.00 0.00 C ATOM 854 O LYS A 61 -7.798 13.292 6.766 1.00 0.00 O ATOM 855 CB LYS A 61 -10.948 12.235 6.913 1.00 0.00 C ATOM 856 CG LYS A 61 -11.036 13.419 7.890 1.00 0.00 C ATOM 857 CD LYS A 61 -10.181 13.289 9.156 1.00 0.00 C ATOM 858 CE LYS A 61 -10.606 14.395 10.123 1.00 0.00 C ATOM 859 NZ LYS A 61 -9.665 14.557 11.246 1.00 0.00 N ATOM 0 H LYS A 61 -10.773 10.662 5.023 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.837 13.274 5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.884 12.173 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.859 11.315 7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.740 14.326 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.077 13.548 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.320 12.309 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.122 13.380 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.684 15.337 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.598 14.169 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.999 15.318 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.608 13.668 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.723 14.799 10.878 1.00 0.00 H new ATOM 873 N CYS A 62 -7.920 11.056 6.956 1.00 0.00 N ATOM 874 CA CYS A 62 -6.593 10.901 7.558 1.00 0.00 C ATOM 875 C CYS A 62 -5.480 11.235 6.557 1.00 0.00 C ATOM 876 O CYS A 62 -4.581 11.985 6.918 1.00 0.00 O ATOM 877 CB CYS A 62 -6.354 9.547 8.273 1.00 0.00 C ATOM 878 SG CYS A 62 -6.726 9.521 10.029 1.00 0.00 S ATOM 0 H CYS A 62 -8.441 10.183 6.870 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.559 11.636 8.362 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.958 8.785 7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.310 9.264 8.137 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.487 8.335 10.506 1.00 0.00 H new ATOM 883 N GLY A 63 -5.538 10.719 5.328 1.00 0.00 N ATOM 884 CA GLY A 63 -4.516 11.002 4.322 1.00 0.00 C ATOM 885 C GLY A 63 -4.563 12.448 3.821 1.00 0.00 C ATOM 886 O GLY A 63 -3.612 12.957 3.234 1.00 0.00 O ATOM 0 H GLY A 63 -6.284 10.102 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.531 10.800 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.646 10.325 3.478 1.00 0.00 H new ATOM 890 N SER A 64 -5.672 13.146 4.056 1.00 0.00 N ATOM 891 CA SER A 64 -5.893 14.518 3.660 1.00 0.00 C ATOM 892 C SER A 64 -5.310 15.439 4.748 1.00 0.00 C ATOM 893 O SER A 64 -6.038 16.172 5.430 1.00 0.00 O ATOM 894 CB SER A 64 -7.390 14.705 3.388 1.00 0.00 C ATOM 895 OG SER A 64 -7.718 16.021 2.999 1.00 0.00 O ATOM 0 H SER A 64 -6.470 12.745 4.549 1.00 0.00 H new ATOM 0 HA SER A 64 -5.380 14.782 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.701 14.012 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.952 14.446 4.285 1.00 0.00 H new ATOM 0 HG SER A 64 -8.683 16.083 2.837 1.00 0.00 H new ATOM 901 N GLY A 65 -3.996 15.386 4.949 1.00 0.00 N ATOM 902 CA GLY A 65 -3.273 16.175 5.932 1.00 0.00 C ATOM 903 C GLY A 65 -1.929 16.608 5.367 1.00 0.00 C ATOM 904 O GLY A 65 -1.589 16.278 4.227 1.00 0.00 O ATOM 0 H GLY A 65 -3.387 14.769 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.859 17.051 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.124 15.591 6.840 1.00 0.00 H new ATOM 908 N MET A 66 -1.203 17.416 6.133 1.00 0.00 N ATOM 909 CA MET A 66 0.112 17.906 5.754 1.00 0.00 C ATOM 910 C MET A 66 1.104 16.745 5.837 1.00 0.00 C ATOM 911 O MET A 66 1.265 16.134 6.900 1.00 0.00 O ATOM 912 CB MET A 66 0.536 19.091 6.640 1.00 0.00 C ATOM 913 CG MET A 66 0.642 18.788 8.143 1.00 0.00 C ATOM 914 SD MET A 66 1.021 20.202 9.207 1.00 0.00 S ATOM 915 CE MET A 66 2.597 20.736 8.487 1.00 0.00 C ATOM 0 H MET A 66 -1.517 17.751 7.044 1.00 0.00 H new ATOM 0 HA MET A 66 0.090 18.281 4.731 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.502 19.455 6.291 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.180 19.901 6.500 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.300 18.351 8.474 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.413 18.031 8.288 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.082 21.445 9.158 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.244 19.870 8.345 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.414 21.214 7.525 1.00 0.00 H new ATOM 925 N ASP A 67 1.740 16.406 4.720 1.00 0.00 N ATOM 926 CA ASP A 67 2.725 15.333 4.695 1.00 0.00 C ATOM 927 C ASP A 67 3.900 15.790 5.553 1.00 0.00 C ATOM 928 O ASP A 67 4.363 16.920 5.367 1.00 0.00 O ATOM 929 CB ASP A 67 3.148 15.050 3.255 1.00 0.00 C ATOM 930 CG ASP A 67 4.163 13.920 3.200 1.00 0.00 C ATOM 931 OD1 ASP A 67 3.972 12.919 3.928 1.00 0.00 O ATOM 932 OD2 ASP A 67 5.108 14.027 2.391 1.00 0.00 O ATOM 0 H ASP A 67 1.590 16.860 3.819 1.00 0.00 H new ATOM 0 HA ASP A 67 2.319 14.403 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.273 14.788 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.576 15.950 2.814 1.00 0.00 H new ATOM 937 N THR A 68 4.374 14.972 6.496 1.00 0.00 N ATOM 938 CA THR A 68 5.468 15.347 7.395 1.00 0.00 C ATOM 939 C THR A 68 6.573 14.299 7.565 1.00 0.00 C ATOM 940 O THR A 68 7.697 14.690 7.894 1.00 0.00 O ATOM 941 CB THR A 68 4.870 15.753 8.759 1.00 0.00 C ATOM 942 OG1 THR A 68 3.800 14.900 9.135 1.00 0.00 O ATOM 943 CG2 THR A 68 4.331 17.185 8.755 1.00 0.00 C ATOM 0 H THR A 68 4.011 14.033 6.658 1.00 0.00 H new ATOM 0 HA THR A 68 5.980 16.186 6.923 1.00 0.00 H new ATOM 0 HB THR A 68 5.692 15.671 9.470 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.445 15.183 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.921 17.422 9.737 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.140 17.878 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.547 17.277 8.003 1.00 0.00 H new ATOM 951 N ASP A 69 6.304 12.999 7.404 1.00 0.00 N ATOM 952 CA ASP A 69 7.342 11.976 7.541 1.00 0.00 C ATOM 953 C ASP A 69 8.035 11.855 6.196 1.00 0.00 C ATOM 954 O ASP A 69 7.650 11.057 5.339 1.00 0.00 O ATOM 955 CB ASP A 69 6.850 10.612 8.044 1.00 0.00 C ATOM 956 CG ASP A 69 8.037 9.669 8.311 1.00 0.00 C ATOM 957 OD1 ASP A 69 9.202 10.032 8.050 1.00 0.00 O ATOM 958 OD2 ASP A 69 7.847 8.586 8.922 1.00 0.00 O ATOM 0 H ASP A 69 5.379 12.633 7.179 1.00 0.00 H new ATOM 0 HA ASP A 69 8.029 12.299 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.271 10.743 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.184 10.166 7.306 1.00 0.00 H new ATOM 963 N ILE A 70 9.052 12.686 6.002 1.00 0.00 N ATOM 964 CA ILE A 70 9.831 12.716 4.776 1.00 0.00 C ATOM 965 C ILE A 70 10.703 11.462 4.606 1.00 0.00 C ATOM 966 O ILE A 70 11.381 11.360 3.579 1.00 0.00 O ATOM 967 CB ILE A 70 10.669 14.011 4.709 1.00 0.00 C ATOM 968 CG1 ILE A 70 11.729 14.101 5.830 1.00 0.00 C ATOM 969 CG2 ILE A 70 9.738 15.240 4.727 1.00 0.00 C ATOM 970 CD1 ILE A 70 12.827 15.118 5.505 1.00 0.00 C ATOM 0 H ILE A 70 9.360 13.363 6.700 1.00 0.00 H new ATOM 0 HA ILE A 70 9.134 12.713 3.938 1.00 0.00 H new ATOM 0 HB ILE A 70 11.223 13.991 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.244 14.379 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.178 13.120 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.336 16.150 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.067 15.201 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.152 15.239 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.549 15.147 6.321 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.332 14.827 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.383 16.105 5.379 1.00 0.00 H new ATOM 982 N SER A 71 10.758 10.546 5.579 1.00 0.00 N ATOM 983 CA SER A 71 11.577 9.356 5.444 1.00 0.00 C ATOM 984 C SER A 71 10.882 8.307 4.578 1.00 0.00 C ATOM 985 O SER A 71 9.665 8.131 4.672 1.00 0.00 O ATOM 986 CB SER A 71 11.962 8.812 6.823 1.00 0.00 C ATOM 987 OG SER A 71 10.901 8.233 7.554 1.00 0.00 O ATOM 0 H SER A 71 10.246 10.613 6.459 1.00 0.00 H new ATOM 0 HA SER A 71 12.501 9.623 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.746 8.065 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.388 9.625 7.412 1.00 0.00 H new ATOM 0 HG SER A 71 10.231 8.919 7.757 1.00 0.00 H new ATOM 993 N GLY A 72 11.650 7.571 3.774 1.00 0.00 N ATOM 994 CA GLY A 72 11.104 6.534 2.913 1.00 0.00 C ATOM 995 C GLY A 72 11.916 6.398 1.634 1.00 0.00 C ATOM 996 O GLY A 72 11.664 7.151 0.694 1.00 0.00 O ATOM 0 H GLY A 72 12.662 7.680 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.096 5.583 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.069 6.770 2.666 1.00 0.00 H new ATOM 1000 N PRO A 73 12.923 5.510 1.569 1.00 0.00 N ATOM 1001 CA PRO A 73 13.717 5.333 0.362 1.00 0.00 C ATOM 1002 C PRO A 73 12.877 4.645 -0.718 1.00 0.00 C ATOM 1003 O PRO A 73 11.814 4.081 -0.447 1.00 0.00 O ATOM 1004 CB PRO A 73 14.896 4.453 0.791 1.00 0.00 C ATOM 1005 CG PRO A 73 14.280 3.587 1.888 1.00 0.00 C ATOM 1006 CD PRO A 73 13.343 4.566 2.592 1.00 0.00 C ATOM 0 HA PRO A 73 14.057 6.278 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.276 3.852 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.731 5.046 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.741 2.733 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.036 3.190 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.486 4.048 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.852 5.076 3.410 1.00 0.00 H new ATOM 1014 N SER A 74 13.345 4.706 -1.961 1.00 0.00 N ATOM 1015 CA SER A 74 12.683 4.069 -3.087 1.00 0.00 C ATOM 1016 C SER A 74 13.217 2.632 -3.098 1.00 0.00 C ATOM 1017 O SER A 74 14.428 2.429 -3.298 1.00 0.00 O ATOM 1018 CB SER A 74 13.007 4.828 -4.373 1.00 0.00 C ATOM 1019 OG SER A 74 12.731 6.216 -4.243 1.00 0.00 O ATOM 0 H SER A 74 14.199 5.203 -2.213 1.00 0.00 H new ATOM 0 HA SER A 74 11.596 4.071 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.058 4.687 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.424 4.416 -5.197 1.00 0.00 H new ATOM 0 HG SER A 74 12.950 6.673 -5.082 1.00 0.00 H new ATOM 1025 N SER A 75 12.359 1.635 -2.882 1.00 0.00 N ATOM 1026 CA SER A 75 12.775 0.238 -2.845 1.00 0.00 C ATOM 1027 C SER A 75 11.847 -0.705 -3.608 1.00 0.00 C ATOM 1028 O SER A 75 10.731 -0.351 -4.000 1.00 0.00 O ATOM 1029 CB SER A 75 12.910 -0.199 -1.375 1.00 0.00 C ATOM 1030 OG SER A 75 13.758 0.669 -0.637 1.00 0.00 O ATOM 0 H SER A 75 11.360 1.775 -2.729 1.00 0.00 H new ATOM 0 HA SER A 75 13.735 0.170 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.924 -0.222 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.306 -1.214 -1.333 1.00 0.00 H new ATOM 0 HG SER A 75 13.816 0.359 0.291 1.00 0.00 H new ATOM 1036 N GLY A 76 12.363 -1.907 -3.858 1.00 0.00 N ATOM 1037 CA GLY A 76 11.685 -2.992 -4.540 1.00 0.00 C ATOM 1038 C GLY A 76 10.936 -3.786 -3.491 1.00 0.00 C ATOM 1039 O GLY A 76 9.793 -4.205 -3.765 1.00 0.00 O ATOM 0 H GLY A 76 13.311 -2.156 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.997 -2.603 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.402 -3.626 -5.062 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.628 -10.479 11.976 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -9.238 7.868 9.683 1.00 0.00 ZN