USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=28 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 8 CYS SG : rot 150:sc= -0.125 USER MOD Set 1.2: A 32 HIS : no HD1:sc= -1.26 K(o=-1.4,f=-4.5) USER MOD Set 2.1: A 6 SER OG : rot 133:sc= 1.19 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.155 K(o=1,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -176:sc= -1.47 USER MOD Single : A 12 SER OG : rot 180:sc= -0.188 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 48:sc= 0.0934 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.84) USER MOD Single : A 29 SER OG : rot 62:sc= 0.502 USER MOD Single : A 33 SER OG : rot 103:sc= 1.18 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0148 K(o=-0.015,f=-0.81) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.474 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.575 USER MOD Single : A 42 SER OG : rot -40:sc=0.000556 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.66) USER MOD Single : A 52 THR OG1 : rot 39:sc= 0.0143 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=-1.6!,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 1.03 USER MOD Single : A 60 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 23:sc= 1.14 USER MOD Single : A 66 MET CE :methyl -178:sc= 0 (180deg=-0.00501) USER MOD Single : A 68 THR OG1 : rot 99:sc= 1.3 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 29:sc= 0.999 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.549 -16.460 -4.016 1.00 0.00 N ATOM 2 CA GLY A 1 3.713 -16.911 -3.239 1.00 0.00 C ATOM 3 C GLY A 1 3.548 -18.352 -2.783 1.00 0.00 C ATOM 4 O GLY A 1 3.289 -18.617 -1.611 1.00 0.00 O ATOM 0 H1 GLY A 1 2.691 -15.473 -4.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.438 -17.062 -4.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.693 -16.525 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.615 -16.820 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.846 -16.265 -2.371 1.00 0.00 H new ATOM 8 N SER A 2 3.766 -19.312 -3.685 1.00 0.00 N ATOM 9 CA SER A 2 3.632 -20.747 -3.434 1.00 0.00 C ATOM 10 C SER A 2 4.577 -21.350 -2.383 1.00 0.00 C ATOM 11 O SER A 2 4.422 -22.524 -2.038 1.00 0.00 O ATOM 12 CB SER A 2 3.821 -21.470 -4.769 1.00 0.00 C ATOM 13 OG SER A 2 2.746 -21.159 -5.631 1.00 0.00 O ATOM 0 H SER A 2 4.050 -19.103 -4.642 1.00 0.00 H new ATOM 0 HA SER A 2 2.640 -20.885 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.765 -21.172 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.871 -22.547 -4.607 1.00 0.00 H new ATOM 0 HG SER A 2 2.869 -21.621 -6.487 1.00 0.00 H new ATOM 19 N SER A 3 5.536 -20.597 -1.851 1.00 0.00 N ATOM 20 CA SER A 3 6.480 -21.101 -0.863 1.00 0.00 C ATOM 21 C SER A 3 5.862 -21.365 0.524 1.00 0.00 C ATOM 22 O SER A 3 6.517 -22.015 1.343 1.00 0.00 O ATOM 23 CB SER A 3 7.639 -20.108 -0.763 1.00 0.00 C ATOM 24 OG SER A 3 8.047 -19.669 -2.050 1.00 0.00 O ATOM 0 H SER A 3 5.679 -19.617 -2.095 1.00 0.00 H new ATOM 0 HA SER A 3 6.825 -22.077 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.337 -19.251 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.480 -20.576 -0.251 1.00 0.00 H new ATOM 0 HG SER A 3 8.788 -19.034 -1.959 1.00 0.00 H new ATOM 30 N GLY A 4 4.649 -20.889 0.830 1.00 0.00 N ATOM 31 CA GLY A 4 4.028 -21.113 2.133 1.00 0.00 C ATOM 32 C GLY A 4 2.649 -20.465 2.230 1.00 0.00 C ATOM 33 O GLY A 4 2.163 -19.882 1.260 1.00 0.00 O ATOM 0 H GLY A 4 4.078 -20.343 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.938 -22.184 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.673 -20.712 2.915 1.00 0.00 H new ATOM 37 N SER A 5 2.005 -20.594 3.392 1.00 0.00 N ATOM 38 CA SER A 5 0.681 -20.049 3.692 1.00 0.00 C ATOM 39 C SER A 5 0.833 -18.876 4.679 1.00 0.00 C ATOM 40 O SER A 5 1.955 -18.572 5.106 1.00 0.00 O ATOM 41 CB SER A 5 -0.199 -21.208 4.196 1.00 0.00 C ATOM 42 OG SER A 5 -1.564 -20.867 4.355 1.00 0.00 O ATOM 0 H SER A 5 2.408 -21.101 4.180 1.00 0.00 H new ATOM 0 HA SER A 5 0.185 -19.631 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.122 -22.040 3.496 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.191 -21.558 5.152 1.00 0.00 H new ATOM 0 HG SER A 5 -2.061 -21.649 4.675 1.00 0.00 H new ATOM 48 N SER A 6 -0.269 -18.193 4.999 1.00 0.00 N ATOM 49 CA SER A 6 -0.324 -17.053 5.908 1.00 0.00 C ATOM 50 C SER A 6 -1.748 -16.853 6.450 1.00 0.00 C ATOM 51 O SER A 6 -2.666 -17.612 6.121 1.00 0.00 O ATOM 52 CB SER A 6 0.207 -15.800 5.187 1.00 0.00 C ATOM 53 OG SER A 6 -0.360 -15.630 3.899 1.00 0.00 O ATOM 0 H SER A 6 -1.183 -18.432 4.614 1.00 0.00 H new ATOM 0 HA SER A 6 0.313 -17.243 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.006 -14.919 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.291 -15.870 5.096 1.00 0.00 H new ATOM 0 HG SER A 6 -0.653 -14.701 3.790 1.00 0.00 H new ATOM 59 N GLY A 7 -1.935 -15.846 7.305 1.00 0.00 N ATOM 60 CA GLY A 7 -3.200 -15.482 7.927 1.00 0.00 C ATOM 61 C GLY A 7 -3.435 -13.974 7.820 1.00 0.00 C ATOM 62 O GLY A 7 -2.564 -13.259 7.342 1.00 0.00 O ATOM 0 H GLY A 7 -1.170 -15.236 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.017 -16.019 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.196 -15.782 8.975 1.00 0.00 H new ATOM 66 N CYS A 8 -4.596 -13.474 8.283 1.00 0.00 N ATOM 67 CA CYS A 8 -4.973 -12.047 8.234 1.00 0.00 C ATOM 68 C CYS A 8 -3.787 -11.168 8.631 1.00 0.00 C ATOM 69 O CYS A 8 -3.431 -11.238 9.795 1.00 0.00 O ATOM 70 CB CYS A 8 -6.167 -11.720 9.186 1.00 0.00 C ATOM 71 SG CYS A 8 -6.798 -10.049 8.879 1.00 0.00 S ATOM 0 H CYS A 8 -5.313 -14.061 8.710 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.276 -11.840 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.965 -12.448 9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.845 -11.807 10.224 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.067 -10.006 9.158 1.00 0.00 H new ATOM 76 N VAL A 9 -3.260 -10.281 7.790 1.00 0.00 N ATOM 77 CA VAL A 9 -2.119 -9.409 8.111 1.00 0.00 C ATOM 78 C VAL A 9 -2.304 -8.689 9.459 1.00 0.00 C ATOM 79 O VAL A 9 -1.346 -8.445 10.188 1.00 0.00 O ATOM 80 CB VAL A 9 -1.940 -8.384 6.971 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.829 -7.367 7.259 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.650 -9.029 5.614 1.00 0.00 C ATOM 0 H VAL A 9 -3.618 -10.141 6.845 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.226 -10.027 8.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.902 -7.875 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.747 -6.671 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.067 -6.816 8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.118 -7.890 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.535 -8.252 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.731 -9.612 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.477 -9.684 5.338 1.00 0.00 H new ATOM 92 N ALA A 10 -3.554 -8.391 9.822 1.00 0.00 N ATOM 93 CA ALA A 10 -3.948 -7.702 11.042 1.00 0.00 C ATOM 94 C ALA A 10 -4.107 -8.585 12.295 1.00 0.00 C ATOM 95 O ALA A 10 -4.478 -8.052 13.338 1.00 0.00 O ATOM 96 CB ALA A 10 -5.303 -7.063 10.754 1.00 0.00 C ATOM 0 H ALA A 10 -4.355 -8.638 9.240 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.146 -7.004 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.649 -6.530 11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.206 -6.364 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.023 -7.839 10.493 1.00 0.00 H new ATOM 102 N CYS A 11 -3.993 -9.918 12.208 1.00 0.00 N ATOM 103 CA CYS A 11 -4.154 -10.801 13.376 1.00 0.00 C ATOM 104 C CYS A 11 -3.492 -12.190 13.246 1.00 0.00 C ATOM 105 O CYS A 11 -3.461 -12.978 14.188 1.00 0.00 O ATOM 106 CB CYS A 11 -5.663 -10.978 13.633 1.00 0.00 C ATOM 107 SG CYS A 11 -6.476 -12.317 12.731 1.00 0.00 S ATOM 0 H CYS A 11 -3.789 -10.411 11.339 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.639 -10.317 14.205 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.811 -11.145 14.700 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.165 -10.043 13.383 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.752 -12.296 12.980 1.00 0.00 H new ATOM 112 N SER A 12 -2.984 -12.524 12.066 1.00 0.00 N ATOM 113 CA SER A 12 -2.330 -13.755 11.638 1.00 0.00 C ATOM 114 C SER A 12 -3.210 -15.018 11.714 1.00 0.00 C ATOM 115 O SER A 12 -2.684 -16.124 11.651 1.00 0.00 O ATOM 116 CB SER A 12 -0.908 -13.895 12.219 1.00 0.00 C ATOM 117 OG SER A 12 -0.697 -13.132 13.401 1.00 0.00 O ATOM 0 H SER A 12 -3.026 -11.858 11.294 1.00 0.00 H new ATOM 0 HA SER A 12 -2.184 -13.656 10.562 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.715 -14.946 12.436 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.184 -13.587 11.464 1.00 0.00 H new ATOM 0 HG SER A 12 0.221 -13.266 13.718 1.00 0.00 H new ATOM 123 N LYS A 13 -4.542 -14.904 11.868 1.00 0.00 N ATOM 124 CA LYS A 13 -5.379 -16.106 11.916 1.00 0.00 C ATOM 125 C LYS A 13 -5.576 -16.620 10.494 1.00 0.00 C ATOM 126 O LYS A 13 -5.659 -15.797 9.573 1.00 0.00 O ATOM 127 CB LYS A 13 -6.741 -15.883 12.575 1.00 0.00 C ATOM 128 CG LYS A 13 -6.583 -15.881 14.100 1.00 0.00 C ATOM 129 CD LYS A 13 -7.927 -15.776 14.827 1.00 0.00 C ATOM 130 CE LYS A 13 -8.629 -14.451 14.512 1.00 0.00 C ATOM 131 NZ LYS A 13 -9.809 -14.223 15.363 1.00 0.00 N ATOM 0 H LYS A 13 -5.044 -14.021 11.958 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.858 -16.836 12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.166 -14.936 12.243 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.435 -16.667 12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.075 -16.794 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.947 -15.046 14.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.567 -16.608 14.534 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.769 -15.859 15.902 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.925 -13.630 14.645 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.933 -14.444 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.248 -13.315 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.495 -14.991 15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.518 -14.202 16.361 1.00 0.00 H new ATOM 145 N PRO A 14 -5.685 -17.942 10.314 1.00 0.00 N ATOM 146 CA PRO A 14 -5.859 -18.555 9.013 1.00 0.00 C ATOM 147 C PRO A 14 -7.260 -18.266 8.481 1.00 0.00 C ATOM 148 O PRO A 14 -8.276 -18.551 9.134 1.00 0.00 O ATOM 149 CB PRO A 14 -5.591 -20.043 9.224 1.00 0.00 C ATOM 150 CG PRO A 14 -5.941 -20.277 10.690 1.00 0.00 C ATOM 151 CD PRO A 14 -5.611 -18.950 11.359 1.00 0.00 C ATOM 0 HA PRO A 14 -5.178 -18.158 8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.205 -20.657 8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.551 -20.294 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.992 -20.537 10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.359 -21.095 11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.316 -18.732 12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.617 -18.976 11.806 1.00 0.00 H new ATOM 159 N ILE A 15 -7.309 -17.609 7.325 1.00 0.00 N ATOM 160 CA ILE A 15 -8.542 -17.251 6.640 1.00 0.00 C ATOM 161 C ILE A 15 -9.203 -18.563 6.189 1.00 0.00 C ATOM 162 O ILE A 15 -8.504 -19.493 5.778 1.00 0.00 O ATOM 163 CB ILE A 15 -8.231 -16.346 5.420 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.291 -15.148 5.701 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.526 -15.846 4.749 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.778 -14.070 6.651 1.00 0.00 C ATOM 0 H ILE A 15 -6.471 -17.305 6.829 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.209 -16.694 7.298 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.681 -16.999 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.355 -15.543 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.060 -14.674 4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.274 -15.214 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.112 -16.699 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.109 -15.270 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.014 -13.299 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.693 -13.626 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.977 -14.509 7.628 1.00 0.00 H new ATOM 178 N SER A 16 -10.529 -18.663 6.290 1.00 0.00 N ATOM 179 CA SER A 16 -11.284 -19.840 5.870 1.00 0.00 C ATOM 180 C SER A 16 -11.481 -19.705 4.356 1.00 0.00 C ATOM 181 O SER A 16 -12.526 -19.216 3.910 1.00 0.00 O ATOM 182 CB SER A 16 -12.595 -19.909 6.661 1.00 0.00 C ATOM 183 OG SER A 16 -13.220 -18.632 6.722 1.00 0.00 O ATOM 0 H SER A 16 -11.114 -17.919 6.670 1.00 0.00 H new ATOM 0 HA SER A 16 -10.768 -20.778 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.269 -20.626 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.397 -20.270 7.670 1.00 0.00 H new ATOM 0 HG SER A 16 -13.242 -18.235 5.826 1.00 0.00 H new ATOM 189 N GLY A 17 -10.420 -20.055 3.625 1.00 0.00 N ATOM 190 CA GLY A 17 -10.207 -20.053 2.186 1.00 0.00 C ATOM 191 C GLY A 17 -11.239 -19.265 1.401 1.00 0.00 C ATOM 192 O GLY A 17 -11.151 -18.046 1.300 1.00 0.00 O ATOM 0 H GLY A 17 -9.581 -20.390 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.219 -19.643 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.206 -21.083 1.830 1.00 0.00 H new ATOM 196 N LEU A 18 -12.181 -19.983 0.798 1.00 0.00 N ATOM 197 CA LEU A 18 -13.278 -19.462 -0.004 1.00 0.00 C ATOM 198 C LEU A 18 -14.576 -20.054 0.564 1.00 0.00 C ATOM 199 O LEU A 18 -15.565 -20.207 -0.151 1.00 0.00 O ATOM 200 CB LEU A 18 -13.090 -19.789 -1.505 1.00 0.00 C ATOM 201 CG LEU A 18 -11.865 -19.142 -2.194 1.00 0.00 C ATOM 202 CD1 LEU A 18 -10.568 -19.937 -1.974 1.00 0.00 C ATOM 203 CD2 LEU A 18 -12.105 -19.021 -3.703 1.00 0.00 C ATOM 0 H LEU A 18 -12.199 -21.001 0.861 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.312 -18.374 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.013 -20.871 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.988 -19.478 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.745 -18.159 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.743 -19.435 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.355 -19.998 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.684 -20.942 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.235 -18.564 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.268 -20.012 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.983 -18.401 -3.883 1.00 0.00 H new ATOM 215 N THR A 19 -14.610 -20.335 1.868 1.00 0.00 N ATOM 216 CA THR A 19 -15.730 -20.927 2.594 1.00 0.00 C ATOM 217 C THR A 19 -16.960 -19.998 2.673 1.00 0.00 C ATOM 218 O THR A 19 -18.042 -20.430 3.081 1.00 0.00 O ATOM 219 CB THR A 19 -15.191 -21.320 3.987 1.00 0.00 C ATOM 220 OG1 THR A 19 -13.980 -22.046 3.832 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.170 -22.162 4.796 1.00 0.00 C ATOM 0 H THR A 19 -13.814 -20.145 2.476 1.00 0.00 H new ATOM 0 HA THR A 19 -16.102 -21.804 2.063 1.00 0.00 H new ATOM 0 HB THR A 19 -15.032 -20.393 4.537 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.633 -22.296 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.729 -22.403 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.093 -21.602 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.389 -23.084 4.257 1.00 0.00 H new ATOM 229 N GLY A 20 -16.842 -18.743 2.230 1.00 0.00 N ATOM 230 CA GLY A 20 -17.920 -17.761 2.251 1.00 0.00 C ATOM 231 C GLY A 20 -17.662 -16.584 3.192 1.00 0.00 C ATOM 232 O GLY A 20 -18.594 -15.838 3.491 1.00 0.00 O ATOM 0 H GLY A 20 -15.974 -18.377 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -18.072 -17.380 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.845 -18.256 2.548 1.00 0.00 H new ATOM 236 N ALA A 21 -16.446 -16.446 3.733 1.00 0.00 N ATOM 237 CA ALA A 21 -16.093 -15.345 4.625 1.00 0.00 C ATOM 238 C ALA A 21 -15.896 -14.064 3.803 1.00 0.00 C ATOM 239 O ALA A 21 -15.621 -14.140 2.602 1.00 0.00 O ATOM 240 CB ALA A 21 -14.806 -15.703 5.378 1.00 0.00 C ATOM 0 H ALA A 21 -15.680 -17.098 3.562 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.892 -15.177 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.536 -14.885 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.966 -16.610 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.000 -15.868 4.663 1.00 0.00 H new ATOM 246 N LYS A 22 -15.978 -12.889 4.435 1.00 0.00 N ATOM 247 CA LYS A 22 -15.792 -11.607 3.752 1.00 0.00 C ATOM 248 C LYS A 22 -14.349 -11.182 3.982 1.00 0.00 C ATOM 249 O LYS A 22 -13.965 -10.849 5.110 1.00 0.00 O ATOM 250 CB LYS A 22 -16.810 -10.558 4.236 1.00 0.00 C ATOM 251 CG LYS A 22 -17.396 -9.777 3.049 1.00 0.00 C ATOM 252 CD LYS A 22 -18.364 -8.678 3.516 1.00 0.00 C ATOM 253 CE LYS A 22 -19.489 -8.421 2.504 1.00 0.00 C ATOM 254 NZ LYS A 22 -19.027 -7.891 1.207 1.00 0.00 N ATOM 0 H LYS A 22 -16.175 -12.801 5.432 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.976 -11.705 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.613 -11.050 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.327 -9.868 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.587 -9.329 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.919 -10.464 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.799 -8.964 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.809 -7.754 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.027 -9.353 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.200 -7.718 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.844 -7.745 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.539 -6.985 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.372 -8.569 0.768 1.00 0.00 H new ATOM 268 N PHE A 23 -13.527 -11.230 2.941 1.00 0.00 N ATOM 269 CA PHE A 23 -12.121 -10.865 3.011 1.00 0.00 C ATOM 270 C PHE A 23 -11.740 -9.976 1.831 1.00 0.00 C ATOM 271 O PHE A 23 -12.487 -9.846 0.858 1.00 0.00 O ATOM 272 CB PHE A 23 -11.260 -12.130 3.137 1.00 0.00 C ATOM 273 CG PHE A 23 -11.453 -13.183 2.058 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.670 -13.180 0.886 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.402 -14.203 2.253 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.812 -14.208 -0.065 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.572 -15.207 1.287 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.772 -15.214 0.134 1.00 0.00 C ATOM 0 H PHE A 23 -13.824 -11.528 2.012 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.932 -10.270 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.212 -11.832 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.465 -12.589 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.958 -12.386 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -13.003 -14.214 3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.185 -14.223 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.318 -15.974 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.895 -15.995 -0.602 1.00 0.00 H new ATOM 288 N ILE A 24 -10.592 -9.322 1.955 1.00 0.00 N ATOM 289 CA ILE A 24 -9.995 -8.406 1.001 1.00 0.00 C ATOM 290 C ILE A 24 -8.614 -8.971 0.671 1.00 0.00 C ATOM 291 O ILE A 24 -7.970 -9.578 1.533 1.00 0.00 O ATOM 292 CB ILE A 24 -9.866 -6.981 1.606 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.002 -6.521 2.556 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.662 -5.946 0.484 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.386 -6.366 1.919 1.00 0.00 C ATOM 0 H ILE A 24 -10.014 -9.429 2.788 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.613 -8.316 0.108 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.991 -7.047 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.078 -7.238 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.717 -5.565 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.573 -4.951 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.753 -6.183 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.516 -5.971 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.100 -6.041 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.339 -5.624 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.706 -7.323 1.506 1.00 0.00 H new ATOM 307 N CYS A 25 -8.169 -8.792 -0.568 1.00 0.00 N ATOM 308 CA CYS A 25 -6.873 -9.235 -1.043 1.00 0.00 C ATOM 309 C CYS A 25 -6.229 -8.000 -1.653 1.00 0.00 C ATOM 310 O CYS A 25 -6.655 -7.550 -2.717 1.00 0.00 O ATOM 311 CB CYS A 25 -6.969 -10.434 -1.999 1.00 0.00 C ATOM 312 SG CYS A 25 -8.367 -10.337 -3.162 1.00 0.00 S ATOM 0 H CYS A 25 -8.719 -8.321 -1.286 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.254 -9.627 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.041 -10.510 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.059 -11.348 -1.412 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.367 -11.387 -3.929 1.00 0.00 H new ATOM 318 N PHE A 26 -5.295 -7.390 -0.929 1.00 0.00 N ATOM 319 CA PHE A 26 -4.576 -6.199 -1.347 1.00 0.00 C ATOM 320 C PHE A 26 -3.109 -6.587 -1.323 1.00 0.00 C ATOM 321 O PHE A 26 -2.633 -7.088 -0.304 1.00 0.00 O ATOM 322 CB PHE A 26 -4.901 -5.014 -0.425 1.00 0.00 C ATOM 323 CG PHE A 26 -4.146 -3.746 -0.783 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.660 -2.864 -1.754 1.00 0.00 C ATOM 325 CD2 PHE A 26 -2.913 -3.459 -0.168 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.940 -1.708 -2.110 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.189 -2.313 -0.535 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.696 -1.441 -1.511 1.00 0.00 C ATOM 0 H PHE A 26 -5.012 -7.724 -0.008 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.863 -5.864 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.972 -4.814 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.667 -5.289 0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.608 -3.075 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.522 -4.123 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.343 -1.026 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.240 -2.102 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.132 -0.567 -1.801 1.00 0.00 H new ATOM 338 N GLN A 27 -2.396 -6.356 -2.428 1.00 0.00 N ATOM 339 CA GLN A 27 -0.984 -6.700 -2.575 1.00 0.00 C ATOM 340 C GLN A 27 -0.796 -8.184 -2.217 1.00 0.00 C ATOM 341 O GLN A 27 0.105 -8.550 -1.465 1.00 0.00 O ATOM 342 CB GLN A 27 -0.115 -5.709 -1.768 1.00 0.00 C ATOM 343 CG GLN A 27 1.369 -5.705 -2.166 1.00 0.00 C ATOM 344 CD GLN A 27 1.551 -5.328 -3.633 1.00 0.00 C ATOM 345 OE1 GLN A 27 1.545 -6.178 -4.521 1.00 0.00 O ATOM 346 NE2 GLN A 27 1.665 -4.047 -3.942 1.00 0.00 N ATOM 0 H GLN A 27 -2.793 -5.917 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.644 -6.594 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.517 -4.704 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.195 -5.952 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.914 -5.001 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.798 -6.691 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.670 -3.343 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.748 -3.763 -4.918 1.00 0.00 H new ATOM 355 N ASP A 28 -1.715 -9.025 -2.714 1.00 0.00 N ATOM 356 CA ASP A 28 -1.806 -10.484 -2.526 1.00 0.00 C ATOM 357 C ASP A 28 -1.883 -10.934 -1.050 1.00 0.00 C ATOM 358 O ASP A 28 -1.971 -12.125 -0.741 1.00 0.00 O ATOM 359 CB ASP A 28 -0.691 -11.184 -3.314 1.00 0.00 C ATOM 360 CG ASP A 28 -0.853 -12.704 -3.352 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.937 -13.196 -3.762 1.00 0.00 O ATOM 362 OD2 ASP A 28 0.147 -13.404 -3.076 1.00 0.00 O ATOM 0 H ASP A 28 -2.472 -8.678 -3.303 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.766 -10.799 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.677 -10.800 -4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.272 -10.937 -2.868 1.00 0.00 H new ATOM 367 N SER A 29 -1.871 -9.988 -0.116 1.00 0.00 N ATOM 368 CA SER A 29 -1.940 -10.205 1.315 1.00 0.00 C ATOM 369 C SER A 29 -3.418 -10.315 1.702 1.00 0.00 C ATOM 370 O SER A 29 -4.286 -9.785 0.999 1.00 0.00 O ATOM 371 CB SER A 29 -1.216 -9.048 1.996 1.00 0.00 C ATOM 372 OG SER A 29 0.064 -8.833 1.414 1.00 0.00 O ATOM 0 H SER A 29 -1.809 -8.998 -0.356 1.00 0.00 H new ATOM 0 HA SER A 29 -1.452 -11.127 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.814 -8.141 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.105 -9.260 3.059 1.00 0.00 H new ATOM 0 HG SER A 29 -0.042 -8.594 0.469 1.00 0.00 H new ATOM 378 N GLN A 30 -3.714 -10.972 2.825 1.00 0.00 N ATOM 379 CA GLN A 30 -5.084 -11.191 3.278 1.00 0.00 C ATOM 380 C GLN A 30 -5.544 -10.303 4.433 1.00 0.00 C ATOM 381 O GLN A 30 -4.898 -10.238 5.478 1.00 0.00 O ATOM 382 CB GLN A 30 -5.296 -12.675 3.647 1.00 0.00 C ATOM 383 CG GLN A 30 -4.167 -13.379 4.418 1.00 0.00 C ATOM 384 CD GLN A 30 -2.954 -13.752 3.564 1.00 0.00 C ATOM 385 OE1 GLN A 30 -1.833 -13.386 3.885 1.00 0.00 O ATOM 386 NE2 GLN A 30 -3.121 -14.476 2.471 1.00 0.00 N ATOM 0 H GLN A 30 -3.007 -11.367 3.445 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.705 -10.906 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.207 -12.748 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.472 -13.230 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.839 -12.730 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.566 -14.284 4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.055 -14.783 2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.316 -14.728 1.898 1.00 0.00 H new ATOM 395 N TRP A 31 -6.711 -9.675 4.281 1.00 0.00 N ATOM 396 CA TRP A 31 -7.332 -8.825 5.289 1.00 0.00 C ATOM 397 C TRP A 31 -8.798 -9.218 5.436 1.00 0.00 C ATOM 398 O TRP A 31 -9.450 -9.649 4.491 1.00 0.00 O ATOM 399 CB TRP A 31 -7.176 -7.337 4.962 1.00 0.00 C ATOM 400 CG TRP A 31 -5.927 -6.710 5.501 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.728 -6.339 6.788 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.716 -6.322 4.784 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.499 -5.726 6.912 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.844 -5.663 5.700 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.280 -6.431 3.448 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.611 -5.127 5.306 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.041 -5.901 3.044 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.207 -5.247 3.966 1.00 0.00 C ATOM 0 H TRP A 31 -7.264 -9.748 3.427 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.822 -8.979 6.240 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.192 -7.212 3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.037 -6.799 5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.427 -6.499 7.596 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.122 -5.365 7.789 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.907 -6.929 2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.978 -4.627 6.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.728 -5.998 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.260 -4.838 3.646 1.00 0.00 H new ATOM 419 N HIS A 32 -9.317 -9.132 6.657 1.00 0.00 N ATOM 420 CA HIS A 32 -10.710 -9.446 6.969 1.00 0.00 C ATOM 421 C HIS A 32 -11.486 -8.127 7.021 1.00 0.00 C ATOM 422 O HIS A 32 -10.864 -7.090 7.259 1.00 0.00 O ATOM 423 CB HIS A 32 -10.801 -10.073 8.356 1.00 0.00 C ATOM 424 CG HIS A 32 -10.236 -11.451 8.598 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.441 -11.763 9.718 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.586 -12.597 7.938 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.399 -13.111 9.733 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.077 -13.628 8.697 1.00 0.00 N ATOM 0 H HIS A 32 -8.775 -8.838 7.470 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.107 -10.130 6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.309 -9.394 9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.855 -10.102 8.631 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.144 -12.677 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.887 -13.698 10.481 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.196 -14.622 8.503 1.00 0.00 H new ATOM 436 N SER A 33 -12.818 -8.158 6.912 1.00 0.00 N ATOM 437 CA SER A 33 -13.669 -6.968 6.952 1.00 0.00 C ATOM 438 C SER A 33 -13.395 -6.118 8.199 1.00 0.00 C ATOM 439 O SER A 33 -13.006 -4.955 8.100 1.00 0.00 O ATOM 440 CB SER A 33 -15.146 -7.394 6.868 1.00 0.00 C ATOM 441 OG SER A 33 -15.451 -8.414 7.811 1.00 0.00 O ATOM 0 H SER A 33 -13.342 -9.025 6.792 1.00 0.00 H new ATOM 0 HA SER A 33 -13.435 -6.339 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.785 -6.529 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.366 -7.750 5.862 1.00 0.00 H new ATOM 0 HG SER A 33 -15.932 -8.024 8.570 1.00 0.00 H new ATOM 447 N GLU A 34 -13.489 -6.729 9.381 1.00 0.00 N ATOM 448 CA GLU A 34 -13.282 -6.084 10.681 1.00 0.00 C ATOM 449 C GLU A 34 -11.827 -5.645 10.908 1.00 0.00 C ATOM 450 O GLU A 34 -11.516 -5.051 11.937 1.00 0.00 O ATOM 451 CB GLU A 34 -13.702 -7.021 11.832 1.00 0.00 C ATOM 452 CG GLU A 34 -14.951 -7.876 11.578 1.00 0.00 C ATOM 453 CD GLU A 34 -16.107 -7.061 11.006 1.00 0.00 C ATOM 454 OE1 GLU A 34 -16.532 -6.092 11.673 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.571 -7.413 9.896 1.00 0.00 O ATOM 0 H GLU A 34 -13.719 -7.719 9.464 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.907 -5.191 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.869 -7.687 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.874 -6.416 12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.702 -8.682 10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.265 -8.342 12.512 1.00 0.00 H new ATOM 462 N CYS A 35 -10.918 -5.954 9.983 1.00 0.00 N ATOM 463 CA CYS A 35 -9.500 -5.627 10.065 1.00 0.00 C ATOM 464 C CYS A 35 -9.006 -4.768 8.892 1.00 0.00 C ATOM 465 O CYS A 35 -7.796 -4.679 8.695 1.00 0.00 O ATOM 466 CB CYS A 35 -8.715 -6.930 10.297 1.00 0.00 C ATOM 467 SG CYS A 35 -8.542 -7.225 12.061 1.00 0.00 S ATOM 0 H CYS A 35 -11.160 -6.456 9.128 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.320 -4.974 10.919 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.233 -7.767 9.827 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.732 -6.862 9.832 1.00 0.00 H new ATOM 0 HG CYS A 35 -7.881 -8.327 12.254 1.00 0.00 H new ATOM 472 N PHE A 36 -9.916 -4.169 8.122 1.00 0.00 N ATOM 473 CA PHE A 36 -9.633 -3.297 6.993 1.00 0.00 C ATOM 474 C PHE A 36 -9.996 -1.902 7.516 1.00 0.00 C ATOM 475 O PHE A 36 -11.190 -1.586 7.629 1.00 0.00 O ATOM 476 CB PHE A 36 -10.444 -3.797 5.792 1.00 0.00 C ATOM 477 CG PHE A 36 -10.118 -3.154 4.462 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.928 -3.493 3.790 1.00 0.00 C ATOM 479 CD2 PHE A 36 -11.030 -2.270 3.860 1.00 0.00 C ATOM 480 CE1 PHE A 36 -8.659 -2.949 2.522 1.00 0.00 C ATOM 481 CE2 PHE A 36 -10.753 -1.715 2.600 1.00 0.00 C ATOM 482 CZ PHE A 36 -9.566 -2.054 1.930 1.00 0.00 C ATOM 0 H PHE A 36 -10.917 -4.288 8.281 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.604 -3.280 6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.295 -4.873 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.502 -3.638 6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.223 -4.170 4.248 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.948 -2.016 4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.752 -3.220 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.452 -1.028 2.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.351 -1.627 0.961 1.00 0.00 H new ATOM 492 N ASN A 37 -9.000 -1.092 7.909 1.00 0.00 N ATOM 493 CA ASN A 37 -9.221 0.246 8.475 1.00 0.00 C ATOM 494 C ASN A 37 -8.032 1.226 8.362 1.00 0.00 C ATOM 495 O ASN A 37 -6.912 0.816 8.063 1.00 0.00 O ATOM 496 CB ASN A 37 -9.571 0.076 9.960 1.00 0.00 C ATOM 497 CG ASN A 37 -8.518 -0.679 10.753 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.452 -0.145 11.042 1.00 0.00 O ATOM 499 ND2 ASN A 37 -8.797 -1.921 11.109 1.00 0.00 N ATOM 0 H ASN A 37 -8.015 -1.349 7.842 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.022 0.694 7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.712 1.061 10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.522 -0.451 10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.116 -2.464 11.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.693 -2.336 10.853 1.00 0.00 H new ATOM 506 N CYS A 38 -8.270 2.532 8.619 1.00 0.00 N ATOM 507 CA CYS A 38 -7.248 3.595 8.561 1.00 0.00 C ATOM 508 C CYS A 38 -6.195 3.358 9.637 1.00 0.00 C ATOM 509 O CYS A 38 -6.546 3.501 10.804 1.00 0.00 O ATOM 510 CB CYS A 38 -7.829 5.023 8.824 1.00 0.00 C ATOM 511 SG CYS A 38 -6.560 6.278 8.536 1.00 0.00 S ATOM 0 H CYS A 38 -9.194 2.880 8.877 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.836 3.554 7.553 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.683 5.202 8.170 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.193 5.092 9.849 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.059 7.458 8.757 1.00 0.00 H new ATOM 516 N GLY A 39 -4.918 3.197 9.293 1.00 0.00 N ATOM 517 CA GLY A 39 -3.883 2.957 10.312 1.00 0.00 C ATOM 518 C GLY A 39 -3.794 4.047 11.398 1.00 0.00 C ATOM 519 O GLY A 39 -3.469 3.774 12.553 1.00 0.00 O ATOM 0 H GLY A 39 -4.573 3.227 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.078 1.998 10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.915 2.874 9.817 1.00 0.00 H new ATOM 523 N LYS A 40 -4.155 5.292 11.068 1.00 0.00 N ATOM 524 CA LYS A 40 -4.101 6.428 11.995 1.00 0.00 C ATOM 525 C LYS A 40 -5.271 6.547 12.961 1.00 0.00 C ATOM 526 O LYS A 40 -5.183 7.302 13.923 1.00 0.00 O ATOM 527 CB LYS A 40 -4.020 7.733 11.186 1.00 0.00 C ATOM 528 CG LYS A 40 -2.579 8.012 10.759 1.00 0.00 C ATOM 529 CD LYS A 40 -2.438 9.427 10.190 1.00 0.00 C ATOM 530 CE LYS A 40 -1.014 9.781 9.744 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.041 9.802 10.855 1.00 0.00 N ATOM 0 H LYS A 40 -4.497 5.542 10.140 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.218 6.249 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.659 7.662 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.395 8.563 11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.913 7.892 11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.270 7.283 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.111 9.534 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.760 10.145 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.685 9.059 8.996 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.024 10.758 9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.900 10.047 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.333 10.510 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.004 8.864 11.302 1.00 0.00 H new ATOM 545 N CYS A 41 -6.407 5.918 12.667 1.00 0.00 N ATOM 546 CA CYS A 41 -7.576 6.017 13.529 1.00 0.00 C ATOM 547 C CYS A 41 -8.397 4.751 13.755 1.00 0.00 C ATOM 548 O CYS A 41 -9.140 4.715 14.730 1.00 0.00 O ATOM 549 CB CYS A 41 -8.476 7.085 12.922 1.00 0.00 C ATOM 550 SG CYS A 41 -9.543 6.528 11.586 1.00 0.00 S ATOM 0 H CYS A 41 -6.540 5.336 11.840 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.192 6.249 14.522 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.100 7.502 13.712 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.849 7.895 12.550 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.258 7.525 11.157 1.00 0.00 H new ATOM 555 N SER A 42 -8.331 3.771 12.853 1.00 0.00 N ATOM 556 CA SER A 42 -9.046 2.496 12.904 1.00 0.00 C ATOM 557 C SER A 42 -10.455 2.527 12.272 1.00 0.00 C ATOM 558 O SER A 42 -11.159 1.519 12.322 1.00 0.00 O ATOM 559 CB SER A 42 -9.014 1.904 14.330 1.00 0.00 C ATOM 560 OG SER A 42 -9.086 0.495 14.359 1.00 0.00 O ATOM 0 H SER A 42 -7.745 3.850 12.022 1.00 0.00 H new ATOM 0 HA SER A 42 -8.502 1.809 12.256 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.097 2.223 14.826 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.846 2.314 14.903 1.00 0.00 H new ATOM 0 HG SER A 42 -9.727 0.186 13.685 1.00 0.00 H new ATOM 566 N VAL A 43 -10.871 3.617 11.605 1.00 0.00 N ATOM 567 CA VAL A 43 -12.192 3.680 10.965 1.00 0.00 C ATOM 568 C VAL A 43 -12.220 2.608 9.882 1.00 0.00 C ATOM 569 O VAL A 43 -11.246 2.492 9.124 1.00 0.00 O ATOM 570 CB VAL A 43 -12.524 5.077 10.379 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.814 5.401 9.049 1.00 0.00 C ATOM 572 CG2 VAL A 43 -14.027 5.253 10.134 1.00 0.00 C ATOM 0 H VAL A 43 -10.312 4.463 11.496 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.960 3.502 11.717 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.160 5.762 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.105 6.397 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.734 5.369 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.100 4.667 8.296 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.215 6.245 9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.372 4.497 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.565 5.142 11.076 1.00 0.00 H new ATOM 582 N SER A 44 -13.313 1.857 9.812 1.00 0.00 N ATOM 583 CA SER A 44 -13.494 0.810 8.834 1.00 0.00 C ATOM 584 C SER A 44 -13.422 1.442 7.451 1.00 0.00 C ATOM 585 O SER A 44 -14.022 2.496 7.201 1.00 0.00 O ATOM 586 CB SER A 44 -14.847 0.121 9.046 1.00 0.00 C ATOM 587 OG SER A 44 -14.965 -0.976 8.165 1.00 0.00 O ATOM 0 H SER A 44 -14.105 1.966 10.445 1.00 0.00 H new ATOM 0 HA SER A 44 -12.716 0.053 8.936 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.936 -0.218 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.658 0.829 8.872 1.00 0.00 H new ATOM 0 HG SER A 44 -15.830 -1.416 8.304 1.00 0.00 H new ATOM 593 N LEU A 45 -12.641 0.829 6.567 1.00 0.00 N ATOM 594 CA LEU A 45 -12.476 1.274 5.189 1.00 0.00 C ATOM 595 C LEU A 45 -13.391 0.441 4.284 1.00 0.00 C ATOM 596 O LEU A 45 -13.421 0.686 3.085 1.00 0.00 O ATOM 597 CB LEU A 45 -10.992 1.199 4.773 1.00 0.00 C ATOM 598 CG LEU A 45 -10.099 2.262 5.445 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.619 2.000 5.153 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.438 3.694 5.016 1.00 0.00 C ATOM 0 H LEU A 45 -12.097 -0.004 6.792 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.769 2.319 5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.607 0.209 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.922 1.312 3.691 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.295 2.175 6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.012 2.764 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.341 1.018 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.449 2.031 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.774 4.393 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.310 3.791 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.472 3.918 5.280 1.00 0.00 H new ATOM 612 N VAL A 46 -14.135 -0.530 4.827 1.00 0.00 N ATOM 613 CA VAL A 46 -15.048 -1.376 4.075 1.00 0.00 C ATOM 614 C VAL A 46 -16.219 -0.485 3.648 1.00 0.00 C ATOM 615 O VAL A 46 -17.015 -0.064 4.492 1.00 0.00 O ATOM 616 CB VAL A 46 -15.493 -2.586 4.932 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.286 -3.593 4.091 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.304 -3.348 5.536 1.00 0.00 C ATOM 0 H VAL A 46 -14.113 -0.748 5.823 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.575 -1.802 3.191 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.106 -2.168 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.587 -4.433 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.173 -3.108 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.663 -3.955 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.672 -4.187 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.666 -3.721 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.729 -2.678 6.175 1.00 0.00 H new ATOM 628 N GLY A 47 -16.320 -0.179 2.357 1.00 0.00 N ATOM 629 CA GLY A 47 -17.348 0.654 1.752 1.00 0.00 C ATOM 630 C GLY A 47 -16.697 1.900 1.164 1.00 0.00 C ATOM 631 O GLY A 47 -16.711 2.090 -0.056 1.00 0.00 O ATOM 0 H GLY A 47 -15.650 -0.526 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.871 0.100 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.092 0.935 2.498 1.00 0.00 H new ATOM 635 N LYS A 48 -16.144 2.749 2.032 1.00 0.00 N ATOM 636 CA LYS A 48 -15.475 3.991 1.649 1.00 0.00 C ATOM 637 C LYS A 48 -14.187 3.739 0.861 1.00 0.00 C ATOM 638 O LYS A 48 -13.575 2.678 0.971 1.00 0.00 O ATOM 639 CB LYS A 48 -15.216 4.864 2.893 1.00 0.00 C ATOM 640 CG LYS A 48 -14.410 4.200 4.021 1.00 0.00 C ATOM 641 CD LYS A 48 -14.249 5.134 5.236 1.00 0.00 C ATOM 642 CE LYS A 48 -15.540 5.425 6.017 1.00 0.00 C ATOM 643 NZ LYS A 48 -16.126 4.225 6.652 1.00 0.00 N ATOM 0 H LYS A 48 -16.149 2.589 3.039 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.142 4.533 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.690 5.765 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.177 5.181 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.908 3.282 4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.426 3.917 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.523 4.693 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.830 6.080 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.331 6.168 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.274 5.864 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.617 4.500 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.804 3.783 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.370 3.547 6.878 1.00 0.00 H new ATOM 657 N GLY A 49 -13.763 4.729 0.080 1.00 0.00 N ATOM 658 CA GLY A 49 -12.552 4.661 -0.718 1.00 0.00 C ATOM 659 C GLY A 49 -11.372 4.899 0.215 1.00 0.00 C ATOM 660 O GLY A 49 -11.450 5.747 1.113 1.00 0.00 O ATOM 0 H GLY A 49 -14.262 5.613 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.467 3.688 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.572 5.411 -1.509 1.00 0.00 H new ATOM 664 N PHE A 50 -10.297 4.134 0.053 1.00 0.00 N ATOM 665 CA PHE A 50 -9.086 4.242 0.856 1.00 0.00 C ATOM 666 C PHE A 50 -7.984 4.886 0.018 1.00 0.00 C ATOM 667 O PHE A 50 -8.146 5.086 -1.188 1.00 0.00 O ATOM 668 CB PHE A 50 -8.704 2.866 1.416 1.00 0.00 C ATOM 669 CG PHE A 50 -8.358 1.819 0.378 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.372 1.050 -0.227 1.00 0.00 C ATOM 671 CD2 PHE A 50 -7.013 1.611 0.020 1.00 0.00 C ATOM 672 CE1 PHE A 50 -9.042 0.090 -1.199 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.685 0.634 -0.935 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.698 -0.121 -1.552 1.00 0.00 C ATOM 0 H PHE A 50 -10.244 3.404 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.250 4.887 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.851 2.988 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.532 2.495 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.404 1.198 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.234 2.202 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.822 -0.486 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.651 0.462 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.444 -0.862 -2.296 1.00 0.00 H new ATOM 684 N LEU A 51 -6.887 5.267 0.669 1.00 0.00 N ATOM 685 CA LEU A 51 -5.721 5.908 0.075 1.00 0.00 C ATOM 686 C LEU A 51 -4.496 5.074 0.406 1.00 0.00 C ATOM 687 O LEU A 51 -4.453 4.459 1.479 1.00 0.00 O ATOM 688 CB LEU A 51 -5.558 7.327 0.636 1.00 0.00 C ATOM 689 CG LEU A 51 -6.356 8.412 -0.109 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.878 8.272 0.005 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.971 9.774 0.467 1.00 0.00 C ATOM 0 H LEU A 51 -6.784 5.129 1.674 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.844 5.978 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.863 7.326 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.501 7.593 0.612 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.105 8.305 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.360 9.077 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.187 7.312 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.171 8.327 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.527 10.557 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.209 9.800 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.902 9.938 0.331 1.00 0.00 H new ATOM 703 N THR A 52 -3.470 5.118 -0.443 1.00 0.00 N ATOM 704 CA THR A 52 -2.233 4.368 -0.282 1.00 0.00 C ATOM 705 C THR A 52 -1.021 5.266 -0.542 1.00 0.00 C ATOM 706 O THR A 52 -0.822 5.764 -1.651 1.00 0.00 O ATOM 707 CB THR A 52 -2.271 3.125 -1.193 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.661 3.449 -2.516 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.273 2.089 -0.687 1.00 0.00 C ATOM 0 H THR A 52 -3.481 5.694 -1.285 1.00 0.00 H new ATOM 0 HA THR A 52 -2.135 4.019 0.746 1.00 0.00 H new ATOM 0 HB THR A 52 -1.257 2.726 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.262 4.306 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.273 1.227 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.992 1.771 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.270 2.529 -0.663 1.00 0.00 H new ATOM 717 N GLN A 53 -0.209 5.506 0.486 1.00 0.00 N ATOM 718 CA GLN A 53 0.994 6.324 0.443 1.00 0.00 C ATOM 719 C GLN A 53 2.020 5.650 1.343 1.00 0.00 C ATOM 720 O GLN A 53 1.647 5.148 2.400 1.00 0.00 O ATOM 721 CB GLN A 53 0.635 7.734 0.924 1.00 0.00 C ATOM 722 CG GLN A 53 1.831 8.685 0.895 1.00 0.00 C ATOM 723 CD GLN A 53 1.400 10.121 1.153 1.00 0.00 C ATOM 724 OE1 GLN A 53 1.459 10.582 2.290 1.00 0.00 O ATOM 725 NE2 GLN A 53 0.993 10.851 0.132 1.00 0.00 N ATOM 0 H GLN A 53 -0.383 5.116 1.412 1.00 0.00 H new ATOM 0 HA GLN A 53 1.409 6.415 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.160 8.137 0.297 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.243 7.679 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.559 8.381 1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.327 8.620 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.953 10.444 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.718 11.822 0.277 1.00 0.00 H new ATOM 734 N ASN A 54 3.310 5.668 0.982 1.00 0.00 N ATOM 735 CA ASN A 54 4.391 5.036 1.762 1.00 0.00 C ATOM 736 C ASN A 54 4.089 3.559 2.047 1.00 0.00 C ATOM 737 O ASN A 54 4.614 2.991 3.001 1.00 0.00 O ATOM 738 CB ASN A 54 4.717 5.826 3.054 1.00 0.00 C ATOM 739 CG ASN A 54 5.691 6.951 2.786 1.00 0.00 C ATOM 740 OD1 ASN A 54 5.210 8.040 2.219 1.00 0.00 O flip ATOM 741 ND2 ASN A 54 6.886 6.825 3.032 1.00 0.00 N flip ATOM 0 H ASN A 54 3.639 6.126 0.132 1.00 0.00 H new ATOM 0 HA ASN A 54 5.291 5.066 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.797 6.232 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.137 5.150 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.229 5.971 3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.537 7.574 2.797 1.00 0.00 H new ATOM 748 N LYS A 55 3.274 2.913 1.204 1.00 0.00 N ATOM 749 CA LYS A 55 2.849 1.511 1.314 1.00 0.00 C ATOM 750 C LYS A 55 1.832 1.328 2.452 1.00 0.00 C ATOM 751 O LYS A 55 1.438 0.192 2.721 1.00 0.00 O ATOM 752 CB LYS A 55 4.045 0.537 1.472 1.00 0.00 C ATOM 753 CG LYS A 55 5.192 0.733 0.457 1.00 0.00 C ATOM 754 CD LYS A 55 6.540 0.197 0.958 1.00 0.00 C ATOM 755 CE LYS A 55 7.098 1.040 2.117 1.00 0.00 C ATOM 756 NZ LYS A 55 8.496 0.692 2.440 1.00 0.00 N ATOM 0 H LYS A 55 2.874 3.375 0.388 1.00 0.00 H new ATOM 0 HA LYS A 55 2.360 1.257 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.450 0.644 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.675 -0.484 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.933 0.232 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.292 1.795 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.421 -0.836 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.256 0.191 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.040 2.097 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.476 0.896 3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.829 1.286 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.550 -0.309 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.096 0.854 1.606 1.00 0.00 H new ATOM 770 N GLU A 56 1.409 2.399 3.127 1.00 0.00 N ATOM 771 CA GLU A 56 0.459 2.377 4.228 1.00 0.00 C ATOM 772 C GLU A 56 -0.937 2.718 3.714 1.00 0.00 C ATOM 773 O GLU A 56 -1.097 3.456 2.737 1.00 0.00 O ATOM 774 CB GLU A 56 0.874 3.368 5.324 1.00 0.00 C ATOM 775 CG GLU A 56 2.338 3.195 5.746 1.00 0.00 C ATOM 776 CD GLU A 56 2.651 3.926 7.048 1.00 0.00 C ATOM 777 OE1 GLU A 56 3.008 5.128 6.994 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.611 3.269 8.117 1.00 0.00 O ATOM 0 H GLU A 56 1.735 3.340 2.908 1.00 0.00 H new ATOM 0 HA GLU A 56 0.449 1.375 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.720 4.386 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.230 3.234 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.557 2.134 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.989 3.569 4.956 1.00 0.00 H new ATOM 785 N ILE A 57 -1.946 2.218 4.420 1.00 0.00 N ATOM 786 CA ILE A 57 -3.366 2.372 4.133 1.00 0.00 C ATOM 787 C ILE A 57 -3.977 3.420 5.068 1.00 0.00 C ATOM 788 O ILE A 57 -3.941 3.301 6.301 1.00 0.00 O ATOM 789 CB ILE A 57 -4.053 0.990 4.233 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.751 0.287 5.583 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.629 0.131 3.023 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.309 -1.125 5.686 1.00 0.00 C ATOM 0 H ILE A 57 -1.783 1.661 5.259 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.519 2.739 3.118 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.134 1.127 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.671 0.251 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.162 0.889 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.108 -0.846 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.932 0.627 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.546 0.005 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.055 -1.547 6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.393 -1.097 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.879 -1.744 4.899 1.00 0.00 H new ATOM 804 N PHE A 58 -4.573 4.463 4.489 1.00 0.00 N ATOM 805 CA PHE A 58 -5.181 5.540 5.250 1.00 0.00 C ATOM 806 C PHE A 58 -6.529 5.956 4.668 1.00 0.00 C ATOM 807 O PHE A 58 -6.948 5.535 3.592 1.00 0.00 O ATOM 808 CB PHE A 58 -4.215 6.739 5.339 1.00 0.00 C ATOM 809 CG PHE A 58 -2.878 6.473 6.023 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.828 5.937 7.326 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.670 6.800 5.374 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.591 5.690 7.949 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.438 6.591 6.011 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.397 6.025 7.294 1.00 0.00 C ATOM 0 H PHE A 58 -4.645 4.579 3.478 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.373 5.173 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.018 7.097 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.718 7.546 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.746 5.714 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.693 7.215 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.561 5.242 8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.480 6.866 5.513 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.553 5.847 7.777 1.00 0.00 H new ATOM 824 N CYS A 59 -7.263 6.732 5.471 1.00 0.00 N ATOM 825 CA CYS A 59 -8.572 7.256 5.080 1.00 0.00 C ATOM 826 C CYS A 59 -8.322 8.537 4.269 1.00 0.00 C ATOM 827 O CYS A 59 -7.277 9.158 4.455 1.00 0.00 O ATOM 828 CB CYS A 59 -9.461 7.613 6.296 1.00 0.00 C ATOM 829 SG CYS A 59 -9.331 9.318 6.878 1.00 0.00 S ATOM 0 H CYS A 59 -6.967 7.013 6.406 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.097 6.489 4.510 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.501 7.414 6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.206 6.946 7.119 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.122 9.491 7.895 1.00 0.00 H new ATOM 834 N GLN A 60 -9.323 9.012 3.527 1.00 0.00 N ATOM 835 CA GLN A 60 -9.262 10.227 2.710 1.00 0.00 C ATOM 836 C GLN A 60 -8.856 11.446 3.552 1.00 0.00 C ATOM 837 O GLN A 60 -7.838 12.070 3.274 1.00 0.00 O ATOM 838 CB GLN A 60 -10.627 10.459 2.042 1.00 0.00 C ATOM 839 CG GLN A 60 -11.074 9.319 1.105 1.00 0.00 C ATOM 840 CD GLN A 60 -12.587 9.082 1.101 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.284 9.333 2.088 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.112 8.535 0.022 1.00 0.00 N ATOM 0 H GLN A 60 -10.229 8.547 3.476 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.500 10.095 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.381 10.593 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.587 11.388 1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.748 9.546 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.572 8.398 1.402 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.523 8.334 -0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.107 8.313 -0.005 1.00 0.00 H new ATOM 851 N LYS A 61 -9.584 11.745 4.641 1.00 0.00 N ATOM 852 CA LYS A 61 -9.292 12.894 5.512 1.00 0.00 C ATOM 853 C LYS A 61 -7.835 12.922 5.995 1.00 0.00 C ATOM 854 O LYS A 61 -7.189 13.962 5.930 1.00 0.00 O ATOM 855 CB LYS A 61 -10.262 12.976 6.711 1.00 0.00 C ATOM 856 CG LYS A 61 -11.745 13.112 6.325 1.00 0.00 C ATOM 857 CD LYS A 61 -12.621 13.688 7.450 1.00 0.00 C ATOM 858 CE LYS A 61 -12.723 12.840 8.727 1.00 0.00 C ATOM 859 NZ LYS A 61 -13.810 11.838 8.669 1.00 0.00 N ATOM 0 H LYS A 61 -10.390 11.197 4.941 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.444 13.777 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.140 12.082 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.982 13.827 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.827 13.753 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.130 12.132 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.232 14.670 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.627 13.841 7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.774 12.330 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.887 13.497 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.831 11.296 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.721 12.322 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.643 11.191 7.872 1.00 0.00 H new ATOM 873 N CYS A 62 -7.335 11.793 6.506 1.00 0.00 N ATOM 874 CA CYS A 62 -5.967 11.675 7.009 1.00 0.00 C ATOM 875 C CYS A 62 -4.963 11.768 5.845 1.00 0.00 C ATOM 876 O CYS A 62 -4.004 12.529 5.919 1.00 0.00 O ATOM 877 CB CYS A 62 -5.820 10.418 7.905 1.00 0.00 C ATOM 878 SG CYS A 62 -6.254 10.752 9.628 1.00 0.00 S ATOM 0 H CYS A 62 -7.874 10.930 6.582 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.730 12.514 7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.458 9.623 7.519 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.793 10.056 7.854 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.115 9.666 10.329 1.00 0.00 H new ATOM 883 N GLY A 63 -5.210 11.082 4.727 1.00 0.00 N ATOM 884 CA GLY A 63 -4.337 11.092 3.555 1.00 0.00 C ATOM 885 C GLY A 63 -4.575 12.281 2.618 1.00 0.00 C ATOM 886 O GLY A 63 -4.327 12.165 1.421 1.00 0.00 O ATOM 0 H GLY A 63 -6.036 10.495 4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.299 11.105 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.482 10.167 2.997 1.00 0.00 H new ATOM 890 N SER A 64 -5.150 13.388 3.097 1.00 0.00 N ATOM 891 CA SER A 64 -5.390 14.556 2.262 1.00 0.00 C ATOM 892 C SER A 64 -4.046 15.257 2.057 1.00 0.00 C ATOM 893 O SER A 64 -3.657 16.072 2.892 1.00 0.00 O ATOM 894 CB SER A 64 -6.426 15.462 2.930 1.00 0.00 C ATOM 895 OG SER A 64 -7.662 14.775 3.025 1.00 0.00 O ATOM 0 H SER A 64 -5.457 13.494 4.064 1.00 0.00 H new ATOM 0 HA SER A 64 -5.797 14.280 1.289 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.083 15.755 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.550 16.378 2.353 1.00 0.00 H new ATOM 0 HG SER A 64 -7.502 13.809 2.993 1.00 0.00 H new ATOM 901 N GLY A 65 -3.342 14.921 0.976 1.00 0.00 N ATOM 902 CA GLY A 65 -2.043 15.468 0.608 1.00 0.00 C ATOM 903 C GLY A 65 -2.171 16.867 0.009 1.00 0.00 C ATOM 904 O GLY A 65 -1.768 17.097 -1.133 1.00 0.00 O ATOM 0 H GLY A 65 -3.679 14.230 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.401 15.506 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.560 14.807 -0.111 1.00 0.00 H new ATOM 908 N MET A 66 -2.789 17.784 0.756 1.00 0.00 N ATOM 909 CA MET A 66 -2.987 19.161 0.341 1.00 0.00 C ATOM 910 C MET A 66 -1.612 19.807 0.194 1.00 0.00 C ATOM 911 O MET A 66 -0.755 19.654 1.073 1.00 0.00 O ATOM 912 CB MET A 66 -3.826 19.924 1.377 1.00 0.00 C ATOM 913 CG MET A 66 -5.222 19.333 1.626 1.00 0.00 C ATOM 914 SD MET A 66 -6.295 19.108 0.175 1.00 0.00 S ATOM 915 CE MET A 66 -6.462 20.818 -0.410 1.00 0.00 C ATOM 0 H MET A 66 -3.170 17.580 1.680 1.00 0.00 H new ATOM 0 HA MET A 66 -3.525 19.192 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.281 19.947 2.321 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.936 20.957 1.047 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.098 18.364 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.741 19.978 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 66 -7.123 20.843 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.881 21.435 0.385 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.482 21.204 -0.691 1.00 0.00 H new ATOM 925 N ASP A 67 -1.394 20.510 -0.914 1.00 0.00 N ATOM 926 CA ASP A 67 -0.148 21.206 -1.218 1.00 0.00 C ATOM 927 C ASP A 67 -0.262 22.571 -0.535 1.00 0.00 C ATOM 928 O ASP A 67 -0.359 23.605 -1.202 1.00 0.00 O ATOM 929 CB ASP A 67 0.025 21.339 -2.742 1.00 0.00 C ATOM 930 CG ASP A 67 0.266 20.005 -3.435 1.00 0.00 C ATOM 931 OD1 ASP A 67 1.394 19.472 -3.338 1.00 0.00 O ATOM 932 OD2 ASP A 67 -0.638 19.510 -4.144 1.00 0.00 O ATOM 0 H ASP A 67 -2.098 20.614 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 67 0.729 20.668 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.866 21.805 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.862 22.006 -2.950 1.00 0.00 H new ATOM 937 N THR A 68 -0.359 22.588 0.795 1.00 0.00 N ATOM 938 CA THR A 68 -0.511 23.813 1.563 1.00 0.00 C ATOM 939 C THR A 68 0.652 24.770 1.340 1.00 0.00 C ATOM 940 O THR A 68 0.493 25.821 0.709 1.00 0.00 O ATOM 941 CB THR A 68 -0.747 23.510 3.065 1.00 0.00 C ATOM 942 OG1 THR A 68 0.286 22.737 3.664 1.00 0.00 O ATOM 943 CG2 THR A 68 -2.053 22.734 3.256 1.00 0.00 C ATOM 0 H THR A 68 -0.334 21.745 1.368 1.00 0.00 H new ATOM 0 HA THR A 68 -1.402 24.323 1.197 1.00 0.00 H new ATOM 0 HB THR A 68 -0.776 24.487 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.897 23.329 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.203 22.530 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.887 23.326 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.000 21.793 2.709 1.00 0.00 H new ATOM 951 N ASP A 69 1.831 24.364 1.794 1.00 0.00 N ATOM 952 CA ASP A 69 3.081 25.095 1.784 1.00 0.00 C ATOM 953 C ASP A 69 4.251 24.118 1.905 1.00 0.00 C ATOM 954 O ASP A 69 4.078 22.935 2.214 1.00 0.00 O ATOM 955 CB ASP A 69 3.079 26.083 2.981 1.00 0.00 C ATOM 956 CG ASP A 69 2.104 25.730 4.127 1.00 0.00 C ATOM 957 OD1 ASP A 69 2.050 24.567 4.596 1.00 0.00 O ATOM 958 OD2 ASP A 69 1.252 26.592 4.444 1.00 0.00 O ATOM 0 H ASP A 69 1.941 23.440 2.211 1.00 0.00 H new ATOM 0 HA ASP A 69 3.189 25.647 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.089 26.136 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.832 27.078 2.610 1.00 0.00 H new ATOM 963 N ILE A 70 5.458 24.630 1.655 1.00 0.00 N ATOM 964 CA ILE A 70 6.725 23.895 1.698 1.00 0.00 C ATOM 965 C ILE A 70 7.411 23.980 3.075 1.00 0.00 C ATOM 966 O ILE A 70 8.565 23.579 3.221 1.00 0.00 O ATOM 967 CB ILE A 70 7.624 24.335 0.514 1.00 0.00 C ATOM 968 CG1 ILE A 70 7.977 25.841 0.445 1.00 0.00 C ATOM 969 CG2 ILE A 70 6.930 23.952 -0.811 1.00 0.00 C ATOM 970 CD1 ILE A 70 8.904 26.353 1.552 1.00 0.00 C ATOM 0 H ILE A 70 5.585 25.611 1.406 1.00 0.00 H new ATOM 0 HA ILE A 70 6.522 22.832 1.571 1.00 0.00 H new ATOM 0 HB ILE A 70 8.568 23.816 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.445 26.043 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.051 26.415 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.555 24.257 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.780 22.873 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.965 24.455 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.087 27.418 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.435 26.192 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.850 25.814 1.512 1.00 0.00 H new ATOM 982 N SER A 71 6.750 24.571 4.068 1.00 0.00 N ATOM 983 CA SER A 71 7.215 24.734 5.434 1.00 0.00 C ATOM 984 C SER A 71 5.950 24.803 6.282 1.00 0.00 C ATOM 985 O SER A 71 4.925 25.285 5.804 1.00 0.00 O ATOM 986 CB SER A 71 8.063 26.008 5.559 1.00 0.00 C ATOM 987 OG SER A 71 8.568 26.170 6.876 1.00 0.00 O ATOM 0 H SER A 71 5.822 24.970 3.927 1.00 0.00 H new ATOM 0 HA SER A 71 7.857 23.915 5.759 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.892 25.965 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.460 26.875 5.290 1.00 0.00 H new ATOM 0 HG SER A 71 9.105 26.989 6.922 1.00 0.00 H new ATOM 993 N GLY A 72 6.035 24.381 7.540 1.00 0.00 N ATOM 994 CA GLY A 72 4.915 24.359 8.468 1.00 0.00 C ATOM 995 C GLY A 72 4.932 22.995 9.144 1.00 0.00 C ATOM 996 O GLY A 72 5.393 22.907 10.281 1.00 0.00 O ATOM 0 H GLY A 72 6.904 24.038 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.007 25.157 9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.974 24.518 7.942 1.00 0.00 H new ATOM 1000 N PRO A 73 4.525 21.912 8.453 1.00 0.00 N ATOM 1001 CA PRO A 73 4.521 20.556 8.993 1.00 0.00 C ATOM 1002 C PRO A 73 5.957 19.975 9.020 1.00 0.00 C ATOM 1003 O PRO A 73 6.288 19.013 8.320 1.00 0.00 O ATOM 1004 CB PRO A 73 3.542 19.788 8.099 1.00 0.00 C ATOM 1005 CG PRO A 73 3.709 20.463 6.742 1.00 0.00 C ATOM 1006 CD PRO A 73 3.954 21.923 7.110 1.00 0.00 C ATOM 0 HA PRO A 73 4.198 20.497 10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.785 18.727 8.054 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.518 19.865 8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 73 4.545 20.043 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.820 20.347 6.122 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.635 22.395 6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.025 22.492 7.086 1.00 0.00 H new ATOM 1014 N SER A 74 6.858 20.597 9.776 1.00 0.00 N ATOM 1015 CA SER A 74 8.260 20.261 9.991 1.00 0.00 C ATOM 1016 C SER A 74 8.727 21.005 11.251 1.00 0.00 C ATOM 1017 O SER A 74 7.933 21.694 11.897 1.00 0.00 O ATOM 1018 CB SER A 74 9.090 20.668 8.764 1.00 0.00 C ATOM 1019 OG SER A 74 8.877 19.759 7.699 1.00 0.00 O ATOM 0 H SER A 74 6.597 21.430 10.304 1.00 0.00 H new ATOM 0 HA SER A 74 8.389 19.187 10.129 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.817 21.676 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.148 20.691 9.024 1.00 0.00 H new ATOM 0 HG SER A 74 7.975 19.383 7.766 1.00 0.00 H new ATOM 1025 N SER A 75 9.990 20.827 11.645 1.00 0.00 N ATOM 1026 CA SER A 75 10.545 21.497 12.809 1.00 0.00 C ATOM 1027 C SER A 75 10.846 22.942 12.389 1.00 0.00 C ATOM 1028 O SER A 75 11.848 23.201 11.714 1.00 0.00 O ATOM 1029 CB SER A 75 11.788 20.744 13.309 1.00 0.00 C ATOM 1030 OG SER A 75 11.838 20.734 14.726 1.00 0.00 O ATOM 0 H SER A 75 10.650 20.215 11.164 1.00 0.00 H new ATOM 0 HA SER A 75 9.848 21.508 13.647 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.773 19.720 12.934 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.687 21.215 12.913 1.00 0.00 H new ATOM 0 HG SER A 75 12.636 20.248 15.022 1.00 0.00 H new ATOM 1036 N GLY A 76 9.973 23.876 12.745 1.00 0.00 N ATOM 1037 CA GLY A 76 10.081 25.291 12.444 1.00 0.00 C ATOM 1038 C GLY A 76 8.908 25.944 13.133 1.00 0.00 C ATOM 1039 O GLY A 76 8.848 25.827 14.375 1.00 0.00 O ATOM 0 H GLY A 76 9.132 23.653 13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.025 25.698 12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.051 25.466 11.369 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.525 -10.315 11.556 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.371 8.516 9.620 1.00 0.00 ZN