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 53 GLN : amide:sc= 0.816 K(o=1.5,f=0) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.722 K(o=1.5,f=-0.22) USER MOD Set 2.1: A 38 CYS SG : rot 180:sc= 0.795 USER MOD Set 2.2: A 62 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot 180:sc= 0.731 USER MOD Set 3.2: A 11 CYS SG : rot -119:sc= -3.63! USER MOD Set 3.3: A 32 HIS : no HD1:sc= -1.69 K(o=-4.6,f=-6.2) 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 47:sc= 0.0305 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 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= 0.592 K(o=0.59,f=-0.54) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00682 X(o=-0.0068,f=-0.015) 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= -0.021 K(o=-0.021,f=-4.2!) USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= 0.522 (180deg=0.0497) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00987 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.14 (180deg=-1.15) USER MOD Single : A 52 THR OG1 : rot 35:sc= 0.0205 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 60 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -99:sc= 0.488 USER MOD Single : A 66 MET CE :methyl -170:sc= -0.0683 (180deg=-0.293) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 15:sc= 0.934 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0522 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.371 -10.426 11.304 1.00 0.00 N ATOM 2 CA GLY A 1 7.720 -11.475 10.334 1.00 0.00 C ATOM 3 C GLY A 1 6.579 -12.454 10.156 1.00 0.00 C ATOM 4 O GLY A 1 6.637 -13.554 10.696 1.00 0.00 O ATOM 0 H1 GLY A 1 8.170 -9.769 11.407 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.536 -9.906 10.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.160 -10.861 12.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.966 -11.020 9.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.610 -12.006 10.672 1.00 0.00 H new ATOM 8 N SER A 2 5.532 -12.061 9.431 1.00 0.00 N ATOM 9 CA SER A 2 4.372 -12.896 9.171 1.00 0.00 C ATOM 10 C SER A 2 4.802 -13.985 8.189 1.00 0.00 C ATOM 11 O SER A 2 4.890 -13.737 6.987 1.00 0.00 O ATOM 12 CB SER A 2 3.250 -11.999 8.636 1.00 0.00 C ATOM 13 OG SER A 2 1.950 -12.516 8.870 1.00 0.00 O ATOM 0 H SER A 2 5.470 -11.137 9.003 1.00 0.00 H new ATOM 0 HA SER A 2 3.989 -13.388 10.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.330 -11.016 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.389 -11.858 7.564 1.00 0.00 H new ATOM 0 HG SER A 2 1.282 -11.898 8.507 1.00 0.00 H new ATOM 19 N SER A 3 5.115 -15.165 8.715 1.00 0.00 N ATOM 20 CA SER A 3 5.554 -16.328 7.968 1.00 0.00 C ATOM 21 C SER A 3 4.996 -17.591 8.630 1.00 0.00 C ATOM 22 O SER A 3 4.469 -17.541 9.747 1.00 0.00 O ATOM 23 CB SER A 3 7.089 -16.338 7.940 1.00 0.00 C ATOM 24 OG SER A 3 7.593 -15.289 7.129 1.00 0.00 O ATOM 0 H SER A 3 5.066 -15.339 9.719 1.00 0.00 H new ATOM 0 HA SER A 3 5.187 -16.296 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.475 -16.235 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.442 -17.297 7.561 1.00 0.00 H new ATOM 0 HG SER A 3 8.573 -15.317 7.130 1.00 0.00 H new ATOM 30 N GLY A 4 5.111 -18.726 7.935 1.00 0.00 N ATOM 31 CA GLY A 4 4.665 -20.028 8.403 1.00 0.00 C ATOM 32 C GLY A 4 3.171 -20.318 8.284 1.00 0.00 C ATOM 33 O GLY A 4 2.780 -21.455 8.573 1.00 0.00 O ATOM 0 H GLY A 4 5.530 -18.758 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.207 -20.794 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.950 -20.131 9.450 1.00 0.00 H new ATOM 37 N SER A 5 2.324 -19.360 7.894 1.00 0.00 N ATOM 38 CA SER A 5 0.884 -19.578 7.780 1.00 0.00 C ATOM 39 C SER A 5 0.184 -18.382 7.139 1.00 0.00 C ATOM 40 O SER A 5 0.143 -17.311 7.761 1.00 0.00 O ATOM 41 CB SER A 5 0.287 -19.828 9.180 1.00 0.00 C ATOM 42 OG SER A 5 0.837 -18.963 10.167 1.00 0.00 O ATOM 0 H SER A 5 2.619 -18.415 7.650 1.00 0.00 H new ATOM 0 HA SER A 5 0.726 -20.447 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.793 -19.690 9.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.466 -20.864 9.468 1.00 0.00 H new ATOM 0 HG SER A 5 0.842 -18.043 9.829 1.00 0.00 H new ATOM 48 N SER A 6 -0.339 -18.518 5.917 1.00 0.00 N ATOM 49 CA SER A 6 -1.051 -17.423 5.266 1.00 0.00 C ATOM 50 C SER A 6 -2.260 -17.086 6.148 1.00 0.00 C ATOM 51 O SER A 6 -3.038 -17.981 6.500 1.00 0.00 O ATOM 52 CB SER A 6 -1.510 -17.810 3.859 1.00 0.00 C ATOM 53 OG SER A 6 -0.464 -18.377 3.088 1.00 0.00 O ATOM 0 H SER A 6 -0.281 -19.373 5.364 1.00 0.00 H new ATOM 0 HA SER A 6 -0.392 -16.562 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.332 -18.522 3.931 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.896 -16.927 3.350 1.00 0.00 H new ATOM 0 HG SER A 6 -0.803 -18.610 2.198 1.00 0.00 H new ATOM 59 N GLY A 7 -2.426 -15.826 6.530 1.00 0.00 N ATOM 60 CA GLY A 7 -3.524 -15.417 7.377 1.00 0.00 C ATOM 61 C GLY A 7 -3.754 -13.918 7.348 1.00 0.00 C ATOM 62 O GLY A 7 -3.133 -13.204 6.560 1.00 0.00 O ATOM 0 H GLY A 7 -1.802 -15.066 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.433 -15.927 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.324 -15.731 8.402 1.00 0.00 H new ATOM 66 N CYS A 8 -4.671 -13.433 8.198 1.00 0.00 N ATOM 67 CA CYS A 8 -4.950 -11.998 8.263 1.00 0.00 C ATOM 68 C CYS A 8 -3.659 -11.314 8.695 1.00 0.00 C ATOM 69 O CYS A 8 -3.190 -11.616 9.790 1.00 0.00 O ATOM 70 CB CYS A 8 -6.038 -11.619 9.298 1.00 0.00 C ATOM 71 SG CYS A 8 -6.651 -9.934 9.042 1.00 0.00 S ATOM 0 H CYS A 8 -5.222 -14.005 8.838 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.312 -11.688 7.283 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.868 -12.322 9.227 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.629 -11.708 10.304 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.561 -9.664 9.930 1.00 0.00 H new ATOM 76 N VAL A 9 -3.167 -10.328 7.956 1.00 0.00 N ATOM 77 CA VAL A 9 -1.940 -9.598 8.305 1.00 0.00 C ATOM 78 C VAL A 9 -2.039 -8.963 9.713 1.00 0.00 C ATOM 79 O VAL A 9 -1.036 -8.680 10.362 1.00 0.00 O ATOM 80 CB VAL A 9 -1.704 -8.526 7.219 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.444 -7.685 7.455 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.605 -9.150 5.821 1.00 0.00 C ATOM 0 H VAL A 9 -3.604 -10.006 7.093 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.095 -10.286 8.340 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.573 -7.871 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.340 -6.952 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.525 -7.168 8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.431 -8.335 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.439 -8.365 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.774 -9.854 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.532 -9.675 5.590 1.00 0.00 H new ATOM 92 N ALA A 10 -3.264 -8.786 10.217 1.00 0.00 N ATOM 93 CA ALA A 10 -3.593 -8.189 11.506 1.00 0.00 C ATOM 94 C ALA A 10 -3.907 -9.184 12.635 1.00 0.00 C ATOM 95 O ALA A 10 -4.451 -8.770 13.655 1.00 0.00 O ATOM 96 CB ALA A 10 -4.817 -7.308 11.265 1.00 0.00 C ATOM 0 H ALA A 10 -4.097 -9.073 9.704 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.713 -7.648 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.112 -6.831 12.200 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.575 -6.542 10.528 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.639 -7.921 10.895 1.00 0.00 H new ATOM 102 N CYS A 11 -3.798 -10.498 12.422 1.00 0.00 N ATOM 103 CA CYS A 11 -4.066 -11.484 13.478 1.00 0.00 C ATOM 104 C CYS A 11 -3.357 -12.831 13.261 1.00 0.00 C ATOM 105 O CYS A 11 -3.375 -13.697 14.138 1.00 0.00 O ATOM 106 CB CYS A 11 -5.582 -11.692 13.654 1.00 0.00 C ATOM 107 SG CYS A 11 -6.420 -12.698 12.423 1.00 0.00 S ATOM 0 H CYS A 11 -3.526 -10.906 11.528 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.647 -11.066 14.394 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.750 -12.144 14.631 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.058 -10.712 13.670 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.324 -11.984 11.821 1.00 0.00 H new ATOM 112 N SER A 12 -2.761 -13.033 12.084 1.00 0.00 N ATOM 113 CA SER A 12 -2.049 -14.232 11.668 1.00 0.00 C ATOM 114 C SER A 12 -2.911 -15.493 11.841 1.00 0.00 C ATOM 115 O SER A 12 -2.400 -16.560 12.176 1.00 0.00 O ATOM 116 CB SER A 12 -0.678 -14.329 12.361 1.00 0.00 C ATOM 117 OG SER A 12 0.085 -13.137 12.226 1.00 0.00 O ATOM 0 H SER A 12 -2.766 -12.318 11.356 1.00 0.00 H new ATOM 0 HA SER A 12 -1.848 -14.157 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.824 -14.545 13.419 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.119 -15.164 11.939 1.00 0.00 H new ATOM 0 HG SER A 12 0.945 -13.246 12.683 1.00 0.00 H new ATOM 123 N LYS A 13 -4.245 -15.370 11.743 1.00 0.00 N ATOM 124 CA LYS A 13 -5.150 -16.513 11.875 1.00 0.00 C ATOM 125 C LYS A 13 -5.348 -17.122 10.498 1.00 0.00 C ATOM 126 O LYS A 13 -5.304 -16.369 9.519 1.00 0.00 O ATOM 127 CB LYS A 13 -6.516 -16.115 12.430 1.00 0.00 C ATOM 128 CG LYS A 13 -6.422 -15.772 13.921 1.00 0.00 C ATOM 129 CD LYS A 13 -7.827 -15.605 14.489 1.00 0.00 C ATOM 130 CE LYS A 13 -7.789 -15.345 15.996 1.00 0.00 C ATOM 131 NZ LYS A 13 -9.155 -15.277 16.544 1.00 0.00 N ATOM 0 H LYS A 13 -4.718 -14.483 11.572 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.702 -17.219 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.901 -15.257 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.224 -16.931 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.893 -16.561 14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.850 -14.855 14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.329 -14.777 13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.412 -16.502 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.231 -16.138 16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.264 -14.411 16.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.110 -15.100 17.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.676 -14.505 16.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.644 -16.178 16.370 1.00 0.00 H new ATOM 145 N PRO A 14 -5.612 -18.431 10.408 1.00 0.00 N ATOM 146 CA PRO A 14 -5.799 -19.095 9.138 1.00 0.00 C ATOM 147 C PRO A 14 -7.109 -18.643 8.500 1.00 0.00 C ATOM 148 O PRO A 14 -8.191 -18.786 9.084 1.00 0.00 O ATOM 149 CB PRO A 14 -5.758 -20.592 9.443 1.00 0.00 C ATOM 150 CG PRO A 14 -6.201 -20.690 10.902 1.00 0.00 C ATOM 151 CD PRO A 14 -5.701 -19.378 11.510 1.00 0.00 C ATOM 0 HA PRO A 14 -5.025 -18.848 8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.425 -21.151 8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.757 -21.000 9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.283 -20.787 10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.763 -21.556 11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.385 -19.019 12.278 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.730 -19.514 11.986 1.00 0.00 H new ATOM 159 N ILE A 15 -6.988 -18.027 7.328 1.00 0.00 N ATOM 160 CA ILE A 15 -8.091 -17.523 6.518 1.00 0.00 C ATOM 161 C ILE A 15 -8.922 -18.736 6.054 1.00 0.00 C ATOM 162 O ILE A 15 -8.487 -19.892 6.119 1.00 0.00 O ATOM 163 CB ILE A 15 -7.486 -16.660 5.371 1.00 0.00 C ATOM 164 CG1 ILE A 15 -6.923 -15.320 5.924 1.00 0.00 C ATOM 165 CG2 ILE A 15 -8.416 -16.400 4.171 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.910 -14.152 6.012 1.00 0.00 C ATOM 0 H ILE A 15 -6.078 -17.858 6.899 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.774 -16.871 7.062 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.678 -17.271 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.521 -15.503 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.087 -15.015 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.895 -15.790 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.703 -17.350 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.309 -15.875 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.401 -13.275 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.296 -13.926 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.736 -14.423 6.669 1.00 0.00 H new ATOM 178 N SER A 16 -10.152 -18.479 5.626 1.00 0.00 N ATOM 179 CA SER A 16 -11.104 -19.463 5.135 1.00 0.00 C ATOM 180 C SER A 16 -11.835 -18.810 3.961 1.00 0.00 C ATOM 181 O SER A 16 -12.038 -17.593 3.990 1.00 0.00 O ATOM 182 CB SER A 16 -12.094 -19.858 6.243 1.00 0.00 C ATOM 183 OG SER A 16 -11.502 -19.855 7.535 1.00 0.00 O ATOM 0 H SER A 16 -10.529 -17.531 5.612 1.00 0.00 H new ATOM 0 HA SER A 16 -10.599 -20.377 4.821 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.938 -19.168 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.491 -20.851 6.032 1.00 0.00 H new ATOM 0 HG SER A 16 -12.172 -20.111 8.203 1.00 0.00 H new ATOM 189 N GLY A 17 -12.225 -19.604 2.965 1.00 0.00 N ATOM 190 CA GLY A 17 -12.928 -19.174 1.766 1.00 0.00 C ATOM 191 C GLY A 17 -14.089 -20.093 1.391 1.00 0.00 C ATOM 192 O GLY A 17 -15.008 -19.622 0.723 1.00 0.00 O ATOM 0 H GLY A 17 -12.050 -20.609 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.307 -18.163 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.224 -19.130 0.935 1.00 0.00 H new ATOM 196 N LEU A 18 -14.125 -21.360 1.836 1.00 0.00 N ATOM 197 CA LEU A 18 -15.223 -22.281 1.512 1.00 0.00 C ATOM 198 C LEU A 18 -16.540 -21.668 1.978 1.00 0.00 C ATOM 199 O LEU A 18 -17.491 -21.596 1.203 1.00 0.00 O ATOM 200 CB LEU A 18 -15.028 -23.675 2.148 1.00 0.00 C ATOM 201 CG LEU A 18 -14.252 -24.704 1.302 1.00 0.00 C ATOM 202 CD1 LEU A 18 -15.013 -25.123 0.038 1.00 0.00 C ATOM 203 CD2 LEU A 18 -12.863 -24.202 0.910 1.00 0.00 C ATOM 0 H LEU A 18 -13.400 -21.770 2.425 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.235 -22.426 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.508 -23.549 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.010 -24.089 2.375 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.143 -25.577 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.421 -25.848 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.966 -25.572 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.194 -24.247 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.356 -24.962 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.958 -23.287 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.282 -23.998 1.810 1.00 0.00 H new ATOM 215 N THR A 19 -16.565 -21.156 3.207 1.00 0.00 N ATOM 216 CA THR A 19 -17.702 -20.505 3.857 1.00 0.00 C ATOM 217 C THR A 19 -17.973 -19.086 3.282 1.00 0.00 C ATOM 218 O THR A 19 -18.789 -18.337 3.823 1.00 0.00 O ATOM 219 CB THR A 19 -17.397 -20.543 5.370 1.00 0.00 C ATOM 220 OG1 THR A 19 -17.382 -21.895 5.824 1.00 0.00 O ATOM 221 CG2 THR A 19 -18.336 -19.767 6.277 1.00 0.00 C ATOM 0 H THR A 19 -15.744 -21.186 3.812 1.00 0.00 H new ATOM 0 HA THR A 19 -18.641 -21.024 3.663 1.00 0.00 H new ATOM 0 HB THR A 19 -16.429 -20.047 5.447 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.186 -21.916 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.013 -19.874 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.321 -18.713 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.349 -20.156 6.171 1.00 0.00 H new ATOM 229 N GLY A 20 -17.288 -18.677 2.206 1.00 0.00 N ATOM 230 CA GLY A 20 -17.460 -17.372 1.575 1.00 0.00 C ATOM 231 C GLY A 20 -17.226 -16.234 2.562 1.00 0.00 C ATOM 232 O GLY A 20 -17.971 -15.256 2.559 1.00 0.00 O ATOM 0 H GLY A 20 -16.587 -19.258 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.767 -17.277 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.467 -17.296 1.164 1.00 0.00 H new ATOM 236 N ALA A 21 -16.244 -16.397 3.453 1.00 0.00 N ATOM 237 CA ALA A 21 -15.922 -15.412 4.468 1.00 0.00 C ATOM 238 C ALA A 21 -15.479 -14.085 3.854 1.00 0.00 C ATOM 239 O ALA A 21 -14.695 -14.051 2.908 1.00 0.00 O ATOM 240 CB ALA A 21 -14.829 -15.969 5.381 1.00 0.00 C ATOM 0 H ALA A 21 -15.650 -17.226 3.483 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.822 -15.211 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.583 -15.232 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.184 -16.883 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.940 -16.190 4.791 1.00 0.00 H new ATOM 246 N LYS A 22 -15.900 -12.984 4.469 1.00 0.00 N ATOM 247 CA LYS A 22 -15.575 -11.629 4.043 1.00 0.00 C ATOM 248 C LYS A 22 -14.120 -11.270 4.342 1.00 0.00 C ATOM 249 O LYS A 22 -13.735 -11.131 5.512 1.00 0.00 O ATOM 250 CB LYS A 22 -16.538 -10.650 4.729 1.00 0.00 C ATOM 251 CG LYS A 22 -17.869 -10.555 3.973 1.00 0.00 C ATOM 252 CD LYS A 22 -17.745 -9.600 2.788 1.00 0.00 C ATOM 253 CE LYS A 22 -19.121 -9.279 2.215 1.00 0.00 C ATOM 254 NZ LYS A 22 -19.560 -10.247 1.192 1.00 0.00 N ATOM 0 H LYS A 22 -16.492 -13.012 5.299 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.693 -11.563 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.722 -10.975 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.078 -9.663 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.165 -11.543 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.652 -10.208 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.253 -8.680 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.119 -10.048 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.850 -9.259 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.103 -8.281 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.501 -9.977 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.882 -10.249 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.607 -11.198 1.611 1.00 0.00 H new ATOM 268 N PHE A 23 -13.311 -11.142 3.300 1.00 0.00 N ATOM 269 CA PHE A 23 -11.906 -10.769 3.335 1.00 0.00 C ATOM 270 C PHE A 23 -11.660 -9.875 2.120 1.00 0.00 C ATOM 271 O PHE A 23 -12.463 -9.843 1.187 1.00 0.00 O ATOM 272 CB PHE A 23 -10.965 -11.987 3.386 1.00 0.00 C ATOM 273 CG PHE A 23 -11.175 -13.019 2.294 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.850 -12.733 0.952 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.723 -14.271 2.622 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.130 -13.674 -0.053 1.00 0.00 C ATOM 277 CE2 PHE A 23 -11.983 -15.215 1.617 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.699 -14.914 0.277 1.00 0.00 C ATOM 0 H PHE A 23 -13.640 -11.306 2.349 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.679 -10.228 4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.936 -11.632 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.084 -12.476 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.386 -11.792 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.945 -14.507 3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.906 -13.442 -1.084 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.403 -16.176 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.917 -15.634 -0.498 1.00 0.00 H new ATOM 288 N ILE A 24 -10.540 -9.166 2.120 1.00 0.00 N ATOM 289 CA ILE A 24 -10.114 -8.237 1.092 1.00 0.00 C ATOM 290 C ILE A 24 -8.692 -8.633 0.716 1.00 0.00 C ATOM 291 O ILE A 24 -7.873 -8.885 1.602 1.00 0.00 O ATOM 292 CB ILE A 24 -10.205 -6.792 1.644 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.628 -6.520 2.193 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.825 -5.765 0.563 1.00 0.00 C ATOM 295 CD1 ILE A 24 -11.857 -5.152 2.819 1.00 0.00 C ATOM 0 H ILE A 24 -9.867 -9.230 2.884 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.745 -8.271 0.204 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.493 -6.688 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.340 -6.647 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.859 -7.281 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.897 -4.759 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.803 -5.948 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.505 -5.859 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.888 -5.079 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.179 -5.020 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.668 -4.376 2.077 1.00 0.00 H new ATOM 307 N CYS A 25 -8.446 -8.769 -0.585 1.00 0.00 N ATOM 308 CA CYS A 25 -7.154 -9.112 -1.156 1.00 0.00 C ATOM 309 C CYS A 25 -6.499 -7.781 -1.511 1.00 0.00 C ATOM 310 O CYS A 25 -7.112 -6.976 -2.214 1.00 0.00 O ATOM 311 CB CYS A 25 -7.358 -9.984 -2.402 1.00 0.00 C ATOM 312 SG CYS A 25 -7.800 -11.671 -1.889 1.00 0.00 S ATOM 0 H CYS A 25 -9.169 -8.638 -1.292 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.529 -9.682 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.145 -9.564 -3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.448 -10.001 -3.001 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.976 -12.413 -2.942 1.00 0.00 H new ATOM 318 N PHE A 26 -5.302 -7.513 -1.001 1.00 0.00 N ATOM 319 CA PHE A 26 -4.572 -6.282 -1.249 1.00 0.00 C ATOM 320 C PHE A 26 -3.086 -6.612 -1.307 1.00 0.00 C ATOM 321 O PHE A 26 -2.548 -7.138 -0.337 1.00 0.00 O ATOM 322 CB PHE A 26 -4.881 -5.279 -0.116 1.00 0.00 C ATOM 323 CG PHE A 26 -4.103 -3.971 -0.154 1.00 0.00 C ATOM 324 CD1 PHE A 26 -2.769 -3.910 0.303 1.00 0.00 C ATOM 325 CD2 PHE A 26 -4.712 -2.799 -0.640 1.00 0.00 C ATOM 326 CE1 PHE A 26 -2.041 -2.710 0.233 1.00 0.00 C ATOM 327 CE2 PHE A 26 -3.982 -1.598 -0.701 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.645 -1.550 -0.274 1.00 0.00 C ATOM 0 H PHE A 26 -4.804 -8.161 -0.391 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.870 -5.829 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.946 -5.047 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.686 -5.768 0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.303 -4.795 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.741 -2.822 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.015 -2.681 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.455 -0.704 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.087 -0.628 -0.335 1.00 0.00 H new ATOM 338 N GLN A 27 -2.429 -6.285 -2.421 1.00 0.00 N ATOM 339 CA GLN A 27 -1.000 -6.480 -2.665 1.00 0.00 C ATOM 340 C GLN A 27 -0.483 -7.830 -2.139 1.00 0.00 C ATOM 341 O GLN A 27 0.429 -7.895 -1.312 1.00 0.00 O ATOM 342 CB GLN A 27 -0.252 -5.244 -2.118 1.00 0.00 C ATOM 343 CG GLN A 27 -0.295 -4.010 -3.041 1.00 0.00 C ATOM 344 CD GLN A 27 -1.638 -3.690 -3.708 1.00 0.00 C ATOM 345 OE1 GLN A 27 -1.770 -3.799 -4.919 1.00 0.00 O ATOM 346 NE2 GLN A 27 -2.658 -3.244 -2.992 1.00 0.00 N ATOM 0 H GLN A 27 -2.903 -5.856 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.806 -6.549 -3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.679 -4.975 -1.152 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.789 -5.514 -1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.011 -3.140 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.449 -4.147 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.567 -3.146 -1.981 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.535 -2.998 -3.451 1.00 0.00 H new ATOM 355 N ASP A 28 -1.077 -8.910 -2.654 1.00 0.00 N ATOM 356 CA ASP A 28 -0.779 -10.318 -2.354 1.00 0.00 C ATOM 357 C ASP A 28 -1.045 -10.740 -0.903 1.00 0.00 C ATOM 358 O ASP A 28 -0.671 -11.848 -0.509 1.00 0.00 O ATOM 359 CB ASP A 28 0.635 -10.709 -2.822 1.00 0.00 C ATOM 360 CG ASP A 28 0.763 -10.659 -4.337 1.00 0.00 C ATOM 361 OD1 ASP A 28 0.114 -11.497 -5.001 1.00 0.00 O ATOM 362 OD2 ASP A 28 1.483 -9.765 -4.839 1.00 0.00 O ATOM 0 H ASP A 28 -1.829 -8.821 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.501 -10.889 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.365 -10.036 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.869 -11.714 -2.470 1.00 0.00 H new ATOM 367 N SER A 29 -1.732 -9.933 -0.099 1.00 0.00 N ATOM 368 CA SER A 29 -2.052 -10.214 1.295 1.00 0.00 C ATOM 369 C SER A 29 -3.569 -10.192 1.516 1.00 0.00 C ATOM 370 O SER A 29 -4.306 -9.573 0.746 1.00 0.00 O ATOM 371 CB SER A 29 -1.340 -9.168 2.143 1.00 0.00 C ATOM 372 OG SER A 29 0.061 -9.250 1.984 1.00 0.00 O ATOM 0 H SER A 29 -2.094 -9.033 -0.413 1.00 0.00 H new ATOM 0 HA SER A 29 -1.715 -11.211 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.683 -8.172 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.599 -9.309 3.192 1.00 0.00 H new ATOM 0 HG SER A 29 0.494 -8.567 2.538 1.00 0.00 H new ATOM 378 N GLN A 30 -4.045 -10.842 2.584 1.00 0.00 N ATOM 379 CA GLN A 30 -5.466 -10.920 2.902 1.00 0.00 C ATOM 380 C GLN A 30 -5.765 -10.224 4.224 1.00 0.00 C ATOM 381 O GLN A 30 -5.106 -10.459 5.243 1.00 0.00 O ATOM 382 CB GLN A 30 -5.927 -12.388 2.949 1.00 0.00 C ATOM 383 CG GLN A 30 -5.711 -13.103 1.608 1.00 0.00 C ATOM 384 CD GLN A 30 -6.022 -14.595 1.658 1.00 0.00 C ATOM 385 OE1 GLN A 30 -6.962 -15.057 1.016 1.00 0.00 O ATOM 386 NE2 GLN A 30 -5.234 -15.384 2.374 1.00 0.00 N ATOM 0 H GLN A 30 -3.448 -11.330 3.252 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.020 -10.407 2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.381 -12.914 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.983 -12.428 3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.338 -12.634 0.850 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.676 -12.966 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.457 -14.986 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.404 -16.389 2.397 1.00 0.00 H new ATOM 395 N TRP A 31 -6.808 -9.400 4.225 1.00 0.00 N ATOM 396 CA TRP A 31 -7.276 -8.667 5.381 1.00 0.00 C ATOM 397 C TRP A 31 -8.731 -9.020 5.594 1.00 0.00 C ATOM 398 O TRP A 31 -9.544 -8.973 4.678 1.00 0.00 O ATOM 399 CB TRP A 31 -7.148 -7.152 5.201 1.00 0.00 C ATOM 400 CG TRP A 31 -5.847 -6.579 5.653 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.579 -6.092 6.886 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.635 -6.385 4.874 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.287 -5.617 6.922 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.661 -5.758 5.706 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.272 -6.649 3.540 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.386 -5.414 5.242 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.002 -6.289 3.063 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.056 -5.689 3.907 1.00 0.00 C ATOM 0 H TRP A 31 -7.365 -9.223 3.389 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.662 -8.943 6.239 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.289 -6.912 4.147 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.954 -6.665 5.750 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.272 -6.078 7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.849 -5.211 7.749 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.976 -7.132 2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.669 -4.945 5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.749 -6.477 2.030 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.075 -5.439 3.530 1.00 0.00 H new ATOM 419 N HIS A 32 -9.057 -9.447 6.804 1.00 0.00 N ATOM 420 CA HIS A 32 -10.425 -9.764 7.172 1.00 0.00 C ATOM 421 C HIS A 32 -11.174 -8.425 7.148 1.00 0.00 C ATOM 422 O HIS A 32 -10.566 -7.417 7.524 1.00 0.00 O ATOM 423 CB HIS A 32 -10.421 -10.252 8.613 1.00 0.00 C ATOM 424 CG HIS A 32 -9.880 -11.633 8.903 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.178 -11.953 10.074 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.132 -12.773 8.195 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.109 -13.300 10.087 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.640 -13.807 8.966 1.00 0.00 N ATOM 0 H HIS A 32 -8.381 -9.583 7.556 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.868 -10.511 6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.845 -9.539 9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.447 -10.214 8.979 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.616 -12.850 7.232 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.685 -13.887 10.888 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.675 -14.797 8.722 1.00 0.00 H new ATOM 436 N SER A 33 -12.469 -8.411 6.822 1.00 0.00 N ATOM 437 CA SER A 33 -13.263 -7.183 6.766 1.00 0.00 C ATOM 438 C SER A 33 -13.076 -6.304 8.018 1.00 0.00 C ATOM 439 O SER A 33 -12.701 -5.137 7.895 1.00 0.00 O ATOM 440 CB SER A 33 -14.749 -7.519 6.509 1.00 0.00 C ATOM 441 OG SER A 33 -15.197 -6.975 5.288 1.00 0.00 O ATOM 0 H SER A 33 -12.996 -9.253 6.589 1.00 0.00 H new ATOM 0 HA SER A 33 -12.898 -6.588 5.929 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.882 -8.601 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.357 -7.132 7.326 1.00 0.00 H new ATOM 0 HG SER A 33 -16.140 -7.206 5.153 1.00 0.00 H new ATOM 447 N GLU A 34 -13.232 -6.851 9.231 1.00 0.00 N ATOM 448 CA GLU A 34 -13.106 -6.077 10.473 1.00 0.00 C ATOM 449 C GLU A 34 -11.691 -5.567 10.762 1.00 0.00 C ATOM 450 O GLU A 34 -11.518 -4.735 11.653 1.00 0.00 O ATOM 451 CB GLU A 34 -13.630 -6.845 11.702 1.00 0.00 C ATOM 452 CG GLU A 34 -14.826 -7.779 11.468 1.00 0.00 C ATOM 453 CD GLU A 34 -14.363 -9.215 11.255 1.00 0.00 C ATOM 454 OE1 GLU A 34 -13.340 -9.440 10.566 1.00 0.00 O ATOM 455 OE2 GLU A 34 -15.004 -10.137 11.812 1.00 0.00 O ATOM 0 H GLU A 34 -13.448 -7.837 9.379 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.734 -5.204 10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.810 -7.436 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.909 -6.118 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.500 -7.733 12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.391 -7.442 10.599 1.00 0.00 H new ATOM 462 N CYS A 35 -10.683 -6.075 10.052 1.00 0.00 N ATOM 463 CA CYS A 35 -9.288 -5.693 10.216 1.00 0.00 C ATOM 464 C CYS A 35 -8.768 -4.739 9.132 1.00 0.00 C ATOM 465 O CYS A 35 -7.684 -4.183 9.321 1.00 0.00 O ATOM 466 CB CYS A 35 -8.414 -6.930 10.487 1.00 0.00 C ATOM 467 SG CYS A 35 -8.298 -7.208 12.263 1.00 0.00 S ATOM 0 H CYS A 35 -10.822 -6.781 9.329 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.216 -5.074 11.110 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.843 -7.805 9.999 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.419 -6.785 10.065 1.00 0.00 H new ATOM 0 HG CYS A 35 -7.561 -8.255 12.491 1.00 0.00 H new ATOM 472 N PHE A 36 -9.486 -4.533 8.021 1.00 0.00 N ATOM 473 CA PHE A 36 -9.068 -3.601 6.973 1.00 0.00 C ATOM 474 C PHE A 36 -9.490 -2.230 7.514 1.00 0.00 C ATOM 475 O PHE A 36 -10.681 -1.905 7.484 1.00 0.00 O ATOM 476 CB PHE A 36 -9.749 -3.979 5.651 1.00 0.00 C ATOM 477 CG PHE A 36 -9.255 -3.203 4.443 1.00 0.00 C ATOM 478 CD1 PHE A 36 -7.970 -3.454 3.922 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.092 -2.265 3.809 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.517 -2.752 2.792 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.632 -1.553 2.686 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.343 -1.794 2.180 1.00 0.00 C ATOM 0 H PHE A 36 -10.368 -5.006 7.826 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.001 -3.613 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.597 -5.043 5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.823 -3.823 5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.332 -4.188 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.089 -2.092 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.533 -2.949 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.270 -0.821 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.988 -1.243 1.322 1.00 0.00 H new ATOM 492 N ASN A 37 -8.545 -1.448 8.056 1.00 0.00 N ATOM 493 CA ASN A 37 -8.843 -0.153 8.668 1.00 0.00 C ATOM 494 C ASN A 37 -7.769 0.916 8.397 1.00 0.00 C ATOM 495 O ASN A 37 -6.676 0.600 7.932 1.00 0.00 O ATOM 496 CB ASN A 37 -8.978 -0.384 10.195 1.00 0.00 C ATOM 497 CG ASN A 37 -10.064 -1.384 10.600 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.245 -1.160 10.383 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.708 -2.498 11.217 1.00 0.00 N ATOM 0 H ASN A 37 -7.556 -1.698 8.081 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.763 0.231 8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.020 -0.733 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.187 0.572 10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.419 -3.168 11.511 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.722 -2.687 11.399 1.00 0.00 H new ATOM 506 N CYS A 38 -8.065 2.190 8.715 1.00 0.00 N ATOM 507 CA CYS A 38 -7.139 3.320 8.533 1.00 0.00 C ATOM 508 C CYS A 38 -5.927 3.156 9.447 1.00 0.00 C ATOM 509 O CYS A 38 -6.104 3.378 10.643 1.00 0.00 O ATOM 510 CB CYS A 38 -7.796 4.680 8.891 1.00 0.00 C ATOM 511 SG CYS A 38 -6.719 6.076 8.473 1.00 0.00 S ATOM 0 H CYS A 38 -8.964 2.465 9.110 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.854 3.319 7.481 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.742 4.778 8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.026 4.704 9.956 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.311 7.190 8.788 1.00 0.00 H new ATOM 516 N GLY A 39 -4.719 2.972 8.910 1.00 0.00 N ATOM 517 CA GLY A 39 -3.495 2.797 9.702 1.00 0.00 C ATOM 518 C GLY A 39 -3.177 3.930 10.687 1.00 0.00 C ATOM 519 O GLY A 39 -2.409 3.751 11.628 1.00 0.00 O ATOM 0 H GLY A 39 -4.559 2.940 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.575 1.865 10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.653 2.687 9.018 1.00 0.00 H new ATOM 523 N LYS A 40 -3.776 5.107 10.488 1.00 0.00 N ATOM 524 CA LYS A 40 -3.593 6.283 11.336 1.00 0.00 C ATOM 525 C LYS A 40 -4.620 6.423 12.447 1.00 0.00 C ATOM 526 O LYS A 40 -4.422 7.252 13.324 1.00 0.00 O ATOM 527 CB LYS A 40 -3.680 7.555 10.475 1.00 0.00 C ATOM 528 CG LYS A 40 -2.291 7.905 9.963 1.00 0.00 C ATOM 529 CD LYS A 40 -2.260 9.189 9.124 1.00 0.00 C ATOM 530 CE LYS A 40 -0.849 9.642 8.706 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.204 8.746 7.720 1.00 0.00 N ATOM 0 H LYS A 40 -4.418 5.270 9.712 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.616 6.153 11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.360 7.397 9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.083 8.380 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.616 8.017 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.913 7.077 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.860 9.037 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.733 9.991 9.691 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.909 10.646 8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.219 9.704 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.795 8.611 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.688 7.826 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.265 9.171 6.773 1.00 0.00 H new ATOM 545 N CYS A 41 -5.758 5.735 12.376 1.00 0.00 N ATOM 546 CA CYS A 41 -6.775 5.885 13.402 1.00 0.00 C ATOM 547 C CYS A 41 -7.602 4.664 13.795 1.00 0.00 C ATOM 548 O CYS A 41 -8.266 4.748 14.822 1.00 0.00 O ATOM 549 CB CYS A 41 -7.785 6.904 12.870 1.00 0.00 C ATOM 550 SG CYS A 41 -9.173 6.189 11.947 1.00 0.00 S ATOM 0 H CYS A 41 -5.992 5.080 11.630 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.212 6.152 14.296 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.181 7.474 13.710 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.262 7.609 12.224 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.964 7.140 11.547 1.00 0.00 H new ATOM 555 N SER A 42 -7.682 3.624 12.957 1.00 0.00 N ATOM 556 CA SER A 42 -8.475 2.429 13.238 1.00 0.00 C ATOM 557 C SER A 42 -9.970 2.721 12.991 1.00 0.00 C ATOM 558 O SER A 42 -10.710 3.095 13.897 1.00 0.00 O ATOM 559 CB SER A 42 -8.204 1.877 14.656 1.00 0.00 C ATOM 560 OG SER A 42 -6.825 1.948 14.989 1.00 0.00 O ATOM 0 H SER A 42 -7.195 3.591 12.061 1.00 0.00 H new ATOM 0 HA SER A 42 -8.170 1.639 12.551 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.785 2.443 15.385 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.540 0.842 14.715 1.00 0.00 H new ATOM 0 HG SER A 42 -6.688 1.593 15.892 1.00 0.00 H new ATOM 566 N VAL A 43 -10.411 2.682 11.729 1.00 0.00 N ATOM 567 CA VAL A 43 -11.781 2.876 11.277 1.00 0.00 C ATOM 568 C VAL A 43 -11.932 2.011 10.031 1.00 0.00 C ATOM 569 O VAL A 43 -10.997 1.992 9.220 1.00 0.00 O ATOM 570 CB VAL A 43 -12.076 4.354 10.988 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.373 4.934 9.749 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.577 4.574 10.823 1.00 0.00 C ATOM 0 H VAL A 43 -9.775 2.502 10.952 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.499 2.586 12.045 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.677 4.882 11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.647 5.983 9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.293 4.853 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.680 4.378 8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.770 5.627 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.944 3.970 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.090 4.282 11.739 1.00 0.00 H new ATOM 582 N SER A 44 -13.091 1.379 9.868 1.00 0.00 N ATOM 583 CA SER A 44 -13.408 0.505 8.757 1.00 0.00 C ATOM 584 C SER A 44 -13.301 1.183 7.397 1.00 0.00 C ATOM 585 O SER A 44 -13.969 2.185 7.122 1.00 0.00 O ATOM 586 CB SER A 44 -14.807 -0.077 8.969 1.00 0.00 C ATOM 587 OG SER A 44 -15.023 -1.130 8.055 1.00 0.00 O ATOM 0 H SER A 44 -13.859 1.469 10.533 1.00 0.00 H new ATOM 0 HA SER A 44 -12.663 -0.291 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.909 -0.442 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.560 0.699 8.831 1.00 0.00 H new ATOM 0 HG SER A 44 -15.918 -1.504 8.192 1.00 0.00 H new ATOM 593 N LEU A 45 -12.449 0.624 6.537 1.00 0.00 N ATOM 594 CA LEU A 45 -12.234 1.099 5.172 1.00 0.00 C ATOM 595 C LEU A 45 -13.032 0.235 4.195 1.00 0.00 C ATOM 596 O LEU A 45 -12.942 0.458 2.995 1.00 0.00 O ATOM 597 CB LEU A 45 -10.733 1.084 4.826 1.00 0.00 C ATOM 598 CG LEU A 45 -9.892 2.146 5.549 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.425 2.007 5.125 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.377 3.573 5.254 1.00 0.00 C ATOM 0 H LEU A 45 -11.879 -0.187 6.775 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.583 2.128 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.330 0.099 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.622 1.223 3.751 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.998 1.978 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.825 2.760 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.063 1.013 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.343 2.149 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.751 4.288 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.314 3.765 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.411 3.681 5.582 1.00 0.00 H new ATOM 612 N VAL A 46 -13.796 -0.746 4.677 1.00 0.00 N ATOM 613 CA VAL A 46 -14.610 -1.621 3.847 1.00 0.00 C ATOM 614 C VAL A 46 -15.655 -0.744 3.139 1.00 0.00 C ATOM 615 O VAL A 46 -16.200 0.191 3.745 1.00 0.00 O ATOM 616 CB VAL A 46 -15.247 -2.710 4.744 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.039 -3.741 3.927 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.185 -3.478 5.554 1.00 0.00 C ATOM 0 H VAL A 46 -13.864 -0.955 5.673 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.024 -2.137 3.087 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.918 -2.175 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.468 -4.485 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.839 -3.238 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.373 -4.233 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.673 -4.233 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.487 -3.963 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.642 -2.782 6.194 1.00 0.00 H new ATOM 628 N GLY A 47 -15.942 -1.032 1.868 1.00 0.00 N ATOM 629 CA GLY A 47 -16.910 -0.322 1.043 1.00 0.00 C ATOM 630 C GLY A 47 -16.374 0.991 0.508 1.00 0.00 C ATOM 631 O GLY A 47 -16.285 1.192 -0.706 1.00 0.00 O ATOM 0 H GLY A 47 -15.486 -1.797 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -17.203 -0.957 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.809 -0.131 1.629 1.00 0.00 H new ATOM 635 N LYS A 48 -16.050 1.899 1.425 1.00 0.00 N ATOM 636 CA LYS A 48 -15.535 3.220 1.109 1.00 0.00 C ATOM 637 C LYS A 48 -14.203 3.165 0.364 1.00 0.00 C ATOM 638 O LYS A 48 -13.510 2.147 0.365 1.00 0.00 O ATOM 639 CB LYS A 48 -15.386 4.021 2.411 1.00 0.00 C ATOM 640 CG LYS A 48 -14.254 3.561 3.339 1.00 0.00 C ATOM 641 CD LYS A 48 -13.997 4.605 4.428 1.00 0.00 C ATOM 642 CE LYS A 48 -12.961 5.661 4.011 1.00 0.00 C ATOM 643 NZ LYS A 48 -13.456 6.628 3.007 1.00 0.00 N ATOM 0 H LYS A 48 -16.141 1.730 2.427 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.245 3.710 0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.222 5.068 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.327 3.969 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.516 2.607 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.345 3.399 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.935 5.102 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.653 4.103 5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.637 6.207 4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.083 5.155 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.999 7.550 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.232 6.282 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.486 6.733 3.104 1.00 0.00 H new ATOM 657 N GLY A 49 -13.818 4.287 -0.233 1.00 0.00 N ATOM 658 CA GLY A 49 -12.553 4.384 -0.931 1.00 0.00 C ATOM 659 C GLY A 49 -11.472 4.608 0.125 1.00 0.00 C ATOM 660 O GLY A 49 -11.737 5.094 1.236 1.00 0.00 O ATOM 0 H GLY A 49 -14.371 5.144 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.355 3.474 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.570 5.207 -1.645 1.00 0.00 H new ATOM 664 N PHE A 50 -10.238 4.253 -0.206 1.00 0.00 N ATOM 665 CA PHE A 50 -9.077 4.399 0.658 1.00 0.00 C ATOM 666 C PHE A 50 -7.922 4.908 -0.191 1.00 0.00 C ATOM 667 O PHE A 50 -8.030 4.977 -1.416 1.00 0.00 O ATOM 668 CB PHE A 50 -8.752 3.066 1.348 1.00 0.00 C ATOM 669 CG PHE A 50 -8.366 1.952 0.393 1.00 0.00 C ATOM 670 CD1 PHE A 50 -7.061 1.901 -0.136 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.316 0.989 -0.001 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.717 0.919 -1.076 1.00 0.00 C ATOM 673 CE2 PHE A 50 -8.951 -0.028 -0.902 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.653 -0.063 -1.440 1.00 0.00 C ATOM 0 H PHE A 50 -10.011 3.843 -1.112 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.273 5.117 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.936 3.224 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.619 2.749 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.323 2.621 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.323 1.031 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.733 0.918 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.670 -0.784 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.376 -0.844 -2.132 1.00 0.00 H new ATOM 684 N LEU A 51 -6.842 5.328 0.459 1.00 0.00 N ATOM 685 CA LEU A 51 -5.659 5.862 -0.195 1.00 0.00 C ATOM 686 C LEU A 51 -4.462 5.019 0.226 1.00 0.00 C ATOM 687 O LEU A 51 -4.505 4.358 1.271 1.00 0.00 O ATOM 688 CB LEU A 51 -5.438 7.330 0.215 1.00 0.00 C ATOM 689 CG LEU A 51 -6.429 8.383 -0.309 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.850 8.201 0.235 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.942 9.765 0.141 1.00 0.00 C ATOM 0 H LEU A 51 -6.766 5.305 1.476 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.785 5.827 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.445 7.377 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.439 7.621 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.467 8.275 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.498 8.976 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.228 7.221 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.836 8.276 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.631 10.529 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.900 9.799 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.948 9.951 -0.266 1.00 0.00 H new ATOM 703 N THR A 52 -3.389 5.103 -0.554 1.00 0.00 N ATOM 704 CA THR A 52 -2.145 4.393 -0.343 1.00 0.00 C ATOM 705 C THR A 52 -1.014 5.424 -0.365 1.00 0.00 C ATOM 706 O THR A 52 -0.879 6.196 -1.324 1.00 0.00 O ATOM 707 CB THR A 52 -2.012 3.293 -1.414 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.198 3.818 -2.711 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.055 2.188 -1.216 1.00 0.00 C ATOM 0 H THR A 52 -3.368 5.695 -1.384 1.00 0.00 H new ATOM 0 HA THR A 52 -2.107 3.886 0.621 1.00 0.00 H new ATOM 0 HB THR A 52 -1.007 2.885 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.831 4.726 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.932 1.429 -1.989 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.920 1.732 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.055 2.616 -1.283 1.00 0.00 H new ATOM 717 N GLN A 53 -0.326 5.587 0.765 1.00 0.00 N ATOM 718 CA GLN A 53 0.801 6.497 0.931 1.00 0.00 C ATOM 719 C GLN A 53 1.792 5.789 1.857 1.00 0.00 C ATOM 720 O GLN A 53 1.372 5.019 2.721 1.00 0.00 O ATOM 721 CB GLN A 53 0.310 7.833 1.517 1.00 0.00 C ATOM 722 CG GLN A 53 1.343 8.970 1.478 1.00 0.00 C ATOM 723 CD GLN A 53 0.928 10.139 2.373 1.00 0.00 C ATOM 724 OE1 GLN A 53 -0.134 10.738 2.206 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.685 10.427 3.416 1.00 0.00 N ATOM 0 H GLN A 53 -0.547 5.071 1.617 1.00 0.00 H new ATOM 0 HA GLN A 53 1.284 6.735 -0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.579 8.149 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.007 7.671 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.313 8.592 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.461 9.320 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.566 9.933 3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.389 11.143 4.079 1.00 0.00 H new ATOM 734 N ASN A 54 3.091 6.060 1.726 1.00 0.00 N ATOM 735 CA ASN A 54 4.174 5.492 2.536 1.00 0.00 C ATOM 736 C ASN A 54 4.153 3.959 2.625 1.00 0.00 C ATOM 737 O ASN A 54 4.745 3.385 3.541 1.00 0.00 O ATOM 738 CB ASN A 54 4.216 6.173 3.923 1.00 0.00 C ATOM 739 CG ASN A 54 4.443 7.674 3.823 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.600 8.477 4.216 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.560 8.082 3.244 1.00 0.00 N ATOM 0 H ASN A 54 3.435 6.711 1.020 1.00 0.00 H new ATOM 0 HA ASN A 54 5.107 5.711 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.279 5.984 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.011 5.727 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.734 9.079 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.248 7.400 2.925 1.00 0.00 H new ATOM 748 N LYS A 55 3.556 3.285 1.638 1.00 0.00 N ATOM 749 CA LYS A 55 3.403 1.827 1.536 1.00 0.00 C ATOM 750 C LYS A 55 2.339 1.308 2.516 1.00 0.00 C ATOM 751 O LYS A 55 2.203 0.094 2.660 1.00 0.00 O ATOM 752 CB LYS A 55 4.742 1.060 1.660 1.00 0.00 C ATOM 753 CG LYS A 55 5.844 1.599 0.729 1.00 0.00 C ATOM 754 CD LYS A 55 7.125 0.759 0.711 1.00 0.00 C ATOM 755 CE LYS A 55 6.866 -0.635 0.133 1.00 0.00 C ATOM 756 NZ LYS A 55 8.115 -1.331 -0.222 1.00 0.00 N ATOM 0 H LYS A 55 3.142 3.769 0.841 1.00 0.00 H new ATOM 0 HA LYS A 55 3.048 1.623 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.089 1.115 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.571 0.007 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.449 1.658 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.095 2.615 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.887 1.265 0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.518 0.668 1.724 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.314 -1.231 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.236 -0.548 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.891 -2.270 -0.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.631 -0.777 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.706 -1.438 0.627 1.00 0.00 H new ATOM 770 N GLU A 56 1.567 2.186 3.158 1.00 0.00 N ATOM 771 CA GLU A 56 0.520 1.890 4.133 1.00 0.00 C ATOM 772 C GLU A 56 -0.864 2.212 3.539 1.00 0.00 C ATOM 773 O GLU A 56 -0.945 2.594 2.365 1.00 0.00 O ATOM 774 CB GLU A 56 0.823 2.698 5.406 1.00 0.00 C ATOM 775 CG GLU A 56 2.214 2.364 5.978 1.00 0.00 C ATOM 776 CD GLU A 56 2.556 3.199 7.204 1.00 0.00 C ATOM 777 OE1 GLU A 56 2.846 4.407 7.092 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.539 2.650 8.331 1.00 0.00 O ATOM 0 H GLU A 56 1.664 3.189 2.999 1.00 0.00 H new ATOM 0 HA GLU A 56 0.503 0.830 4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.768 3.763 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.061 2.491 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.251 1.307 6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.969 2.528 5.209 1.00 0.00 H new ATOM 785 N ILE A 57 -1.950 2.041 4.307 1.00 0.00 N ATOM 786 CA ILE A 57 -3.322 2.297 3.853 1.00 0.00 C ATOM 787 C ILE A 57 -4.018 3.305 4.785 1.00 0.00 C ATOM 788 O ILE A 57 -4.074 3.119 6.008 1.00 0.00 O ATOM 789 CB ILE A 57 -4.099 0.965 3.662 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.267 0.137 4.956 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.414 0.092 2.591 1.00 0.00 C ATOM 792 CD1 ILE A 57 -5.277 -1.012 4.837 1.00 0.00 C ATOM 0 H ILE A 57 -1.898 1.717 5.273 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.300 2.765 2.869 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.099 1.258 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.298 -0.273 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.581 0.801 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.970 -0.837 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.393 0.629 1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.394 -0.134 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.337 -1.544 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.258 -0.609 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.955 -1.700 4.056 1.00 0.00 H new ATOM 804 N PHE A 58 -4.584 4.391 4.235 1.00 0.00 N ATOM 805 CA PHE A 58 -5.256 5.422 5.029 1.00 0.00 C ATOM 806 C PHE A 58 -6.648 5.779 4.502 1.00 0.00 C ATOM 807 O PHE A 58 -7.056 5.413 3.402 1.00 0.00 O ATOM 808 CB PHE A 58 -4.348 6.659 5.171 1.00 0.00 C ATOM 809 CG PHE A 58 -2.965 6.373 5.749 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.821 5.698 6.979 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.809 6.740 5.035 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.545 5.347 7.453 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.533 6.407 5.514 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.404 5.703 6.720 1.00 0.00 C ATOM 0 H PHE A 58 -4.587 4.575 3.232 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.429 5.007 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.229 7.119 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.849 7.389 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.697 5.449 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.905 7.284 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.444 4.804 8.381 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.347 6.692 4.956 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.576 5.434 7.085 1.00 0.00 H new ATOM 824 N CYS A 59 -7.438 6.440 5.362 1.00 0.00 N ATOM 825 CA CYS A 59 -8.796 6.863 5.009 1.00 0.00 C ATOM 826 C CYS A 59 -8.643 8.243 4.341 1.00 0.00 C ATOM 827 O CYS A 59 -7.720 8.971 4.723 1.00 0.00 O ATOM 828 CB CYS A 59 -9.718 7.032 6.253 1.00 0.00 C ATOM 829 SG CYS A 59 -9.796 8.683 6.925 1.00 0.00 S ATOM 0 H CYS A 59 -7.156 6.692 6.309 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.254 6.108 4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.727 6.720 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.374 6.355 7.035 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.593 8.696 7.952 1.00 0.00 H new ATOM 834 N GLN A 60 -9.599 8.678 3.513 1.00 0.00 N ATOM 835 CA GLN A 60 -9.542 9.990 2.858 1.00 0.00 C ATOM 836 C GLN A 60 -9.431 11.099 3.908 1.00 0.00 C ATOM 837 O GLN A 60 -8.518 11.899 3.830 1.00 0.00 O ATOM 838 CB GLN A 60 -10.743 10.185 1.912 1.00 0.00 C ATOM 839 CG GLN A 60 -10.449 11.118 0.720 1.00 0.00 C ATOM 840 CD GLN A 60 -10.487 12.625 0.974 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.708 13.110 2.085 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.287 13.413 -0.065 1.00 0.00 N ATOM 0 H GLN A 60 -10.430 8.134 3.279 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.648 10.042 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.056 9.213 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.580 10.590 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.461 10.867 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.167 10.892 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.104 13.009 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.315 14.426 0.050 1.00 0.00 H new ATOM 851 N LYS A 61 -10.244 11.089 4.973 1.00 0.00 N ATOM 852 CA LYS A 61 -10.203 12.107 6.038 1.00 0.00 C ATOM 853 C LYS A 61 -8.801 12.318 6.632 1.00 0.00 C ATOM 854 O LYS A 61 -8.476 13.414 7.069 1.00 0.00 O ATOM 855 CB LYS A 61 -11.193 11.728 7.157 1.00 0.00 C ATOM 856 CG LYS A 61 -11.855 12.919 7.854 1.00 0.00 C ATOM 857 CD LYS A 61 -12.934 13.551 6.962 1.00 0.00 C ATOM 858 CE LYS A 61 -13.966 14.319 7.790 1.00 0.00 C ATOM 859 NZ LYS A 61 -15.088 14.799 6.953 1.00 0.00 N ATOM 0 H LYS A 61 -10.953 10.372 5.123 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.489 13.052 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.972 11.092 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.666 11.134 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.301 12.593 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.100 13.665 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.466 14.226 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.434 12.772 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.351 13.675 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.485 15.168 8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.768 15.315 7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.723 15.433 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.562 13.987 6.509 1.00 0.00 H new ATOM 873 N CYS A 62 -8.020 11.241 6.781 1.00 0.00 N ATOM 874 CA CYS A 62 -6.655 11.280 7.310 1.00 0.00 C ATOM 875 C CYS A 62 -5.658 11.658 6.206 1.00 0.00 C ATOM 876 O CYS A 62 -4.648 12.293 6.499 1.00 0.00 O ATOM 877 CB CYS A 62 -6.237 9.975 8.045 1.00 0.00 C ATOM 878 SG CYS A 62 -6.529 9.921 9.823 1.00 0.00 S ATOM 0 H CYS A 62 -8.327 10.301 6.532 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.638 12.058 8.073 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.769 9.141 7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.174 9.811 7.869 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.134 8.775 10.293 1.00 0.00 H new ATOM 883 N GLY A 63 -5.880 11.218 4.970 1.00 0.00 N ATOM 884 CA GLY A 63 -5.038 11.503 3.815 1.00 0.00 C ATOM 885 C GLY A 63 -5.652 12.629 2.986 1.00 0.00 C ATOM 886 O GLY A 63 -5.570 12.587 1.760 1.00 0.00 O ATOM 0 H GLY A 63 -6.682 10.631 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.038 11.786 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.930 10.607 3.203 1.00 0.00 H new ATOM 890 N SER A 64 -6.326 13.592 3.612 1.00 0.00 N ATOM 891 CA SER A 64 -6.984 14.680 2.918 1.00 0.00 C ATOM 892 C SER A 64 -5.966 15.563 2.213 1.00 0.00 C ATOM 893 O SER A 64 -4.923 15.896 2.782 1.00 0.00 O ATOM 894 CB SER A 64 -7.883 15.432 3.904 1.00 0.00 C ATOM 895 OG SER A 64 -7.328 15.498 5.204 1.00 0.00 O ATOM 0 H SER A 64 -6.427 13.633 4.626 1.00 0.00 H new ATOM 0 HA SER A 64 -7.628 14.295 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.055 16.443 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.855 14.940 3.952 1.00 0.00 H new ATOM 0 HG SER A 64 -7.732 14.806 5.768 1.00 0.00 H new ATOM 901 N GLY A 65 -6.318 16.020 1.017 1.00 0.00 N ATOM 902 CA GLY A 65 -5.484 16.853 0.168 1.00 0.00 C ATOM 903 C GLY A 65 -5.045 16.029 -1.040 1.00 0.00 C ATOM 904 O GLY A 65 -5.429 14.864 -1.194 1.00 0.00 O ATOM 0 H GLY A 65 -7.225 15.812 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.036 17.735 -0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.614 17.206 0.722 1.00 0.00 H new ATOM 908 N MET A 66 -4.299 16.658 -1.944 1.00 0.00 N ATOM 909 CA MET A 66 -3.785 16.006 -3.142 1.00 0.00 C ATOM 910 C MET A 66 -2.437 15.356 -2.836 1.00 0.00 C ATOM 911 O MET A 66 -2.101 14.346 -3.453 1.00 0.00 O ATOM 912 CB MET A 66 -3.590 17.031 -4.270 1.00 0.00 C ATOM 913 CG MET A 66 -4.900 17.702 -4.689 1.00 0.00 C ATOM 914 SD MET A 66 -4.773 18.837 -6.091 1.00 0.00 S ATOM 915 CE MET A 66 -3.587 20.045 -5.427 1.00 0.00 C ATOM 0 H MET A 66 -4.033 17.640 -1.864 1.00 0.00 H new ATOM 0 HA MET A 66 -4.505 15.251 -3.458 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.883 17.794 -3.944 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.148 16.535 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.624 16.925 -4.936 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.298 18.249 -3.835 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.533 20.906 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.914 20.370 -4.439 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.602 19.584 -5.350 1.00 0.00 H new ATOM 925 N ASP A 67 -1.696 15.901 -1.862 1.00 0.00 N ATOM 926 CA ASP A 67 -0.364 15.462 -1.432 1.00 0.00 C ATOM 927 C ASP A 67 0.604 15.352 -2.616 1.00 0.00 C ATOM 928 O ASP A 67 1.462 14.477 -2.687 1.00 0.00 O ATOM 929 CB ASP A 67 -0.376 14.226 -0.517 1.00 0.00 C ATOM 930 CG ASP A 67 0.976 14.106 0.198 1.00 0.00 C ATOM 931 OD1 ASP A 67 1.322 15.044 0.954 1.00 0.00 O ATOM 932 OD2 ASP A 67 1.716 13.120 -0.017 1.00 0.00 O ATOM 0 H ASP A 67 -2.028 16.702 -1.325 1.00 0.00 H new ATOM 0 HA ASP A 67 0.025 16.251 -0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.180 14.309 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.570 13.328 -1.103 1.00 0.00 H new ATOM 937 N THR A 68 0.428 16.238 -3.586 1.00 0.00 N ATOM 938 CA THR A 68 1.202 16.383 -4.801 1.00 0.00 C ATOM 939 C THR A 68 0.910 17.812 -5.287 1.00 0.00 C ATOM 940 O THR A 68 0.151 18.540 -4.632 1.00 0.00 O ATOM 941 CB THR A 68 0.871 15.239 -5.789 1.00 0.00 C ATOM 942 OG1 THR A 68 1.839 15.173 -6.816 1.00 0.00 O ATOM 943 CG2 THR A 68 -0.504 15.313 -6.453 1.00 0.00 C ATOM 0 H THR A 68 -0.322 16.928 -3.535 1.00 0.00 H new ATOM 0 HA THR A 68 2.279 16.280 -4.669 1.00 0.00 H new ATOM 0 HB THR A 68 0.871 14.348 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.615 14.443 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.630 14.464 -7.124 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.280 15.289 -5.687 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.584 16.240 -7.021 1.00 0.00 H new ATOM 951 N ASP A 69 1.573 18.220 -6.372 1.00 0.00 N ATOM 952 CA ASP A 69 1.484 19.516 -7.049 1.00 0.00 C ATOM 953 C ASP A 69 1.259 20.690 -6.097 1.00 0.00 C ATOM 954 O ASP A 69 0.424 21.568 -6.309 1.00 0.00 O ATOM 955 CB ASP A 69 0.518 19.471 -8.242 1.00 0.00 C ATOM 956 CG ASP A 69 -0.983 19.527 -7.917 1.00 0.00 C ATOM 957 OD1 ASP A 69 -1.507 18.528 -7.379 1.00 0.00 O ATOM 958 OD2 ASP A 69 -1.648 20.502 -8.344 1.00 0.00 O ATOM 0 H ASP A 69 2.239 17.603 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 69 2.468 19.716 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.754 20.305 -8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.711 18.556 -8.802 1.00 0.00 H new ATOM 963 N ILE A 70 2.075 20.733 -5.040 1.00 0.00 N ATOM 964 CA ILE A 70 2.045 21.742 -3.989 1.00 0.00 C ATOM 965 C ILE A 70 2.335 23.142 -4.563 1.00 0.00 C ATOM 966 O ILE A 70 2.035 24.153 -3.927 1.00 0.00 O ATOM 967 CB ILE A 70 2.973 21.316 -2.816 1.00 0.00 C ATOM 968 CG1 ILE A 70 2.735 19.850 -2.353 1.00 0.00 C ATOM 969 CG2 ILE A 70 2.738 22.223 -1.590 1.00 0.00 C ATOM 970 CD1 ILE A 70 3.624 18.794 -3.032 1.00 0.00 C ATOM 0 H ILE A 70 2.803 20.034 -4.891 1.00 0.00 H new ATOM 0 HA ILE A 70 1.043 21.814 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 70 3.990 21.407 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.893 19.796 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.691 19.594 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.394 21.913 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.954 23.258 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.699 22.140 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.380 17.807 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.451 18.810 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.672 19.016 -2.830 1.00 0.00 H new ATOM 982 N SER A 71 2.926 23.253 -5.754 1.00 0.00 N ATOM 983 CA SER A 71 3.226 24.520 -6.405 1.00 0.00 C ATOM 984 C SER A 71 3.369 24.286 -7.904 1.00 0.00 C ATOM 985 O SER A 71 4.248 23.532 -8.335 1.00 0.00 O ATOM 986 CB SER A 71 4.510 25.118 -5.816 1.00 0.00 C ATOM 987 OG SER A 71 4.253 25.656 -4.526 1.00 0.00 O ATOM 0 H SER A 71 3.214 22.442 -6.302 1.00 0.00 H new ATOM 0 HA SER A 71 2.416 25.229 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.281 24.350 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.892 25.898 -6.474 1.00 0.00 H new ATOM 0 HG SER A 71 3.395 25.318 -4.196 1.00 0.00 H new ATOM 993 N GLY A 72 2.514 24.921 -8.698 1.00 0.00 N ATOM 994 CA GLY A 72 2.490 24.850 -10.152 1.00 0.00 C ATOM 995 C GLY A 72 2.871 26.210 -10.744 1.00 0.00 C ATOM 996 O GLY A 72 2.985 27.187 -10.000 1.00 0.00 O ATOM 0 H GLY A 72 1.784 25.528 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.184 24.085 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.497 24.559 -10.495 1.00 0.00 H new ATOM 1000 N PRO A 73 3.040 26.312 -12.072 1.00 0.00 N ATOM 1001 CA PRO A 73 3.411 27.545 -12.768 1.00 0.00 C ATOM 1002 C PRO A 73 2.214 28.505 -12.936 1.00 0.00 C ATOM 1003 O PRO A 73 2.026 29.059 -14.019 1.00 0.00 O ATOM 1004 CB PRO A 73 3.973 27.040 -14.109 1.00 0.00 C ATOM 1005 CG PRO A 73 3.069 25.845 -14.408 1.00 0.00 C ATOM 1006 CD PRO A 73 2.924 25.214 -13.024 1.00 0.00 C ATOM 0 HA PRO A 73 4.136 28.144 -12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.914 27.800 -14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.020 26.748 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.108 26.152 -14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.520 25.160 -15.125 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.963 24.709 -12.923 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.697 24.465 -12.853 1.00 0.00 H new ATOM 1014 N SER A 74 1.394 28.696 -11.894 1.00 0.00 N ATOM 1015 CA SER A 74 0.211 29.562 -11.916 1.00 0.00 C ATOM 1016 C SER A 74 -0.735 29.176 -13.068 1.00 0.00 C ATOM 1017 O SER A 74 -1.300 30.037 -13.741 1.00 0.00 O ATOM 1018 CB SER A 74 0.643 31.036 -11.958 1.00 0.00 C ATOM 1019 OG SER A 74 1.547 31.332 -10.903 1.00 0.00 O ATOM 0 H SER A 74 1.539 28.242 -10.992 1.00 0.00 H new ATOM 0 HA SER A 74 -0.360 29.420 -10.999 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.114 31.253 -12.917 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.234 31.678 -11.881 1.00 0.00 H new ATOM 0 HG SER A 74 1.809 32.275 -10.952 1.00 0.00 H new ATOM 1025 N SER A 75 -0.913 27.866 -13.263 1.00 0.00 N ATOM 1026 CA SER A 75 -1.725 27.225 -14.289 1.00 0.00 C ATOM 1027 C SER A 75 -3.163 27.741 -14.409 1.00 0.00 C ATOM 1028 O SER A 75 -3.676 27.811 -15.529 1.00 0.00 O ATOM 1029 CB SER A 75 -1.724 25.717 -14.003 1.00 0.00 C ATOM 1030 OG SER A 75 -0.403 25.263 -13.743 1.00 0.00 O ATOM 0 H SER A 75 -0.458 27.180 -12.661 1.00 0.00 H new ATOM 0 HA SER A 75 -1.274 27.469 -15.251 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.364 25.502 -13.147 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.139 25.179 -14.855 1.00 0.00 H new ATOM 0 HG SER A 75 -0.418 24.300 -13.561 1.00 0.00 H new ATOM 1036 N GLY A 76 -3.815 28.097 -13.303 1.00 0.00 N ATOM 1037 CA GLY A 76 -5.179 28.593 -13.260 1.00 0.00 C ATOM 1038 C GLY A 76 -5.824 28.052 -12.006 1.00 0.00 C ATOM 1039 O GLY A 76 -5.109 27.868 -11.001 1.00 0.00 O ATOM 0 H GLY A 76 -3.386 28.044 -12.379 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.190 29.683 -13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.731 28.272 -14.143 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.331 -10.305 11.772 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.867 8.056 9.625 1.00 0.00 ZN