USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=29 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 66 MET CE :methyl 171:sc= -0.0187 (180deg=-0.161) USER MOD Set 1.2: A 68 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 38 CYS SG : rot 180:sc= 0.885 USER MOD Set 2.2: A 62 CYS SG : rot 170:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot 173:sc= 0.116 USER MOD Set 3.2: A 32 HIS : no HD1:sc= -0.967 K(o=-0.85,f=-5.1) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0361 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 48:sc= 0.0121 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.627 USER MOD Single : A 12 SER OG : rot -20:sc= 1.01 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 -46:sc= 0.117 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.00813 USER MOD Single : A 27 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.29) USER MOD Single : A 29 SER OG : rot -109:sc= 1.34 USER MOD Single : A 30 GLN : amide:sc= -0.0248 K(o=-0.025,f=-3!) USER MOD Single : A 33 SER OG : rot 118:sc= 1.24 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.378 USER MOD Single : A 37 ASN : amide:sc= 0.607! C(o=0.61!,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 41 CYS SG : rot 180:sc= -4.43! USER MOD Single : A 42 SER OG : rot -12:sc= 0.532 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.41 (180deg=1.31) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.63) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,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= 0.55 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.192 -29.141 13.121 1.00 0.00 N ATOM 2 CA GLY A 1 4.139 -29.752 11.790 1.00 0.00 C ATOM 3 C GLY A 1 4.324 -28.697 10.717 1.00 0.00 C ATOM 4 O GLY A 1 5.077 -27.737 10.915 1.00 0.00 O ATOM 0 H1 GLY A 1 4.804 -29.710 13.740 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.576 -28.177 13.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.234 -29.102 13.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.916 -30.511 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.183 -30.256 11.652 1.00 0.00 H new ATOM 8 N SER A 2 3.637 -28.855 9.583 1.00 0.00 N ATOM 9 CA SER A 2 3.705 -27.942 8.451 1.00 0.00 C ATOM 10 C SER A 2 2.276 -27.588 8.029 1.00 0.00 C ATOM 11 O SER A 2 1.677 -28.220 7.153 1.00 0.00 O ATOM 12 CB SER A 2 4.556 -28.582 7.346 1.00 0.00 C ATOM 13 OG SER A 2 5.039 -27.624 6.421 1.00 0.00 O ATOM 0 H SER A 2 3.005 -29.641 9.428 1.00 0.00 H new ATOM 0 HA SER A 2 4.196 -27.002 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.399 -29.107 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.962 -29.327 6.818 1.00 0.00 H new ATOM 0 HG SER A 2 5.577 -28.073 5.736 1.00 0.00 H new ATOM 19 N SER A 3 1.697 -26.633 8.749 1.00 0.00 N ATOM 20 CA SER A 3 0.359 -26.106 8.544 1.00 0.00 C ATOM 21 C SER A 3 0.391 -25.038 7.444 1.00 0.00 C ATOM 22 O SER A 3 -0.550 -24.933 6.660 1.00 0.00 O ATOM 23 CB SER A 3 -0.090 -25.498 9.886 1.00 0.00 C ATOM 24 OG SER A 3 -1.377 -24.913 9.842 1.00 0.00 O ATOM 0 H SER A 3 2.176 -26.185 9.530 1.00 0.00 H new ATOM 0 HA SER A 3 -0.336 -26.884 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.080 -26.276 10.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.633 -24.742 10.192 1.00 0.00 H new ATOM 0 HG SER A 3 -1.601 -24.548 10.724 1.00 0.00 H new ATOM 30 N GLY A 4 1.489 -24.291 7.321 1.00 0.00 N ATOM 31 CA GLY A 4 1.661 -23.206 6.359 1.00 0.00 C ATOM 32 C GLY A 4 1.441 -21.887 7.106 1.00 0.00 C ATOM 33 O GLY A 4 1.208 -21.906 8.321 1.00 0.00 O ATOM 0 H GLY A 4 2.310 -24.431 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.659 -23.237 5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.950 -23.305 5.539 1.00 0.00 H new ATOM 37 N SER A 5 1.523 -20.737 6.431 1.00 0.00 N ATOM 38 CA SER A 5 1.336 -19.459 7.116 1.00 0.00 C ATOM 39 C SER A 5 0.739 -18.349 6.237 1.00 0.00 C ATOM 40 O SER A 5 1.258 -17.227 6.188 1.00 0.00 O ATOM 41 CB SER A 5 2.632 -19.079 7.857 1.00 0.00 C ATOM 42 OG SER A 5 3.808 -19.341 7.104 1.00 0.00 O ATOM 0 H SER A 5 1.714 -20.666 5.432 1.00 0.00 H new ATOM 0 HA SER A 5 0.556 -19.586 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.600 -18.019 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.680 -19.630 8.796 1.00 0.00 H new ATOM 0 HG SER A 5 4.595 -19.078 7.625 1.00 0.00 H new ATOM 48 N SER A 6 -0.361 -18.647 5.542 1.00 0.00 N ATOM 49 CA SER A 6 -1.068 -17.704 4.678 1.00 0.00 C ATOM 50 C SER A 6 -2.379 -17.316 5.382 1.00 0.00 C ATOM 51 O SER A 6 -3.477 -17.726 4.989 1.00 0.00 O ATOM 52 CB SER A 6 -1.222 -18.303 3.273 1.00 0.00 C ATOM 53 OG SER A 6 -1.796 -19.597 3.305 1.00 0.00 O ATOM 0 H SER A 6 -0.793 -19.571 5.566 1.00 0.00 H new ATOM 0 HA SER A 6 -0.514 -16.779 4.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.844 -17.646 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.245 -18.352 2.791 1.00 0.00 H new ATOM 0 HG SER A 6 -2.591 -19.588 3.878 1.00 0.00 H new ATOM 59 N GLY A 7 -2.262 -16.581 6.489 1.00 0.00 N ATOM 60 CA GLY A 7 -3.368 -16.123 7.320 1.00 0.00 C ATOM 61 C GLY A 7 -3.558 -14.608 7.263 1.00 0.00 C ATOM 62 O GLY A 7 -3.048 -13.931 6.370 1.00 0.00 O ATOM 0 H GLY A 7 -1.355 -16.278 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.287 -16.613 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.191 -16.425 8.352 1.00 0.00 H new ATOM 66 N CYS A 8 -4.374 -14.071 8.183 1.00 0.00 N ATOM 67 CA CYS A 8 -4.638 -12.634 8.271 1.00 0.00 C ATOM 68 C CYS A 8 -3.369 -11.984 8.801 1.00 0.00 C ATOM 69 O CYS A 8 -3.117 -12.162 9.983 1.00 0.00 O ATOM 70 CB CYS A 8 -5.808 -12.292 9.243 1.00 0.00 C ATOM 71 SG CYS A 8 -6.606 -10.744 8.766 1.00 0.00 S ATOM 0 H CYS A 8 -4.867 -14.624 8.884 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.924 -12.271 7.284 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.539 -13.100 9.238 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.429 -12.212 10.262 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.664 -10.557 9.498 1.00 0.00 H new ATOM 76 N VAL A 9 -2.605 -11.222 8.029 1.00 0.00 N ATOM 77 CA VAL A 9 -1.382 -10.549 8.484 1.00 0.00 C ATOM 78 C VAL A 9 -1.573 -9.889 9.865 1.00 0.00 C ATOM 79 O VAL A 9 -0.718 -9.962 10.742 1.00 0.00 O ATOM 80 CB VAL A 9 -1.003 -9.469 7.441 1.00 0.00 C ATOM 81 CG1 VAL A 9 0.271 -8.704 7.799 1.00 0.00 C ATOM 82 CG2 VAL A 9 -0.856 -10.048 6.033 1.00 0.00 C ATOM 0 H VAL A 9 -2.818 -11.047 7.047 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.590 -11.291 8.582 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.837 -8.768 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.480 -7.963 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.137 -8.202 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.106 -9.401 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.590 -9.252 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.074 -10.807 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.799 -10.498 5.724 1.00 0.00 H new ATOM 92 N ALA A 10 -2.742 -9.284 10.076 1.00 0.00 N ATOM 93 CA ALA A 10 -3.127 -8.567 11.285 1.00 0.00 C ATOM 94 C ALA A 10 -3.383 -9.429 12.527 1.00 0.00 C ATOM 95 O ALA A 10 -3.656 -8.869 13.587 1.00 0.00 O ATOM 96 CB ALA A 10 -4.369 -7.739 10.947 1.00 0.00 C ATOM 0 H ALA A 10 -3.480 -9.282 9.372 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.273 -7.954 11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.689 -7.186 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.132 -7.039 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.171 -8.402 10.624 1.00 0.00 H new ATOM 102 N CYS A 11 -3.416 -10.763 12.423 1.00 0.00 N ATOM 103 CA CYS A 11 -3.651 -11.632 13.585 1.00 0.00 C ATOM 104 C CYS A 11 -3.123 -13.059 13.422 1.00 0.00 C ATOM 105 O CYS A 11 -3.219 -13.859 14.340 1.00 0.00 O ATOM 106 CB CYS A 11 -5.159 -11.699 13.885 1.00 0.00 C ATOM 107 SG CYS A 11 -6.118 -12.836 12.868 1.00 0.00 S ATOM 0 H CYS A 11 -3.283 -11.266 11.546 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.095 -11.181 14.407 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.289 -11.980 14.930 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.577 -10.699 13.769 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.366 -12.793 13.228 1.00 0.00 H new ATOM 112 N SER A 12 -2.609 -13.407 12.253 1.00 0.00 N ATOM 113 CA SER A 12 -2.064 -14.672 11.795 1.00 0.00 C ATOM 114 C SER A 12 -3.073 -15.831 11.768 1.00 0.00 C ATOM 115 O SER A 12 -2.674 -16.975 11.554 1.00 0.00 O ATOM 116 CB SER A 12 -0.761 -15.013 12.533 1.00 0.00 C ATOM 117 OG SER A 12 -0.999 -15.367 13.886 1.00 0.00 O ATOM 0 H SER A 12 -2.559 -12.714 11.506 1.00 0.00 H new ATOM 0 HA SER A 12 -1.816 -14.531 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.260 -15.837 12.024 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.087 -14.157 12.494 1.00 0.00 H new ATOM 0 HG SER A 12 -1.873 -15.023 14.165 1.00 0.00 H new ATOM 123 N LYS A 13 -4.372 -15.598 11.993 1.00 0.00 N ATOM 124 CA LYS A 13 -5.354 -16.689 11.967 1.00 0.00 C ATOM 125 C LYS A 13 -5.546 -17.178 10.541 1.00 0.00 C ATOM 126 O LYS A 13 -5.411 -16.367 9.617 1.00 0.00 O ATOM 127 CB LYS A 13 -6.722 -16.261 12.510 1.00 0.00 C ATOM 128 CG LYS A 13 -6.719 -16.239 14.047 1.00 0.00 C ATOM 129 CD LYS A 13 -6.929 -17.615 14.695 1.00 0.00 C ATOM 130 CE LYS A 13 -8.376 -18.097 14.514 1.00 0.00 C ATOM 131 NZ LYS A 13 -8.650 -19.328 15.279 1.00 0.00 N ATOM 0 H LYS A 13 -4.764 -14.678 12.192 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.959 -17.479 12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.976 -15.272 12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.490 -16.947 12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.770 -15.828 14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.502 -15.564 14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.244 -18.337 14.252 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.691 -17.560 15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.062 -17.312 14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.568 -18.278 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.637 -19.618 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.014 -20.085 14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.492 -19.150 16.291 1.00 0.00 H new ATOM 145 N PRO A 14 -5.931 -18.451 10.371 1.00 0.00 N ATOM 146 CA PRO A 14 -6.145 -19.013 9.059 1.00 0.00 C ATOM 147 C PRO A 14 -7.366 -18.359 8.432 1.00 0.00 C ATOM 148 O PRO A 14 -8.423 -18.230 9.066 1.00 0.00 O ATOM 149 CB PRO A 14 -6.312 -20.521 9.265 1.00 0.00 C ATOM 150 CG PRO A 14 -6.784 -20.654 10.709 1.00 0.00 C ATOM 151 CD PRO A 14 -6.124 -19.463 11.403 1.00 0.00 C ATOM 0 HA PRO A 14 -5.316 -18.834 8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.039 -20.940 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.373 -21.051 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.871 -20.612 10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.471 -21.601 11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.753 -19.084 12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.172 -19.750 11.850 1.00 0.00 H new ATOM 159 N ILE A 15 -7.204 -17.844 7.216 1.00 0.00 N ATOM 160 CA ILE A 15 -8.298 -17.223 6.482 1.00 0.00 C ATOM 161 C ILE A 15 -9.288 -18.356 6.188 1.00 0.00 C ATOM 162 O ILE A 15 -8.900 -19.511 5.983 1.00 0.00 O ATOM 163 CB ILE A 15 -7.795 -16.470 5.225 1.00 0.00 C ATOM 164 CG1 ILE A 15 -6.883 -15.276 5.591 1.00 0.00 C ATOM 165 CG2 ILE A 15 -8.949 -15.940 4.350 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.401 -14.364 6.699 1.00 0.00 C ATOM 0 H ILE A 15 -6.315 -17.846 6.716 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.793 -16.441 7.057 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.227 -17.210 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.910 -15.664 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.725 -14.675 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.540 -15.421 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.565 -16.775 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.559 -15.249 4.932 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.685 -13.562 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.358 -13.937 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.531 -14.941 7.615 1.00 0.00 H new ATOM 178 N SER A 16 -10.576 -18.040 6.247 1.00 0.00 N ATOM 179 CA SER A 16 -11.651 -18.986 6.001 1.00 0.00 C ATOM 180 C SER A 16 -11.534 -19.552 4.577 1.00 0.00 C ATOM 181 O SER A 16 -10.969 -18.894 3.701 1.00 0.00 O ATOM 182 CB SER A 16 -12.963 -18.249 6.241 1.00 0.00 C ATOM 183 OG SER A 16 -13.069 -17.860 7.606 1.00 0.00 O ATOM 0 H SER A 16 -10.906 -17.101 6.471 1.00 0.00 H new ATOM 0 HA SER A 16 -11.601 -19.843 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.016 -17.369 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.803 -18.890 5.972 1.00 0.00 H new ATOM 0 HG SER A 16 -13.915 -17.386 7.746 1.00 0.00 H new ATOM 189 N GLY A 17 -12.055 -20.758 4.351 1.00 0.00 N ATOM 190 CA GLY A 17 -12.010 -21.433 3.064 1.00 0.00 C ATOM 191 C GLY A 17 -13.104 -20.926 2.134 1.00 0.00 C ATOM 192 O GLY A 17 -12.849 -20.081 1.276 1.00 0.00 O ATOM 0 H GLY A 17 -12.528 -21.299 5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.035 -21.275 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.123 -22.507 3.210 1.00 0.00 H new ATOM 196 N LEU A 18 -14.326 -21.443 2.290 1.00 0.00 N ATOM 197 CA LEU A 18 -15.488 -21.077 1.484 1.00 0.00 C ATOM 198 C LEU A 18 -16.729 -21.129 2.377 1.00 0.00 C ATOM 199 O LEU A 18 -17.476 -22.109 2.382 1.00 0.00 O ATOM 200 CB LEU A 18 -15.570 -21.980 0.234 1.00 0.00 C ATOM 201 CG LEU A 18 -16.335 -21.349 -0.950 1.00 0.00 C ATOM 202 CD1 LEU A 18 -16.192 -22.254 -2.175 1.00 0.00 C ATOM 203 CD2 LEU A 18 -17.829 -21.133 -0.683 1.00 0.00 C ATOM 0 H LEU A 18 -14.537 -22.145 2.999 1.00 0.00 H new ATOM 0 HA LEU A 18 -15.407 -20.059 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.559 -22.226 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.054 -22.918 0.507 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.893 -20.365 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.729 -21.816 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.137 -22.355 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.607 -23.237 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.295 -20.687 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.303 -22.091 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.953 -20.467 0.171 1.00 0.00 H new ATOM 215 N THR A 19 -16.897 -20.097 3.207 1.00 0.00 N ATOM 216 CA THR A 19 -18.025 -19.964 4.128 1.00 0.00 C ATOM 217 C THR A 19 -18.721 -18.595 4.031 1.00 0.00 C ATOM 218 O THR A 19 -19.359 -18.152 4.991 1.00 0.00 O ATOM 219 CB THR A 19 -17.598 -20.406 5.542 1.00 0.00 C ATOM 220 OG1 THR A 19 -18.730 -20.692 6.340 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.707 -19.386 6.249 1.00 0.00 C ATOM 0 H THR A 19 -16.241 -19.318 3.258 1.00 0.00 H new ATOM 0 HA THR A 19 -18.820 -20.647 3.829 1.00 0.00 H new ATOM 0 HB THR A 19 -17.004 -21.310 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.390 -19.974 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.442 -19.758 7.239 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.800 -19.229 5.666 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.242 -18.442 6.348 1.00 0.00 H new ATOM 229 N GLY A 20 -18.548 -17.866 2.923 1.00 0.00 N ATOM 230 CA GLY A 20 -19.181 -16.561 2.760 1.00 0.00 C ATOM 231 C GLY A 20 -18.500 -15.431 3.535 1.00 0.00 C ATOM 232 O GLY A 20 -19.051 -14.329 3.572 1.00 0.00 O ATOM 0 H GLY A 20 -17.976 -18.160 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -19.191 -16.305 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -20.220 -16.631 3.081 1.00 0.00 H new ATOM 236 N ALA A 21 -17.356 -15.707 4.178 1.00 0.00 N ATOM 237 CA ALA A 21 -16.590 -14.734 4.945 1.00 0.00 C ATOM 238 C ALA A 21 -16.063 -13.647 4.003 1.00 0.00 C ATOM 239 O ALA A 21 -15.836 -13.903 2.818 1.00 0.00 O ATOM 240 CB ALA A 21 -15.436 -15.439 5.667 1.00 0.00 C ATOM 0 H ALA A 21 -16.935 -16.636 4.174 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.228 -14.266 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.865 -14.708 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.837 -16.196 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.785 -15.915 4.934 1.00 0.00 H new ATOM 246 N LYS A 22 -15.824 -12.454 4.541 1.00 0.00 N ATOM 247 CA LYS A 22 -15.340 -11.305 3.794 1.00 0.00 C ATOM 248 C LYS A 22 -13.864 -11.105 4.075 1.00 0.00 C ATOM 249 O LYS A 22 -13.464 -10.854 5.218 1.00 0.00 O ATOM 250 CB LYS A 22 -16.128 -10.043 4.162 1.00 0.00 C ATOM 251 CG LYS A 22 -17.630 -10.093 3.843 1.00 0.00 C ATOM 252 CD LYS A 22 -18.441 -10.647 5.021 1.00 0.00 C ATOM 253 CE LYS A 22 -19.934 -10.575 4.708 1.00 0.00 C ATOM 254 NZ LYS A 22 -20.742 -11.130 5.809 1.00 0.00 N ATOM 0 H LYS A 22 -15.966 -12.259 5.532 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.483 -11.492 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.006 -9.856 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.689 -9.194 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.983 -9.092 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.795 -10.715 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.152 -11.679 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.222 -10.077 5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.221 -9.538 4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.142 -11.124 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.751 -11.066 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.485 -12.126 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.561 -10.590 6.679 1.00 0.00 H new ATOM 268 N PHE A 23 -13.047 -11.227 3.037 1.00 0.00 N ATOM 269 CA PHE A 23 -11.610 -11.056 3.116 1.00 0.00 C ATOM 270 C PHE A 23 -11.201 -10.180 1.949 1.00 0.00 C ATOM 271 O PHE A 23 -11.515 -10.469 0.795 1.00 0.00 O ATOM 272 CB PHE A 23 -10.883 -12.404 3.138 1.00 0.00 C ATOM 273 CG PHE A 23 -11.404 -13.457 2.178 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.945 -13.485 0.848 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.352 -14.405 2.609 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.432 -14.455 -0.043 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.844 -15.371 1.715 1.00 0.00 C ATOM 278 CZ PHE A 23 -12.381 -15.394 0.390 1.00 0.00 C ATOM 0 H PHE A 23 -13.376 -11.453 2.098 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.325 -10.572 4.050 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.830 -12.230 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.935 -12.806 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.218 -12.760 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.702 -14.390 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.076 -14.478 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.576 -16.093 2.046 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.756 -16.137 -0.298 1.00 0.00 H new ATOM 288 N ILE A 24 -10.601 -9.044 2.269 1.00 0.00 N ATOM 289 CA ILE A 24 -10.140 -8.094 1.273 1.00 0.00 C ATOM 290 C ILE A 24 -8.766 -8.586 0.816 1.00 0.00 C ATOM 291 O ILE A 24 -8.086 -9.273 1.584 1.00 0.00 O ATOM 292 CB ILE A 24 -10.128 -6.667 1.859 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.379 -6.321 2.700 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.984 -5.622 0.735 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.723 -6.649 2.040 1.00 0.00 C ATOM 0 H ILE A 24 -10.420 -8.756 3.231 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.803 -8.036 0.409 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.269 -6.639 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.318 -6.855 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.357 -5.256 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.977 -4.621 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.051 -5.791 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.822 -5.713 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.536 -6.369 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.815 -6.094 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.776 -7.718 1.833 1.00 0.00 H new ATOM 307 N CYS A 25 -8.384 -8.259 -0.417 1.00 0.00 N ATOM 308 CA CYS A 25 -7.129 -8.640 -1.045 1.00 0.00 C ATOM 309 C CYS A 25 -6.474 -7.393 -1.639 1.00 0.00 C ATOM 310 O CYS A 25 -6.959 -6.853 -2.639 1.00 0.00 O ATOM 311 CB CYS A 25 -7.390 -9.729 -2.098 1.00 0.00 C ATOM 312 SG CYS A 25 -8.921 -9.483 -3.061 1.00 0.00 S ATOM 0 H CYS A 25 -8.972 -7.695 -1.031 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.440 -9.061 -0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.544 -9.766 -2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.439 -10.697 -1.600 1.00 0.00 H new ATOM 0 HG CYS A 25 -9.052 -10.448 -3.922 1.00 0.00 H new ATOM 318 N PHE A 26 -5.403 -6.901 -1.018 1.00 0.00 N ATOM 319 CA PHE A 26 -4.666 -5.718 -1.442 1.00 0.00 C ATOM 320 C PHE A 26 -3.183 -6.071 -1.541 1.00 0.00 C ATOM 321 O PHE A 26 -2.591 -6.507 -0.558 1.00 0.00 O ATOM 322 CB PHE A 26 -4.935 -4.550 -0.485 1.00 0.00 C ATOM 323 CG PHE A 26 -4.034 -3.365 -0.745 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.394 -2.404 -1.705 1.00 0.00 C ATOM 325 CD2 PHE A 26 -2.798 -3.265 -0.077 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.507 -1.358 -2.007 1.00 0.00 C ATOM 327 CE2 PHE A 26 -1.914 -2.220 -0.386 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.259 -1.276 -1.365 1.00 0.00 C ATOM 0 H PHE A 26 -5.014 -7.331 -0.179 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.001 -5.392 -2.427 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.975 -4.239 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.797 -4.888 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.348 -2.470 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.530 -3.994 0.674 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.785 -0.612 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.968 -2.142 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.567 -0.488 -1.625 1.00 0.00 H new ATOM 338 N GLN A 27 -2.575 -5.855 -2.712 1.00 0.00 N ATOM 339 CA GLN A 27 -1.165 -6.148 -2.975 1.00 0.00 C ATOM 340 C GLN A 27 -0.847 -7.565 -2.475 1.00 0.00 C ATOM 341 O GLN A 27 0.086 -7.785 -1.705 1.00 0.00 O ATOM 342 CB GLN A 27 -0.272 -5.035 -2.383 1.00 0.00 C ATOM 343 CG GLN A 27 1.060 -4.823 -3.121 1.00 0.00 C ATOM 344 CD GLN A 27 2.012 -6.025 -3.111 1.00 0.00 C ATOM 345 OE1 GLN A 27 2.739 -6.250 -2.144 1.00 0.00 O ATOM 346 NE2 GLN A 27 2.059 -6.816 -4.175 1.00 0.00 N ATOM 0 H GLN A 27 -3.061 -5.464 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.951 -6.146 -4.044 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.829 -4.098 -2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.061 -5.273 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.845 -4.559 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.572 -3.971 -2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.456 -6.629 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.698 -7.611 -4.192 1.00 0.00 H new ATOM 355 N ASP A 28 -1.680 -8.519 -2.894 1.00 0.00 N ATOM 356 CA ASP A 28 -1.632 -9.949 -2.578 1.00 0.00 C ATOM 357 C ASP A 28 -1.806 -10.316 -1.100 1.00 0.00 C ATOM 358 O ASP A 28 -1.876 -11.494 -0.768 1.00 0.00 O ATOM 359 CB ASP A 28 -0.372 -10.592 -3.173 1.00 0.00 C ATOM 360 CG ASP A 28 -0.527 -12.108 -3.265 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.509 -12.566 -3.900 1.00 0.00 O ATOM 362 OD2 ASP A 28 0.342 -12.832 -2.731 1.00 0.00 O ATOM 0 H ASP A 28 -2.464 -8.297 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.520 -10.367 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.182 -10.181 -4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.492 -10.347 -2.556 1.00 0.00 H new ATOM 367 N SER A 29 -1.853 -9.350 -0.189 1.00 0.00 N ATOM 368 CA SER A 29 -2.040 -9.602 1.227 1.00 0.00 C ATOM 369 C SER A 29 -3.551 -9.609 1.484 1.00 0.00 C ATOM 370 O SER A 29 -4.312 -8.916 0.796 1.00 0.00 O ATOM 371 CB SER A 29 -1.281 -8.530 2.005 1.00 0.00 C ATOM 372 OG SER A 29 -1.630 -8.552 3.368 1.00 0.00 O ATOM 0 H SER A 29 -1.761 -8.361 -0.420 1.00 0.00 H new ATOM 0 HA SER A 29 -1.644 -10.562 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.208 -8.690 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.500 -7.548 1.586 1.00 0.00 H new ATOM 0 HG SER A 29 -2.161 -7.757 3.583 1.00 0.00 H new ATOM 378 N GLN A 30 -3.988 -10.390 2.476 1.00 0.00 N ATOM 379 CA GLN A 30 -5.390 -10.524 2.832 1.00 0.00 C ATOM 380 C GLN A 30 -5.664 -10.000 4.243 1.00 0.00 C ATOM 381 O GLN A 30 -4.928 -10.302 5.192 1.00 0.00 O ATOM 382 CB GLN A 30 -5.842 -11.994 2.693 1.00 0.00 C ATOM 383 CG GLN A 30 -6.291 -12.420 1.281 1.00 0.00 C ATOM 384 CD GLN A 30 -5.201 -12.420 0.209 1.00 0.00 C ATOM 385 OE1 GLN A 30 -5.263 -11.641 -0.737 1.00 0.00 O ATOM 386 NE2 GLN A 30 -4.229 -13.315 0.288 1.00 0.00 N ATOM 0 H GLN A 30 -3.365 -10.951 3.057 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.971 -9.915 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.021 -12.639 3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.665 -12.170 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.715 -13.422 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.092 -11.755 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.190 -13.956 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.519 -13.363 -0.443 1.00 0.00 H new ATOM 395 N TRP A 31 -6.761 -9.248 4.397 1.00 0.00 N ATOM 396 CA TRP A 31 -7.214 -8.684 5.668 1.00 0.00 C ATOM 397 C TRP A 31 -8.694 -9.020 5.843 1.00 0.00 C ATOM 398 O TRP A 31 -9.475 -9.000 4.890 1.00 0.00 O ATOM 399 CB TRP A 31 -7.002 -7.166 5.776 1.00 0.00 C ATOM 400 CG TRP A 31 -5.584 -6.681 5.882 1.00 0.00 C ATOM 401 CD1 TRP A 31 -4.935 -6.281 7.005 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.640 -6.461 4.801 1.00 0.00 C ATOM 403 NE1 TRP A 31 -3.658 -5.855 6.691 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.443 -5.901 5.335 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.687 -6.682 3.416 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.357 -5.540 4.528 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.627 -6.277 2.595 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.474 -5.687 3.138 1.00 0.00 C ATOM 0 H TRP A 31 -7.373 -9.010 3.617 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.611 -9.127 6.460 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.456 -6.698 4.903 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.548 -6.809 6.649 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.355 -6.294 8.000 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.967 -5.547 7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.547 -7.168 2.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.448 -5.156 4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.697 -6.421 1.527 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.681 -5.348 2.488 1.00 0.00 H new ATOM 419 N HIS A 32 -9.073 -9.392 7.064 1.00 0.00 N ATOM 420 CA HIS A 32 -10.450 -9.737 7.409 1.00 0.00 C ATOM 421 C HIS A 32 -11.271 -8.447 7.398 1.00 0.00 C ATOM 422 O HIS A 32 -10.718 -7.399 7.739 1.00 0.00 O ATOM 423 CB HIS A 32 -10.506 -10.336 8.815 1.00 0.00 C ATOM 424 CG HIS A 32 -9.855 -11.690 9.039 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.066 -12.017 10.161 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.076 -12.813 8.290 1.00 0.00 C ATOM 427 CE1 HIS A 32 -8.986 -13.365 10.109 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.552 -13.868 9.002 1.00 0.00 N ATOM 0 H HIS A 32 -8.426 -9.463 7.849 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.839 -10.463 6.696 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.043 -9.625 9.500 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.554 -10.418 9.102 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.566 -12.862 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.519 -13.969 10.873 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.588 -14.852 8.736 1.00 0.00 H new ATOM 436 N SER A 33 -12.577 -8.521 7.126 1.00 0.00 N ATOM 437 CA SER A 33 -13.485 -7.378 7.086 1.00 0.00 C ATOM 438 C SER A 33 -13.279 -6.403 8.256 1.00 0.00 C ATOM 439 O SER A 33 -12.878 -5.262 8.052 1.00 0.00 O ATOM 440 CB SER A 33 -14.941 -7.869 6.992 1.00 0.00 C ATOM 441 OG SER A 33 -15.163 -9.126 7.625 1.00 0.00 O ATOM 0 H SER A 33 -13.042 -9.405 6.922 1.00 0.00 H new ATOM 0 HA SER A 33 -13.251 -6.803 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.596 -7.124 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.222 -7.946 5.942 1.00 0.00 H new ATOM 0 HG SER A 33 -15.805 -9.015 8.357 1.00 0.00 H new ATOM 447 N GLU A 34 -13.498 -6.876 9.483 1.00 0.00 N ATOM 448 CA GLU A 34 -13.396 -6.133 10.745 1.00 0.00 C ATOM 449 C GLU A 34 -12.002 -5.580 11.034 1.00 0.00 C ATOM 450 O GLU A 34 -11.828 -4.649 11.821 1.00 0.00 O ATOM 451 CB GLU A 34 -13.703 -7.082 11.925 1.00 0.00 C ATOM 452 CG GLU A 34 -15.055 -7.805 11.879 1.00 0.00 C ATOM 453 CD GLU A 34 -15.143 -8.865 10.781 1.00 0.00 C ATOM 454 OE1 GLU A 34 -14.147 -9.577 10.526 1.00 0.00 O ATOM 455 OE2 GLU A 34 -16.164 -8.909 10.057 1.00 0.00 O ATOM 0 H GLU A 34 -13.768 -7.848 9.635 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.099 -5.306 10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.915 -7.833 11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.654 -6.506 12.849 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.239 -8.277 12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.846 -7.070 11.728 1.00 0.00 H new ATOM 462 N CYS A 35 -11.002 -6.192 10.414 1.00 0.00 N ATOM 463 CA CYS A 35 -9.596 -5.879 10.591 1.00 0.00 C ATOM 464 C CYS A 35 -9.098 -4.823 9.606 1.00 0.00 C ATOM 465 O CYS A 35 -8.202 -4.069 9.975 1.00 0.00 O ATOM 466 CB CYS A 35 -8.836 -7.217 10.662 1.00 0.00 C ATOM 467 SG CYS A 35 -9.732 -8.216 11.871 1.00 0.00 S ATOM 0 H CYS A 35 -11.157 -6.949 9.749 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.401 -5.366 11.533 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.812 -7.707 9.689 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.801 -7.065 10.968 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.153 -9.374 11.992 1.00 0.00 H new ATOM 472 N PHE A 36 -9.669 -4.692 8.413 1.00 0.00 N ATOM 473 CA PHE A 36 -9.259 -3.682 7.436 1.00 0.00 C ATOM 474 C PHE A 36 -9.727 -2.297 7.930 1.00 0.00 C ATOM 475 O PHE A 36 -10.913 -1.958 7.831 1.00 0.00 O ATOM 476 CB PHE A 36 -9.883 -4.079 6.100 1.00 0.00 C ATOM 477 CG PHE A 36 -9.426 -3.318 4.873 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.080 -3.362 4.457 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.375 -2.645 4.083 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.704 -2.779 3.233 1.00 0.00 C ATOM 481 CE2 PHE A 36 -10.009 -2.101 2.845 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.679 -2.196 2.402 1.00 0.00 C ATOM 0 H PHE A 36 -10.434 -5.286 8.092 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.177 -3.625 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.684 -5.138 5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.964 -3.967 6.185 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.338 -3.843 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.392 -2.547 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.667 -2.779 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.749 -1.609 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.405 -1.823 1.426 1.00 0.00 H new ATOM 492 N ASN A 37 -8.815 -1.502 8.496 1.00 0.00 N ATOM 493 CA ASN A 37 -9.103 -0.179 9.044 1.00 0.00 C ATOM 494 C ASN A 37 -8.002 0.852 8.734 1.00 0.00 C ATOM 495 O ASN A 37 -6.875 0.469 8.432 1.00 0.00 O ATOM 496 CB ASN A 37 -9.222 -0.272 10.580 1.00 0.00 C ATOM 497 CG ASN A 37 -10.352 -1.122 11.152 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.330 -0.606 11.684 1.00 0.00 O ATOM 499 ND2 ASN A 37 -10.202 -2.427 11.181 1.00 0.00 N ATOM 0 H ASN A 37 -7.835 -1.769 8.587 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.032 0.151 8.578 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.280 -0.661 10.967 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.333 0.740 10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.898 -3.010 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.389 -2.857 10.739 1.00 0.00 H new ATOM 506 N CYS A 38 -8.292 2.163 8.892 1.00 0.00 N ATOM 507 CA CYS A 38 -7.328 3.258 8.655 1.00 0.00 C ATOM 508 C CYS A 38 -6.128 3.056 9.581 1.00 0.00 C ATOM 509 O CYS A 38 -6.325 3.252 10.777 1.00 0.00 O ATOM 510 CB CYS A 38 -7.914 4.672 8.976 1.00 0.00 C ATOM 511 SG CYS A 38 -6.813 6.004 8.439 1.00 0.00 S ATOM 0 H CYS A 38 -9.210 2.492 9.190 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.064 3.224 7.598 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.881 4.783 8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.088 4.757 10.049 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.349 7.153 8.728 1.00 0.00 H new ATOM 516 N GLY A 39 -4.910 2.829 9.084 1.00 0.00 N ATOM 517 CA GLY A 39 -3.744 2.633 9.957 1.00 0.00 C ATOM 518 C GLY A 39 -3.536 3.755 10.991 1.00 0.00 C ATOM 519 O GLY A 39 -3.045 3.523 12.091 1.00 0.00 O ATOM 0 H GLY A 39 -4.703 2.776 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.853 1.685 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.850 2.553 9.339 1.00 0.00 H new ATOM 523 N LYS A 40 -3.970 4.980 10.680 1.00 0.00 N ATOM 524 CA LYS A 40 -3.833 6.142 11.562 1.00 0.00 C ATOM 525 C LYS A 40 -4.930 6.307 12.606 1.00 0.00 C ATOM 526 O LYS A 40 -4.759 7.103 13.529 1.00 0.00 O ATOM 527 CB LYS A 40 -3.844 7.420 10.710 1.00 0.00 C ATOM 528 CG LYS A 40 -2.466 7.708 10.119 1.00 0.00 C ATOM 529 CD LYS A 40 -2.397 9.128 9.538 1.00 0.00 C ATOM 530 CE LYS A 40 -0.981 9.522 9.092 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.048 9.711 10.224 1.00 0.00 N ATOM 0 H LYS A 40 -4.432 5.195 9.797 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.899 5.974 12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.572 7.316 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.163 8.264 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.705 7.590 10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.243 6.981 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.074 9.200 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.748 9.839 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.588 8.751 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.032 10.444 8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.871 10.041 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.437 10.417 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.080 8.808 10.723 1.00 0.00 H new ATOM 545 N CYS A 41 -6.090 5.669 12.435 1.00 0.00 N ATOM 546 CA CYS A 41 -7.191 5.831 13.376 1.00 0.00 C ATOM 547 C CYS A 41 -8.019 4.597 13.737 1.00 0.00 C ATOM 548 O CYS A 41 -8.815 4.690 14.663 1.00 0.00 O ATOM 549 CB CYS A 41 -8.146 6.844 12.746 1.00 0.00 C ATOM 550 SG CYS A 41 -9.430 6.106 11.709 1.00 0.00 S ATOM 0 H CYS A 41 -6.287 5.040 11.657 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.721 6.123 14.315 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.622 7.420 13.540 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.568 7.546 12.145 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.188 7.044 11.224 1.00 0.00 H new ATOM 555 N SER A 42 -7.904 3.500 13.001 1.00 0.00 N ATOM 556 CA SER A 42 -8.647 2.269 13.230 1.00 0.00 C ATOM 557 C SER A 42 -10.179 2.419 13.087 1.00 0.00 C ATOM 558 O SER A 42 -10.944 2.223 14.027 1.00 0.00 O ATOM 559 CB SER A 42 -8.141 1.466 14.443 1.00 0.00 C ATOM 560 OG SER A 42 -8.338 2.041 15.724 1.00 0.00 O ATOM 0 H SER A 42 -7.271 3.441 12.203 1.00 0.00 H new ATOM 0 HA SER A 42 -8.410 1.613 12.392 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.628 0.491 14.431 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.073 1.290 14.311 1.00 0.00 H new ATOM 0 HG SER A 42 -8.605 2.979 15.624 1.00 0.00 H new ATOM 566 N VAL A 43 -10.623 2.827 11.891 1.00 0.00 N ATOM 567 CA VAL A 43 -12.022 2.991 11.476 1.00 0.00 C ATOM 568 C VAL A 43 -12.175 1.991 10.337 1.00 0.00 C ATOM 569 O VAL A 43 -11.268 1.924 9.496 1.00 0.00 O ATOM 570 CB VAL A 43 -12.361 4.430 11.047 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.651 4.837 9.747 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.862 4.665 10.851 1.00 0.00 C ATOM 0 H VAL A 43 -9.974 3.066 11.141 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.718 2.808 12.295 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.007 5.045 11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.924 5.860 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.572 4.773 9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.953 4.167 8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.032 5.699 10.549 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.237 3.995 10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.386 4.469 11.786 1.00 0.00 H new ATOM 582 N SER A 44 -13.280 1.253 10.300 1.00 0.00 N ATOM 583 CA SER A 44 -13.530 0.249 9.277 1.00 0.00 C ATOM 584 C SER A 44 -13.507 0.854 7.879 1.00 0.00 C ATOM 585 O SER A 44 -14.235 1.813 7.602 1.00 0.00 O ATOM 586 CB SER A 44 -14.869 -0.434 9.559 1.00 0.00 C ATOM 587 OG SER A 44 -15.283 -1.203 8.453 1.00 0.00 O ATOM 0 H SER A 44 -14.031 1.337 10.985 1.00 0.00 H new ATOM 0 HA SER A 44 -12.732 -0.493 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.778 -1.073 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.624 0.318 9.788 1.00 0.00 H new ATOM 0 HG SER A 44 -16.140 -1.632 8.656 1.00 0.00 H new ATOM 593 N LEU A 45 -12.678 0.292 6.997 1.00 0.00 N ATOM 594 CA LEU A 45 -12.535 0.697 5.597 1.00 0.00 C ATOM 595 C LEU A 45 -13.295 -0.295 4.707 1.00 0.00 C ATOM 596 O LEU A 45 -13.102 -0.304 3.495 1.00 0.00 O ATOM 597 CB LEU A 45 -11.054 0.849 5.203 1.00 0.00 C ATOM 598 CG LEU A 45 -10.318 1.985 5.941 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.875 2.098 5.446 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.975 3.363 5.782 1.00 0.00 C ATOM 0 H LEU A 45 -12.066 -0.485 7.247 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.976 1.683 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.539 -0.091 5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.992 1.028 4.130 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.362 1.712 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.370 2.905 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.353 1.159 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.873 2.311 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.397 4.107 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.004 3.632 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.991 3.330 6.176 1.00 0.00 H new ATOM 612 N VAL A 46 -14.167 -1.121 5.301 1.00 0.00 N ATOM 613 CA VAL A 46 -14.980 -2.096 4.594 1.00 0.00 C ATOM 614 C VAL A 46 -15.827 -1.331 3.575 1.00 0.00 C ATOM 615 O VAL A 46 -16.489 -0.356 3.938 1.00 0.00 O ATOM 616 CB VAL A 46 -15.818 -2.912 5.606 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.769 -3.917 4.943 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.935 -3.740 6.551 1.00 0.00 C ATOM 0 H VAL A 46 -14.324 -1.123 6.309 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.373 -2.825 4.056 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.385 -2.152 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.325 -4.454 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.466 -3.385 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -16.192 -4.627 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.566 -4.297 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.333 -4.437 5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.279 -3.075 7.112 1.00 0.00 H new ATOM 628 N GLY A 47 -15.778 -1.735 2.305 1.00 0.00 N ATOM 629 CA GLY A 47 -16.520 -1.156 1.191 1.00 0.00 C ATOM 630 C GLY A 47 -16.035 0.205 0.700 1.00 0.00 C ATOM 631 O GLY A 47 -15.867 0.389 -0.507 1.00 0.00 O ATOM 0 H GLY A 47 -15.189 -2.515 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.486 -1.855 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.565 -1.062 1.486 1.00 0.00 H new ATOM 635 N LYS A 48 -15.843 1.160 1.607 1.00 0.00 N ATOM 636 CA LYS A 48 -15.397 2.512 1.284 1.00 0.00 C ATOM 637 C LYS A 48 -14.002 2.528 0.670 1.00 0.00 C ATOM 638 O LYS A 48 -13.181 1.645 0.926 1.00 0.00 O ATOM 639 CB LYS A 48 -15.482 3.413 2.524 1.00 0.00 C ATOM 640 CG LYS A 48 -14.598 2.975 3.695 1.00 0.00 C ATOM 641 CD LYS A 48 -15.014 3.680 4.994 1.00 0.00 C ATOM 642 CE LYS A 48 -16.393 3.250 5.532 1.00 0.00 C ATOM 643 NZ LYS A 48 -16.511 1.788 5.726 1.00 0.00 N ATOM 0 H LYS A 48 -15.996 1.013 2.605 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.069 2.911 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.206 4.428 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.518 3.447 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.669 1.895 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.555 3.201 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.261 3.484 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.022 4.757 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.579 3.752 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.166 3.582 4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.420 1.571 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.465 1.310 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.732 1.454 6.328 1.00 0.00 H new ATOM 657 N GLY A 49 -13.737 3.567 -0.118 1.00 0.00 N ATOM 658 CA GLY A 49 -12.463 3.759 -0.780 1.00 0.00 C ATOM 659 C GLY A 49 -11.389 4.132 0.233 1.00 0.00 C ATOM 660 O GLY A 49 -11.677 4.574 1.353 1.00 0.00 O ATOM 0 H GLY A 49 -14.414 4.305 -0.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.177 2.847 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.551 4.544 -1.532 1.00 0.00 H new ATOM 664 N PHE A 50 -10.135 3.966 -0.165 1.00 0.00 N ATOM 665 CA PHE A 50 -8.961 4.255 0.641 1.00 0.00 C ATOM 666 C PHE A 50 -7.828 4.748 -0.255 1.00 0.00 C ATOM 667 O PHE A 50 -7.870 4.589 -1.479 1.00 0.00 O ATOM 668 CB PHE A 50 -8.568 2.992 1.419 1.00 0.00 C ATOM 669 CG PHE A 50 -8.258 1.797 0.543 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.288 0.916 0.161 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.938 1.572 0.108 1.00 0.00 C ATOM 672 CE1 PHE A 50 -9.001 -0.175 -0.675 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.653 0.464 -0.707 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.684 -0.405 -1.105 1.00 0.00 C ATOM 0 H PHE A 50 -9.901 3.613 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.177 5.046 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.696 3.214 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.379 2.730 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.297 1.079 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.148 2.248 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.794 -0.838 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.639 0.279 -1.029 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.463 -1.249 -1.741 1.00 0.00 H new ATOM 684 N LEU A 51 -6.830 5.368 0.370 1.00 0.00 N ATOM 685 CA LEU A 51 -5.629 5.926 -0.244 1.00 0.00 C ATOM 686 C LEU A 51 -4.458 5.085 0.249 1.00 0.00 C ATOM 687 O LEU A 51 -4.511 4.579 1.374 1.00 0.00 O ATOM 688 CB LEU A 51 -5.432 7.388 0.192 1.00 0.00 C ATOM 689 CG LEU A 51 -6.188 8.437 -0.648 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.703 8.209 -0.676 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.924 9.833 -0.075 1.00 0.00 C ATOM 0 H LEU A 51 -6.840 5.502 1.381 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.707 5.909 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.746 7.485 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.367 7.619 0.158 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.818 8.344 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.176 8.981 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.916 7.229 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.097 8.255 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.458 10.576 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.271 9.874 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.855 10.043 -0.107 1.00 0.00 H new ATOM 703 N THR A 52 -3.383 4.999 -0.531 1.00 0.00 N ATOM 704 CA THR A 52 -2.208 4.216 -0.170 1.00 0.00 C ATOM 705 C THR A 52 -0.964 5.079 -0.332 1.00 0.00 C ATOM 706 O THR A 52 -0.779 5.725 -1.373 1.00 0.00 O ATOM 707 CB THR A 52 -2.169 2.925 -1.001 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.148 3.206 -2.384 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.415 2.084 -0.735 1.00 0.00 C ATOM 0 H THR A 52 -3.304 5.471 -1.432 1.00 0.00 H new ATOM 0 HA THR A 52 -2.250 3.909 0.875 1.00 0.00 H new ATOM 0 HB THR A 52 -1.264 2.390 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.122 2.366 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.373 1.172 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.460 1.824 0.323 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.304 2.654 -1.006 1.00 0.00 H new ATOM 717 N GLN A 53 -0.185 5.230 0.739 1.00 0.00 N ATOM 718 CA GLN A 53 1.041 6.016 0.739 1.00 0.00 C ATOM 719 C GLN A 53 2.070 5.341 1.644 1.00 0.00 C ATOM 720 O GLN A 53 1.671 4.688 2.601 1.00 0.00 O ATOM 721 CB GLN A 53 0.687 7.458 1.153 1.00 0.00 C ATOM 722 CG GLN A 53 1.537 8.520 0.452 1.00 0.00 C ATOM 723 CD GLN A 53 1.497 8.400 -1.069 1.00 0.00 C ATOM 724 OE1 GLN A 53 2.449 7.901 -1.664 1.00 0.00 O ATOM 725 NE2 GLN A 53 0.419 8.813 -1.717 1.00 0.00 N ATOM 0 H GLN A 53 -0.394 4.803 1.641 1.00 0.00 H new ATOM 0 HA GLN A 53 1.498 6.069 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.365 7.643 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.810 7.559 2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.186 9.510 0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.569 8.435 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.359 9.224 -1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.367 8.720 -2.731 1.00 0.00 H new ATOM 734 N ASN A 54 3.376 5.547 1.435 1.00 0.00 N ATOM 735 CA ASN A 54 4.446 4.935 2.248 1.00 0.00 C ATOM 736 C ASN A 54 4.146 3.453 2.562 1.00 0.00 C ATOM 737 O ASN A 54 4.321 2.997 3.691 1.00 0.00 O ATOM 738 CB ASN A 54 4.718 5.744 3.535 1.00 0.00 C ATOM 739 CG ASN A 54 5.217 7.156 3.283 1.00 0.00 C ATOM 740 OD1 ASN A 54 6.410 7.441 3.379 1.00 0.00 O ATOM 741 ND2 ASN A 54 4.328 8.077 2.961 1.00 0.00 N ATOM 0 H ASN A 54 3.728 6.149 0.690 1.00 0.00 H new ATOM 0 HA ASN A 54 5.358 4.961 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.801 5.793 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.454 5.212 4.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.627 9.037 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.342 7.829 2.884 1.00 0.00 H new ATOM 748 N LYS A 55 3.656 2.709 1.563 1.00 0.00 N ATOM 749 CA LYS A 55 3.292 1.282 1.628 1.00 0.00 C ATOM 750 C LYS A 55 2.153 0.948 2.617 1.00 0.00 C ATOM 751 O LYS A 55 1.891 -0.238 2.823 1.00 0.00 O ATOM 752 CB LYS A 55 4.529 0.402 1.932 1.00 0.00 C ATOM 753 CG LYS A 55 5.788 0.676 1.099 1.00 0.00 C ATOM 754 CD LYS A 55 5.690 0.222 -0.360 1.00 0.00 C ATOM 755 CE LYS A 55 7.073 0.415 -0.985 1.00 0.00 C ATOM 756 NZ LYS A 55 7.189 -0.200 -2.319 1.00 0.00 N ATOM 0 H LYS A 55 3.493 3.104 0.637 1.00 0.00 H new ATOM 0 HA LYS A 55 2.905 1.052 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.784 0.524 2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.248 -0.642 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.998 1.745 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.635 0.175 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.383 -0.822 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.941 0.805 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.286 1.481 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.827 -0.014 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.146 -0.038 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.014 -1.223 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.489 0.226 -2.960 1.00 0.00 H new ATOM 770 N GLU A 56 1.490 1.935 3.220 1.00 0.00 N ATOM 771 CA GLU A 56 0.396 1.798 4.182 1.00 0.00 C ATOM 772 C GLU A 56 -0.951 2.166 3.543 1.00 0.00 C ATOM 773 O GLU A 56 -1.007 2.639 2.404 1.00 0.00 O ATOM 774 CB GLU A 56 0.708 2.648 5.429 1.00 0.00 C ATOM 775 CG GLU A 56 1.549 1.828 6.416 1.00 0.00 C ATOM 776 CD GLU A 56 2.089 2.658 7.579 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.303 3.241 8.366 1.00 0.00 O ATOM 778 OE2 GLU A 56 3.331 2.701 7.737 1.00 0.00 O ATOM 0 H GLU A 56 1.717 2.913 3.038 1.00 0.00 H new ATOM 0 HA GLU A 56 0.310 0.757 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.246 3.551 5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.219 2.968 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.943 1.013 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.384 1.375 5.883 1.00 0.00 H new ATOM 785 N ILE A 57 -2.040 1.941 4.288 1.00 0.00 N ATOM 786 CA ILE A 57 -3.426 2.179 3.897 1.00 0.00 C ATOM 787 C ILE A 57 -4.070 3.247 4.797 1.00 0.00 C ATOM 788 O ILE A 57 -3.960 3.209 6.029 1.00 0.00 O ATOM 789 CB ILE A 57 -4.189 0.831 3.892 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.205 0.117 5.269 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.605 -0.103 2.812 1.00 0.00 C ATOM 792 CD1 ILE A 57 -5.030 -1.174 5.302 1.00 0.00 C ATOM 0 H ILE A 57 -1.968 1.566 5.234 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.472 2.582 2.885 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.228 1.067 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.179 -0.114 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.599 0.805 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.148 -1.048 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.702 0.367 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.552 -0.289 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.987 -1.608 6.301 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.066 -0.950 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.624 -1.883 4.581 1.00 0.00 H new ATOM 804 N PHE A 58 -4.798 4.201 4.203 1.00 0.00 N ATOM 805 CA PHE A 58 -5.435 5.291 4.939 1.00 0.00 C ATOM 806 C PHE A 58 -6.832 5.624 4.431 1.00 0.00 C ATOM 807 O PHE A 58 -7.194 5.367 3.286 1.00 0.00 O ATOM 808 CB PHE A 58 -4.580 6.560 4.794 1.00 0.00 C ATOM 809 CG PHE A 58 -3.112 6.374 5.105 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.620 6.509 6.415 1.00 0.00 C ATOM 811 CD2 PHE A 58 -2.235 6.028 4.069 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.253 6.332 6.679 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.875 5.854 4.338 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.376 6.006 5.637 1.00 0.00 C ATOM 0 H PHE A 58 -4.960 4.235 3.197 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.518 4.959 5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.677 6.932 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.982 7.329 5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.297 6.750 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.609 5.896 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.878 6.447 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.201 5.599 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.677 5.873 5.834 1.00 0.00 H new ATOM 824 N CYS A 59 -7.644 6.205 5.322 1.00 0.00 N ATOM 825 CA CYS A 59 -8.992 6.621 4.949 1.00 0.00 C ATOM 826 C CYS A 59 -8.772 7.910 4.131 1.00 0.00 C ATOM 827 O CYS A 59 -7.781 8.610 4.382 1.00 0.00 O ATOM 828 CB CYS A 59 -9.896 6.949 6.166 1.00 0.00 C ATOM 829 SG CYS A 59 -9.929 8.661 6.702 1.00 0.00 S ATOM 0 H CYS A 59 -7.392 6.394 6.292 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.500 5.820 4.413 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.915 6.648 5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.573 6.335 7.006 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.726 8.781 7.722 1.00 0.00 H new ATOM 834 N GLN A 60 -9.722 8.290 3.276 1.00 0.00 N ATOM 835 CA GLN A 60 -9.652 9.498 2.449 1.00 0.00 C ATOM 836 C GLN A 60 -9.346 10.721 3.324 1.00 0.00 C ATOM 837 O GLN A 60 -8.324 11.366 3.113 1.00 0.00 O ATOM 838 CB GLN A 60 -10.963 9.654 1.668 1.00 0.00 C ATOM 839 CG GLN A 60 -11.167 8.590 0.577 1.00 0.00 C ATOM 840 CD GLN A 60 -12.658 8.359 0.357 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.309 7.666 1.145 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.235 8.939 -0.674 1.00 0.00 N ATOM 0 H GLN A 60 -10.580 7.757 3.135 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.840 9.412 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.798 9.609 2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.985 10.642 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.698 8.914 -0.352 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.684 7.658 0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.682 9.508 -1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.236 8.820 -0.832 1.00 0.00 H new ATOM 851 N LYS A 61 -10.136 10.985 4.378 1.00 0.00 N ATOM 852 CA LYS A 61 -9.917 12.124 5.283 1.00 0.00 C ATOM 853 C LYS A 61 -8.475 12.140 5.821 1.00 0.00 C ATOM 854 O LYS A 61 -7.863 13.199 5.856 1.00 0.00 O ATOM 855 CB LYS A 61 -11.000 12.137 6.384 1.00 0.00 C ATOM 856 CG LYS A 61 -10.970 13.360 7.319 1.00 0.00 C ATOM 857 CD LYS A 61 -11.533 14.645 6.698 1.00 0.00 C ATOM 858 CE LYS A 61 -11.189 15.863 7.560 1.00 0.00 C ATOM 859 NZ LYS A 61 -11.949 15.963 8.824 1.00 0.00 N ATOM 0 H LYS A 61 -10.944 10.414 4.626 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.024 13.057 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.979 12.087 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.893 11.236 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.537 13.127 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.941 13.541 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.127 14.778 5.695 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.615 14.561 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.125 15.836 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.364 16.766 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.652 16.815 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.966 16.023 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.765 15.122 9.407 1.00 0.00 H new ATOM 873 N CYS A 62 -7.933 11.004 6.285 1.00 0.00 N ATOM 874 CA CYS A 62 -6.557 10.923 6.784 1.00 0.00 C ATOM 875 C CYS A 62 -5.531 11.281 5.690 1.00 0.00 C ATOM 876 O CYS A 62 -4.599 12.034 5.969 1.00 0.00 O ATOM 877 CB CYS A 62 -6.229 9.657 7.631 1.00 0.00 C ATOM 878 SG CYS A 62 -6.408 9.802 9.425 1.00 0.00 S ATOM 0 H CYS A 62 -8.437 10.118 6.324 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.464 11.705 7.538 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.872 8.845 7.291 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.202 9.362 7.416 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.310 8.625 9.967 1.00 0.00 H new ATOM 883 N GLY A 63 -5.710 10.831 4.446 1.00 0.00 N ATOM 884 CA GLY A 63 -4.776 11.152 3.363 1.00 0.00 C ATOM 885 C GLY A 63 -5.044 12.517 2.704 1.00 0.00 C ATOM 886 O GLY A 63 -4.282 12.926 1.831 1.00 0.00 O ATOM 0 H GLY A 63 -6.494 10.243 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.759 11.141 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.833 10.373 2.603 1.00 0.00 H new ATOM 890 N SER A 64 -6.111 13.216 3.103 1.00 0.00 N ATOM 891 CA SER A 64 -6.534 14.513 2.591 1.00 0.00 C ATOM 892 C SER A 64 -5.565 15.611 3.039 1.00 0.00 C ATOM 893 O SER A 64 -5.766 16.216 4.098 1.00 0.00 O ATOM 894 CB SER A 64 -7.970 14.768 3.076 1.00 0.00 C ATOM 895 OG SER A 64 -8.602 15.892 2.486 1.00 0.00 O ATOM 0 H SER A 64 -6.734 12.869 3.832 1.00 0.00 H new ATOM 0 HA SER A 64 -6.521 14.521 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.571 13.882 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.956 14.902 4.158 1.00 0.00 H new ATOM 0 HG SER A 64 -9.509 15.983 2.846 1.00 0.00 H new ATOM 901 N GLY A 65 -4.561 15.901 2.215 1.00 0.00 N ATOM 902 CA GLY A 65 -3.549 16.910 2.464 1.00 0.00 C ATOM 903 C GLY A 65 -2.221 16.455 1.877 1.00 0.00 C ATOM 904 O GLY A 65 -2.182 15.601 0.985 1.00 0.00 O ATOM 0 H GLY A 65 -4.430 15.420 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.849 17.859 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.446 17.079 3.536 1.00 0.00 H new ATOM 908 N MET A 66 -1.136 17.079 2.322 1.00 0.00 N ATOM 909 CA MET A 66 0.220 16.761 1.913 1.00 0.00 C ATOM 910 C MET A 66 1.140 17.115 3.072 1.00 0.00 C ATOM 911 O MET A 66 0.869 18.056 3.823 1.00 0.00 O ATOM 912 CB MET A 66 0.645 17.480 0.618 1.00 0.00 C ATOM 913 CG MET A 66 0.863 18.990 0.776 1.00 0.00 C ATOM 914 SD MET A 66 1.624 19.769 -0.663 1.00 0.00 S ATOM 915 CE MET A 66 1.655 21.470 -0.082 1.00 0.00 C ATOM 0 H MET A 66 -1.181 17.842 2.997 1.00 0.00 H new ATOM 0 HA MET A 66 0.282 15.698 1.678 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.567 17.028 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.117 17.313 -0.143 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.097 19.468 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.491 19.168 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.237 22.080 -0.773 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.637 21.855 -0.028 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.110 21.508 0.908 1.00 0.00 H new ATOM 925 N ASP A 67 2.248 16.399 3.191 1.00 0.00 N ATOM 926 CA ASP A 67 3.231 16.625 4.241 1.00 0.00 C ATOM 927 C ASP A 67 4.363 17.380 3.563 1.00 0.00 C ATOM 928 O ASP A 67 4.948 16.852 2.616 1.00 0.00 O ATOM 929 CB ASP A 67 3.640 15.301 4.890 1.00 0.00 C ATOM 930 CG ASP A 67 2.436 14.644 5.558 1.00 0.00 C ATOM 931 OD1 ASP A 67 1.785 15.266 6.424 1.00 0.00 O ATOM 932 OD2 ASP A 67 2.056 13.523 5.150 1.00 0.00 O ATOM 0 H ASP A 67 2.493 15.639 2.557 1.00 0.00 H new ATOM 0 HA ASP A 67 2.852 17.214 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.056 14.632 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.423 15.476 5.628 1.00 0.00 H new ATOM 937 N THR A 68 4.624 18.628 3.962 1.00 0.00 N ATOM 938 CA THR A 68 5.665 19.466 3.362 1.00 0.00 C ATOM 939 C THR A 68 6.659 19.992 4.401 1.00 0.00 C ATOM 940 O THR A 68 6.345 20.054 5.591 1.00 0.00 O ATOM 941 CB THR A 68 5.023 20.593 2.529 1.00 0.00 C ATOM 942 OG1 THR A 68 3.769 21.003 3.056 1.00 0.00 O ATOM 943 CG2 THR A 68 4.824 20.176 1.074 1.00 0.00 C ATOM 0 H THR A 68 4.115 19.088 4.716 1.00 0.00 H new ATOM 0 HA THR A 68 6.254 18.846 2.686 1.00 0.00 H new ATOM 0 HB THR A 68 5.720 21.429 2.578 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.474 21.819 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.369 20.997 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.789 19.929 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.172 19.304 1.031 1.00 0.00 H new ATOM 951 N ASP A 69 7.834 20.424 3.938 1.00 0.00 N ATOM 952 CA ASP A 69 8.973 20.948 4.704 1.00 0.00 C ATOM 953 C ASP A 69 9.285 22.414 4.350 1.00 0.00 C ATOM 954 O ASP A 69 10.434 22.860 4.398 1.00 0.00 O ATOM 955 CB ASP A 69 10.190 20.036 4.471 1.00 0.00 C ATOM 956 CG ASP A 69 10.805 20.185 3.075 1.00 0.00 C ATOM 957 OD1 ASP A 69 10.061 20.217 2.060 1.00 0.00 O ATOM 958 OD2 ASP A 69 12.050 20.227 2.975 1.00 0.00 O ATOM 0 H ASP A 69 8.032 20.417 2.937 1.00 0.00 H new ATOM 0 HA ASP A 69 8.717 20.945 5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.950 20.258 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.891 18.998 4.619 1.00 0.00 H new ATOM 963 N ILE A 70 8.259 23.148 3.919 1.00 0.00 N ATOM 964 CA ILE A 70 8.322 24.553 3.526 1.00 0.00 C ATOM 965 C ILE A 70 8.655 25.369 4.780 1.00 0.00 C ATOM 966 O ILE A 70 7.797 25.543 5.640 1.00 0.00 O ATOM 967 CB ILE A 70 6.983 24.973 2.871 1.00 0.00 C ATOM 968 CG1 ILE A 70 6.686 24.131 1.607 1.00 0.00 C ATOM 969 CG2 ILE A 70 6.979 26.472 2.506 1.00 0.00 C ATOM 970 CD1 ILE A 70 5.209 24.162 1.197 1.00 0.00 C ATOM 0 H ILE A 70 7.320 22.760 3.831 1.00 0.00 H new ATOM 0 HA ILE A 70 9.097 24.731 2.780 1.00 0.00 H new ATOM 0 HB ILE A 70 6.200 24.790 3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.294 24.500 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.985 23.098 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.025 26.733 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.123 27.067 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.786 26.677 1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.066 23.553 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.598 23.766 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.911 25.189 0.986 1.00 0.00 H new ATOM 982 N SER A 71 9.864 25.931 4.852 1.00 0.00 N ATOM 983 CA SER A 71 10.357 26.721 5.984 1.00 0.00 C ATOM 984 C SER A 71 9.586 28.017 6.297 1.00 0.00 C ATOM 985 O SER A 71 9.906 28.670 7.286 1.00 0.00 O ATOM 986 CB SER A 71 11.835 27.054 5.750 1.00 0.00 C ATOM 987 OG SER A 71 12.529 25.946 5.203 1.00 0.00 O ATOM 0 H SER A 71 10.549 25.846 4.101 1.00 0.00 H new ATOM 0 HA SER A 71 10.203 26.090 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.916 27.906 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.298 27.348 6.692 1.00 0.00 H new ATOM 0 HG SER A 71 13.469 26.186 5.062 1.00 0.00 H new ATOM 993 N GLY A 72 8.613 28.416 5.470 1.00 0.00 N ATOM 994 CA GLY A 72 7.824 29.624 5.685 1.00 0.00 C ATOM 995 C GLY A 72 8.448 30.832 4.983 1.00 0.00 C ATOM 996 O GLY A 72 9.351 31.454 5.539 1.00 0.00 O ATOM 0 H GLY A 72 8.353 27.903 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.811 29.469 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.745 29.823 6.754 1.00 0.00 H new ATOM 1000 N PRO A 73 8.041 31.163 3.744 1.00 0.00 N ATOM 1001 CA PRO A 73 8.593 32.315 3.045 1.00 0.00 C ATOM 1002 C PRO A 73 8.117 33.605 3.730 1.00 0.00 C ATOM 1003 O PRO A 73 7.024 33.647 4.295 1.00 0.00 O ATOM 1004 CB PRO A 73 8.073 32.206 1.610 1.00 0.00 C ATOM 1005 CG PRO A 73 6.741 31.473 1.774 1.00 0.00 C ATOM 1006 CD PRO A 73 6.997 30.530 2.952 1.00 0.00 C ATOM 0 HA PRO A 73 9.683 32.339 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.939 33.187 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.762 31.651 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.925 32.165 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.471 30.924 0.872 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.092 30.385 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.312 29.546 2.604 1.00 0.00 H new ATOM 1014 N SER A 74 8.926 34.664 3.658 1.00 0.00 N ATOM 1015 CA SER A 74 8.615 35.961 4.246 1.00 0.00 C ATOM 1016 C SER A 74 7.500 36.610 3.419 1.00 0.00 C ATOM 1017 O SER A 74 7.788 37.272 2.423 1.00 0.00 O ATOM 1018 CB SER A 74 9.898 36.806 4.285 1.00 0.00 C ATOM 1019 OG SER A 74 9.706 38.048 4.930 1.00 0.00 O ATOM 0 H SER A 74 9.828 34.640 3.182 1.00 0.00 H new ATOM 0 HA SER A 74 8.257 35.868 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.681 36.249 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.247 36.979 3.267 1.00 0.00 H new ATOM 0 HG SER A 74 10.548 38.549 4.932 1.00 0.00 H new ATOM 1025 N SER A 75 6.245 36.407 3.812 1.00 0.00 N ATOM 1026 CA SER A 75 5.053 36.934 3.171 1.00 0.00 C ATOM 1027 C SER A 75 3.972 37.083 4.245 1.00 0.00 C ATOM 1028 O SER A 75 4.213 36.911 5.442 1.00 0.00 O ATOM 1029 CB SER A 75 4.607 35.956 2.057 1.00 0.00 C ATOM 1030 OG SER A 75 3.663 36.503 1.143 1.00 0.00 O ATOM 0 H SER A 75 6.025 35.839 4.631 1.00 0.00 H new ATOM 0 HA SER A 75 5.241 37.905 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.487 35.630 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.175 35.068 2.520 1.00 0.00 H new ATOM 0 HG SER A 75 3.431 35.829 0.470 1.00 0.00 H new ATOM 1036 N GLY A 76 2.803 37.462 3.764 1.00 0.00 N ATOM 1037 CA GLY A 76 1.513 37.680 4.368 1.00 0.00 C ATOM 1038 C GLY A 76 0.528 37.277 3.264 1.00 0.00 C ATOM 1039 O GLY A 76 1.015 36.821 2.192 1.00 0.00 O ATOM 0 H GLY A 76 2.737 37.655 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.382 37.073 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.379 38.720 4.665 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -7.772 -10.511 11.705 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.948 8.110 9.460 1.00 0.00 ZN