USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 602 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 88 THR OG1 : rot 180:sc= 0.00179 USER MOD Set 1.2: A 92 SER OG : rot 173:sc= 0.00133 USER MOD Set 2.1: A 80 SER OG : rot 160:sc= 1.01 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 179:sc= 1.45 (180deg=0.228) USER MOD Set 3.1: A 12 THR OG1 : rot -160:sc=-0.00734 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0.00049 USER MOD Single : A 1 GLY N :NH3+ 172:sc= -0.0688 (180deg=-0.184) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0647 (180deg=-0.398) USER MOD Single : A 4 SER OG : rot 26:sc= 0.749 USER MOD Single : A 5 SER OG : rot 78:sc= 0.156 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 1.02 (180deg=1.01) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0503 F(o=-0.59,f=-0.05) USER MOD Single : A 18 THR OG1 : rot 48:sc= 0.0676 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-2.8!,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0.258 (180deg=0.128) USER MOD Single : A 35 GLN : amide:sc= -2.53! C(o=-2.5!,f=-5.5!) USER MOD Single : A 36 SER OG : rot 103:sc= 0.0599 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -136:sc= 1.42 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 0.0169 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.27 F(o=-3.2,f=-2.3) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -130:sc= -0.969 USER MOD Single : A 60 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.78) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.896 K(o=0.9,f=-6!) USER MOD Single : A 69 SER OG : rot 100:sc= 1.36 USER MOD Single : A 71 SER OG : rot -106:sc= -2.14! USER MOD Single : A 72 THR OG1 : rot -72:sc= -0.565 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.0211 (180deg=-0.157) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= -0.0323 (180deg=-0.261) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -119:sc= 0.728 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -126:sc= 1.3 (180deg=-0.127!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.405 4.754 -9.465 1.00 0.00 N ATOM 2 CA GLY A 1 9.349 3.881 -8.710 1.00 0.00 C ATOM 3 C GLY A 1 8.861 2.447 -8.618 1.00 0.00 C ATOM 4 O GLY A 1 9.275 1.694 -7.732 1.00 0.00 O ATOM 0 H1 GLY A 1 8.710 5.745 -9.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.397 4.473 -10.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.448 4.654 -9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.325 3.900 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.485 4.281 -7.705 1.00 0.00 H new ATOM 7 N SER A 2 7.986 2.070 -9.530 1.00 0.00 N ATOM 8 CA SER A 2 7.439 0.729 -9.552 1.00 0.00 C ATOM 9 C SER A 2 7.315 0.228 -10.989 1.00 0.00 C ATOM 10 O SER A 2 7.768 0.898 -11.923 1.00 0.00 O ATOM 11 CB SER A 2 6.081 0.712 -8.847 1.00 0.00 C ATOM 12 OG SER A 2 5.255 1.759 -9.322 1.00 0.00 O ATOM 0 H SER A 2 7.637 2.679 -10.270 1.00 0.00 H new ATOM 0 HA SER A 2 8.114 0.059 -9.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.592 -0.248 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.223 0.815 -7.771 1.00 0.00 H new ATOM 0 HG SER A 2 4.391 1.729 -8.860 1.00 0.00 H new ATOM 18 N MET A 3 6.709 -0.944 -11.163 1.00 0.00 N ATOM 19 CA MET A 3 6.530 -1.525 -12.490 1.00 0.00 C ATOM 20 C MET A 3 5.634 -0.651 -13.346 1.00 0.00 C ATOM 21 O MET A 3 5.989 -0.303 -14.470 1.00 0.00 O ATOM 22 CB MET A 3 5.932 -2.933 -12.391 1.00 0.00 C ATOM 23 CG MET A 3 5.663 -3.583 -13.740 1.00 0.00 C ATOM 24 SD MET A 3 4.802 -5.162 -13.597 1.00 0.00 S ATOM 25 CE MET A 3 6.010 -6.128 -12.691 1.00 0.00 C ATOM 0 H MET A 3 6.334 -1.510 -10.402 1.00 0.00 H new ATOM 0 HA MET A 3 7.512 -1.589 -12.958 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.612 -3.567 -11.822 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.999 -2.882 -11.830 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.069 -2.905 -14.353 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.609 -3.736 -14.259 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.752 -7.185 -12.754 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.999 -5.970 -13.121 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.015 -5.817 -11.646 1.00 0.00 H new ATOM 35 N SER A 4 4.475 -0.278 -12.790 1.00 0.00 N ATOM 36 CA SER A 4 3.477 0.536 -13.491 1.00 0.00 C ATOM 37 C SER A 4 3.179 -0.016 -14.888 1.00 0.00 C ATOM 38 O SER A 4 3.293 0.688 -15.891 1.00 0.00 O ATOM 39 CB SER A 4 3.895 2.025 -13.540 1.00 0.00 C ATOM 40 OG SER A 4 5.234 2.196 -13.996 1.00 0.00 O ATOM 0 H SER A 4 4.203 -0.533 -11.840 1.00 0.00 H new ATOM 0 HA SER A 4 2.550 0.479 -12.920 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.217 2.569 -14.198 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.793 2.462 -12.546 1.00 0.00 H new ATOM 0 HG SER A 4 5.486 1.437 -14.562 1.00 0.00 H new ATOM 46 N SER A 5 2.815 -1.286 -14.939 1.00 0.00 N ATOM 47 CA SER A 5 2.509 -1.950 -16.191 1.00 0.00 C ATOM 48 C SER A 5 1.538 -3.099 -15.960 1.00 0.00 C ATOM 49 O SER A 5 1.905 -4.135 -15.402 1.00 0.00 O ATOM 50 CB SER A 5 3.790 -2.471 -16.854 1.00 0.00 C ATOM 51 OG SER A 5 4.716 -1.419 -17.079 1.00 0.00 O ATOM 0 H SER A 5 2.724 -1.882 -14.116 1.00 0.00 H new ATOM 0 HA SER A 5 2.043 -1.223 -16.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.247 -3.232 -16.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.543 -2.951 -17.801 1.00 0.00 H new ATOM 0 HG SER A 5 5.172 -1.199 -16.240 1.00 0.00 H new ATOM 57 N VAL A 6 0.304 -2.906 -16.368 1.00 0.00 N ATOM 58 CA VAL A 6 -0.712 -3.923 -16.220 1.00 0.00 C ATOM 59 C VAL A 6 -0.790 -4.763 -17.483 1.00 0.00 C ATOM 60 O VAL A 6 -1.427 -4.369 -18.470 1.00 0.00 O ATOM 61 CB VAL A 6 -2.094 -3.305 -15.932 1.00 0.00 C ATOM 62 CG1 VAL A 6 -3.140 -4.391 -15.749 1.00 0.00 C ATOM 63 CG2 VAL A 6 -2.033 -2.403 -14.709 1.00 0.00 C ATOM 0 H VAL A 6 -0.022 -2.046 -16.809 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.434 -4.549 -15.372 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.383 -2.697 -16.790 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.108 -3.933 -15.547 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.205 -4.991 -16.657 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.859 -5.030 -14.912 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.018 -1.976 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.720 -2.985 -13.843 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.317 -1.600 -14.885 1.00 0.00 H new ATOM 73 N PHE A 7 -0.138 -5.909 -17.458 1.00 0.00 N ATOM 74 CA PHE A 7 -0.099 -6.791 -18.611 1.00 0.00 C ATOM 75 C PHE A 7 -1.384 -7.597 -18.731 1.00 0.00 C ATOM 76 O PHE A 7 -1.399 -8.813 -18.550 1.00 0.00 O ATOM 77 CB PHE A 7 1.124 -7.710 -18.555 1.00 0.00 C ATOM 78 CG PHE A 7 2.427 -6.964 -18.563 1.00 0.00 C ATOM 79 CD1 PHE A 7 3.170 -6.822 -17.402 1.00 0.00 C ATOM 80 CD2 PHE A 7 2.905 -6.395 -19.732 1.00 0.00 C ATOM 81 CE1 PHE A 7 4.362 -6.129 -17.407 1.00 0.00 C ATOM 82 CE2 PHE A 7 4.098 -5.702 -19.743 1.00 0.00 C ATOM 83 CZ PHE A 7 4.827 -5.567 -18.579 1.00 0.00 C ATOM 0 H PHE A 7 0.375 -6.254 -16.647 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.013 -6.171 -19.503 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.069 -8.322 -17.655 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.098 -8.391 -19.406 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.811 -7.259 -16.482 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.337 -6.495 -20.645 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.931 -6.026 -16.495 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.461 -5.266 -20.662 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.760 -5.023 -18.585 1.00 0.00 H new ATOM 93 N GLY A 8 -2.462 -6.900 -19.015 1.00 0.00 N ATOM 94 CA GLY A 8 -3.739 -7.535 -19.171 1.00 0.00 C ATOM 95 C GLY A 8 -4.856 -6.532 -19.307 1.00 0.00 C ATOM 96 O GLY A 8 -5.345 -6.284 -20.408 1.00 0.00 O ATOM 0 H GLY A 8 -2.473 -5.888 -19.142 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.719 -8.177 -20.052 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.932 -8.178 -18.312 1.00 0.00 H new ATOM 100 N ALA A 9 -5.222 -5.918 -18.201 1.00 0.00 N ATOM 101 CA ALA A 9 -6.326 -4.962 -18.166 1.00 0.00 C ATOM 102 C ALA A 9 -5.861 -3.553 -18.518 1.00 0.00 C ATOM 103 O ALA A 9 -6.611 -2.587 -18.386 1.00 0.00 O ATOM 104 CB ALA A 9 -6.989 -4.975 -16.796 1.00 0.00 C ATOM 0 H ALA A 9 -4.768 -6.062 -17.299 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.054 -5.266 -18.918 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.810 -4.258 -16.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.375 -5.973 -16.588 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.257 -4.703 -16.035 1.00 0.00 H new ATOM 110 N GLY A 10 -4.630 -3.441 -18.973 1.00 0.00 N ATOM 111 CA GLY A 10 -4.096 -2.153 -19.349 1.00 0.00 C ATOM 112 C GLY A 10 -4.337 -1.858 -20.810 1.00 0.00 C ATOM 113 O GLY A 10 -3.392 -1.715 -21.584 1.00 0.00 O ATOM 0 H GLY A 10 -3.985 -4.223 -19.090 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.556 -1.375 -18.739 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.026 -2.128 -19.144 1.00 0.00 H new ATOM 117 N CYS A 11 -5.598 -1.783 -21.188 1.00 0.00 N ATOM 118 CA CYS A 11 -5.965 -1.526 -22.569 1.00 0.00 C ATOM 119 C CYS A 11 -5.866 -0.021 -22.886 1.00 0.00 C ATOM 120 O CYS A 11 -5.290 0.749 -22.109 1.00 0.00 O ATOM 121 CB CYS A 11 -7.371 -2.060 -22.847 1.00 0.00 C ATOM 122 SG CYS A 11 -7.672 -2.495 -24.576 1.00 0.00 S ATOM 0 H CYS A 11 -6.390 -1.897 -20.555 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.267 -2.048 -23.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.542 -2.941 -22.228 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.099 -1.309 -22.541 1.00 0.00 H new ATOM 127 N THR A 12 -6.431 0.400 -24.010 1.00 0.00 N ATOM 128 CA THR A 12 -6.317 1.786 -24.428 1.00 0.00 C ATOM 129 C THR A 12 -7.680 2.395 -24.787 1.00 0.00 C ATOM 130 O THR A 12 -8.626 1.680 -25.165 1.00 0.00 O ATOM 131 CB THR A 12 -5.335 1.930 -25.624 1.00 0.00 C ATOM 132 OG1 THR A 12 -5.221 3.300 -26.010 1.00 0.00 O ATOM 133 CG2 THR A 12 -5.792 1.108 -26.820 1.00 0.00 C ATOM 0 H THR A 12 -6.968 -0.194 -24.642 1.00 0.00 H new ATOM 0 HA THR A 12 -5.919 2.339 -23.577 1.00 0.00 H new ATOM 0 HB THR A 12 -4.364 1.558 -25.297 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.874 3.354 -26.925 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.083 1.231 -27.639 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.844 0.056 -26.540 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.777 1.447 -27.139 1.00 0.00 H new ATOM 141 N ASP A 13 -7.770 3.719 -24.664 1.00 0.00 N ATOM 142 CA ASP A 13 -8.990 4.461 -24.971 1.00 0.00 C ATOM 143 C ASP A 13 -9.251 4.462 -26.468 1.00 0.00 C ATOM 144 O ASP A 13 -10.396 4.476 -26.917 1.00 0.00 O ATOM 145 CB ASP A 13 -8.887 5.897 -24.457 1.00 0.00 C ATOM 146 CG ASP A 13 -10.109 6.722 -24.793 1.00 0.00 C ATOM 147 OD1 ASP A 13 -11.173 6.486 -24.187 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.012 7.616 -25.661 1.00 0.00 O ATOM 0 H ASP A 13 -6.998 4.307 -24.349 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.824 3.968 -24.471 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.748 5.883 -23.376 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.004 6.370 -24.886 1.00 0.00 H new ATOM 153 N THR A 14 -8.182 4.414 -27.238 1.00 0.00 N ATOM 154 CA THR A 14 -8.273 4.371 -28.686 1.00 0.00 C ATOM 155 C THR A 14 -9.007 3.102 -29.132 1.00 0.00 C ATOM 156 O THR A 14 -9.574 3.033 -30.228 1.00 0.00 O ATOM 157 CB THR A 14 -6.864 4.385 -29.296 1.00 0.00 C ATOM 158 OG1 THR A 14 -6.089 5.430 -28.690 1.00 0.00 O ATOM 159 CG2 THR A 14 -6.931 4.601 -30.791 1.00 0.00 C ATOM 0 H THR A 14 -7.227 4.404 -26.880 1.00 0.00 H new ATOM 0 HA THR A 14 -8.828 5.245 -29.028 1.00 0.00 H new ATOM 0 HB THR A 14 -6.392 3.421 -29.107 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.189 5.437 -29.078 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.922 4.608 -31.203 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.505 3.796 -31.250 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.414 5.556 -30.999 1.00 0.00 H new ATOM 167 N CYS A 15 -9.020 2.122 -28.259 1.00 0.00 N ATOM 168 CA CYS A 15 -9.643 0.858 -28.540 1.00 0.00 C ATOM 169 C CYS A 15 -11.130 0.894 -28.231 1.00 0.00 C ATOM 170 O CYS A 15 -11.859 -0.044 -28.528 1.00 0.00 O ATOM 171 CB CYS A 15 -8.986 -0.219 -27.719 1.00 0.00 C ATOM 172 SG CYS A 15 -8.668 -1.716 -28.637 1.00 0.00 S ATOM 0 H CYS A 15 -8.597 2.183 -27.333 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.521 0.647 -29.602 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.045 0.161 -27.321 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.622 -0.453 -26.865 1.00 0.00 H new ATOM 177 N LYS A 16 -11.580 1.984 -27.639 1.00 0.00 N ATOM 178 CA LYS A 16 -12.980 2.123 -27.260 1.00 0.00 C ATOM 179 C LYS A 16 -13.821 2.587 -28.449 1.00 0.00 C ATOM 180 O LYS A 16 -15.000 2.893 -28.308 1.00 0.00 O ATOM 181 CB LYS A 16 -13.116 3.111 -26.092 1.00 0.00 C ATOM 182 CG LYS A 16 -12.214 2.816 -24.879 1.00 0.00 C ATOM 183 CD LYS A 16 -12.684 1.609 -24.067 1.00 0.00 C ATOM 184 CE LYS A 16 -12.192 0.279 -24.643 1.00 0.00 C ATOM 185 NZ LYS A 16 -10.761 0.018 -24.319 1.00 0.00 N ATOM 0 H LYS A 16 -10.998 2.789 -27.408 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.349 1.148 -26.942 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.892 4.114 -26.456 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.154 3.117 -25.760 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.195 2.641 -25.224 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.185 3.693 -24.233 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.331 1.708 -23.040 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.773 1.603 -24.031 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.805 -0.533 -24.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.322 0.284 -25.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.482 -0.908 -24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.168 0.760 -24.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.633 0.020 -23.287 1.00 0.00 H new ATOM 199 N GLN A 17 -13.204 2.639 -29.623 1.00 0.00 N ATOM 200 CA GLN A 17 -13.909 3.056 -30.822 1.00 0.00 C ATOM 201 C GLN A 17 -14.405 1.826 -31.564 1.00 0.00 C ATOM 202 O GLN A 17 -13.965 0.712 -31.284 1.00 0.00 O ATOM 203 CB GLN A 17 -13.000 3.884 -31.760 1.00 0.00 C ATOM 204 CG GLN A 17 -12.097 4.907 -31.081 1.00 0.00 C ATOM 205 CD GLN A 17 -12.789 5.743 -30.027 1.00 0.00 C ATOM 206 OE1 GLN A 17 -12.569 5.395 -28.782 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 -13.452 6.735 -30.330 1.00 0.00 N flip ATOM 0 H GLN A 17 -12.223 2.399 -29.767 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.746 3.685 -30.520 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.374 3.196 -32.328 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.632 4.406 -32.478 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.257 4.385 -30.621 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.683 5.570 -31.841 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.599 6.970 -31.312 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.854 7.322 -29.599 1.00 0.00 H new ATOM 216 N THR A 18 -15.307 2.024 -32.504 1.00 0.00 N ATOM 217 CA THR A 18 -15.828 0.922 -33.311 1.00 0.00 C ATOM 218 C THR A 18 -16.075 1.378 -34.752 1.00 0.00 C ATOM 219 O THR A 18 -17.069 2.047 -35.035 1.00 0.00 O ATOM 220 CB THR A 18 -17.130 0.320 -32.719 1.00 0.00 C ATOM 221 OG1 THR A 18 -18.018 1.366 -32.309 1.00 0.00 O ATOM 222 CG2 THR A 18 -16.831 -0.589 -31.534 1.00 0.00 C ATOM 0 H THR A 18 -15.700 2.937 -32.734 1.00 0.00 H new ATOM 0 HA THR A 18 -15.069 0.140 -33.302 1.00 0.00 H new ATOM 0 HB THR A 18 -17.604 -0.276 -33.499 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.099 2.027 -33.028 1.00 0.00 H new ATOM 0 HG21 THR A 18 -17.764 -0.995 -31.142 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.187 -1.407 -31.856 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.328 -0.017 -30.754 1.00 0.00 H new ATOM 230 N PRO A 19 -15.161 1.037 -35.684 1.00 0.00 N ATOM 231 CA PRO A 19 -13.960 0.247 -35.388 1.00 0.00 C ATOM 232 C PRO A 19 -12.954 1.027 -34.561 1.00 0.00 C ATOM 233 O PRO A 19 -12.930 2.259 -34.593 1.00 0.00 O ATOM 234 CB PRO A 19 -13.363 -0.061 -36.768 1.00 0.00 C ATOM 235 CG PRO A 19 -14.409 0.344 -37.759 1.00 0.00 C ATOM 236 CD PRO A 19 -15.227 1.409 -37.095 1.00 0.00 C ATOM 0 HA PRO A 19 -14.204 -0.643 -34.807 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.437 0.492 -36.927 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.122 -1.120 -36.863 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.952 0.719 -38.675 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.031 -0.507 -38.038 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.816 2.403 -37.271 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.253 1.419 -37.463 1.00 0.00 H new ATOM 244 N CYS A 20 -12.133 0.311 -33.827 1.00 0.00 N ATOM 245 CA CYS A 20 -11.150 0.917 -32.964 1.00 0.00 C ATOM 246 C CYS A 20 -10.150 1.742 -33.773 1.00 0.00 C ATOM 247 O CYS A 20 -10.034 1.578 -34.994 1.00 0.00 O ATOM 248 CB CYS A 20 -10.422 -0.160 -32.202 1.00 0.00 C ATOM 249 SG CYS A 20 -9.349 -1.140 -33.231 1.00 0.00 S ATOM 0 H CYS A 20 -12.130 -0.709 -33.813 1.00 0.00 H new ATOM 0 HA CYS A 20 -11.660 1.583 -32.268 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.834 0.300 -31.408 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -11.151 -0.813 -31.722 1.00 0.00 H new ATOM 254 N GLY A 21 -9.431 2.618 -33.101 1.00 0.00 N ATOM 255 CA GLY A 21 -8.462 3.442 -33.781 1.00 0.00 C ATOM 256 C GLY A 21 -7.063 2.878 -33.685 1.00 0.00 C ATOM 257 O GLY A 21 -6.086 3.584 -33.930 1.00 0.00 O ATOM 0 H GLY A 21 -9.500 2.774 -32.095 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.742 3.538 -34.830 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.477 4.445 -33.354 1.00 0.00 H new ATOM 261 N CYS A 22 -6.966 1.610 -33.309 1.00 0.00 N ATOM 262 CA CYS A 22 -5.668 0.950 -33.190 1.00 0.00 C ATOM 263 C CYS A 22 -5.008 0.775 -34.555 1.00 0.00 C ATOM 264 O CYS A 22 -3.931 1.321 -34.806 1.00 0.00 O ATOM 265 CB CYS A 22 -5.800 -0.413 -32.506 1.00 0.00 C ATOM 266 SG CYS A 22 -6.081 -0.345 -30.727 1.00 0.00 S ATOM 0 H CYS A 22 -7.765 1.018 -33.082 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.038 1.593 -32.575 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.623 -0.957 -32.969 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.893 -0.987 -32.694 1.00 0.00 H new ATOM 271 N GLY A 23 -5.659 0.010 -35.428 1.00 0.00 N ATOM 272 CA GLY A 23 -5.117 -0.247 -36.752 1.00 0.00 C ATOM 273 C GLY A 23 -3.887 -1.125 -36.695 1.00 0.00 C ATOM 274 O GLY A 23 -3.985 -2.349 -36.720 1.00 0.00 O ATOM 0 H GLY A 23 -6.556 -0.438 -35.241 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.877 -0.726 -37.369 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.866 0.699 -37.232 1.00 0.00 H new ATOM 278 N SER A 24 -2.731 -0.497 -36.613 1.00 0.00 N ATOM 279 CA SER A 24 -1.477 -1.207 -36.506 1.00 0.00 C ATOM 280 C SER A 24 -0.646 -0.647 -35.346 1.00 0.00 C ATOM 281 O SER A 24 0.527 -0.990 -35.176 1.00 0.00 O ATOM 282 CB SER A 24 -0.708 -1.130 -37.833 1.00 0.00 C ATOM 283 OG SER A 24 -0.713 0.193 -38.359 1.00 0.00 O ATOM 0 H SER A 24 -2.637 0.519 -36.619 1.00 0.00 H new ATOM 0 HA SER A 24 -1.680 -2.257 -36.296 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.320 -1.458 -37.679 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.156 -1.812 -38.555 1.00 0.00 H new ATOM 0 HG SER A 24 -0.215 0.211 -39.203 1.00 0.00 H new ATOM 289 N GLY A 25 -1.273 0.203 -34.541 1.00 0.00 N ATOM 290 CA GLY A 25 -0.599 0.798 -33.407 1.00 0.00 C ATOM 291 C GLY A 25 -1.347 0.548 -32.122 1.00 0.00 C ATOM 292 O GLY A 25 -1.917 1.465 -31.535 1.00 0.00 O ATOM 0 H GLY A 25 -2.245 0.491 -34.657 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.409 0.390 -33.327 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.497 1.871 -33.566 1.00 0.00 H new ATOM 296 N CYS A 26 -1.349 -0.693 -31.690 1.00 0.00 N ATOM 297 CA CYS A 26 -2.059 -1.087 -30.490 1.00 0.00 C ATOM 298 C CYS A 26 -1.354 -0.594 -29.240 1.00 0.00 C ATOM 299 O CYS A 26 -0.137 -0.714 -29.112 1.00 0.00 O ATOM 300 CB CYS A 26 -2.190 -2.599 -30.439 1.00 0.00 C ATOM 301 SG CYS A 26 -2.937 -3.310 -31.909 1.00 0.00 S ATOM 0 H CYS A 26 -0.861 -1.457 -32.158 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.049 -0.632 -30.523 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.201 -3.036 -30.297 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.787 -2.874 -29.570 1.00 0.00 H new ATOM 306 N ASN A 27 -2.120 -0.020 -28.337 1.00 0.00 N ATOM 307 CA ASN A 27 -1.597 0.440 -27.054 1.00 0.00 C ATOM 308 C ASN A 27 -2.140 -0.445 -25.950 1.00 0.00 C ATOM 309 O ASN A 27 -2.000 -0.155 -24.763 1.00 0.00 O ATOM 310 CB ASN A 27 -1.982 1.907 -26.793 1.00 0.00 C ATOM 311 CG ASN A 27 -1.136 2.910 -27.572 1.00 0.00 C ATOM 312 OD1 ASN A 27 -0.642 2.513 -28.725 1.00 0.00 O flip ATOM 313 ND2 ASN A 27 -0.932 4.037 -27.126 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.119 0.144 -28.464 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.509 0.379 -27.076 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.031 2.050 -27.053 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.887 2.115 -25.727 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.331 4.310 -26.228 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.363 4.699 -27.654 1.00 0.00 H new ATOM 320 N CYS A 28 -2.759 -1.534 -26.362 1.00 0.00 N ATOM 321 CA CYS A 28 -3.356 -2.481 -25.454 1.00 0.00 C ATOM 322 C CYS A 28 -2.442 -3.682 -25.234 1.00 0.00 C ATOM 323 O CYS A 28 -1.380 -3.793 -25.856 1.00 0.00 O ATOM 324 CB CYS A 28 -4.698 -2.935 -26.013 1.00 0.00 C ATOM 325 SG CYS A 28 -4.641 -3.401 -27.759 1.00 0.00 S ATOM 0 H CYS A 28 -2.860 -1.784 -27.346 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.506 -1.996 -24.489 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.055 -3.785 -25.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.425 -2.133 -25.884 1.00 0.00 H new ATOM 330 N LYS A 29 -2.856 -4.572 -24.349 1.00 0.00 N ATOM 331 CA LYS A 29 -2.086 -5.767 -24.030 1.00 0.00 C ATOM 332 C LYS A 29 -2.603 -6.963 -24.818 1.00 0.00 C ATOM 333 O LYS A 29 -3.605 -6.867 -25.520 1.00 0.00 O ATOM 334 CB LYS A 29 -2.151 -6.063 -22.524 1.00 0.00 C ATOM 335 CG LYS A 29 -1.144 -5.288 -21.666 1.00 0.00 C ATOM 336 CD LYS A 29 -1.173 -3.796 -21.936 1.00 0.00 C ATOM 337 CE LYS A 29 -0.262 -3.042 -20.988 1.00 0.00 C ATOM 338 NZ LYS A 29 -0.334 -1.569 -21.197 1.00 0.00 N ATOM 0 H LYS A 29 -3.731 -4.490 -23.832 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.048 -5.587 -24.308 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.157 -5.839 -22.168 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.990 -7.130 -22.372 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.357 -5.467 -20.612 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.141 -5.669 -21.857 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.867 -3.605 -22.965 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.193 -3.426 -21.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.536 -3.276 -19.959 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.765 -3.378 -21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.031 -1.081 -20.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.239 -1.307 -22.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.323 -1.289 -21.358 1.00 0.00 H new ATOM 352 N GLU A 30 -1.935 -8.097 -24.664 1.00 0.00 N ATOM 353 CA GLU A 30 -2.299 -9.327 -25.387 1.00 0.00 C ATOM 354 C GLU A 30 -3.485 -10.041 -24.733 1.00 0.00 C ATOM 355 O GLU A 30 -3.775 -11.195 -25.037 1.00 0.00 O ATOM 356 CB GLU A 30 -1.095 -10.262 -25.461 1.00 0.00 C ATOM 357 CG GLU A 30 -0.552 -10.687 -24.105 1.00 0.00 C ATOM 358 CD GLU A 30 0.781 -11.380 -24.218 1.00 0.00 C ATOM 359 OE1 GLU A 30 1.818 -10.691 -24.143 1.00 0.00 O ATOM 360 OE2 GLU A 30 0.804 -12.615 -24.397 1.00 0.00 O ATOM 0 H GLU A 30 -1.132 -8.200 -24.043 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.602 -9.045 -26.395 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.375 -11.153 -26.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.300 -9.769 -26.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.451 -9.810 -23.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.266 -11.354 -23.622 1.00 0.00 H new ATOM 367 N ASP A 31 -4.165 -9.339 -23.851 1.00 0.00 N ATOM 368 CA ASP A 31 -5.320 -9.881 -23.141 1.00 0.00 C ATOM 369 C ASP A 31 -6.610 -9.368 -23.789 1.00 0.00 C ATOM 370 O ASP A 31 -7.720 -9.645 -23.330 1.00 0.00 O ATOM 371 CB ASP A 31 -5.242 -9.456 -21.667 1.00 0.00 C ATOM 372 CG ASP A 31 -6.332 -10.048 -20.799 1.00 0.00 C ATOM 373 OD1 ASP A 31 -6.234 -11.245 -20.447 1.00 0.00 O ATOM 374 OD2 ASP A 31 -7.272 -9.315 -20.434 1.00 0.00 O ATOM 0 H ASP A 31 -3.938 -8.376 -23.601 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.320 -10.970 -23.197 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.272 -9.749 -21.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.295 -8.369 -21.609 1.00 0.00 H new ATOM 379 N CYS A 32 -6.442 -8.634 -24.874 1.00 0.00 N ATOM 380 CA CYS A 32 -7.554 -8.033 -25.587 1.00 0.00 C ATOM 381 C CYS A 32 -8.255 -9.066 -26.487 1.00 0.00 C ATOM 382 O CYS A 32 -7.642 -10.048 -26.923 1.00 0.00 O ATOM 383 CB CYS A 32 -7.046 -6.846 -26.413 1.00 0.00 C ATOM 384 SG CYS A 32 -8.341 -5.797 -27.103 1.00 0.00 S ATOM 0 H CYS A 32 -5.530 -8.438 -25.286 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.288 -7.678 -24.864 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.399 -6.234 -25.785 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.432 -7.226 -27.229 1.00 0.00 H new ATOM 389 N ARG A 33 -9.540 -8.842 -26.747 1.00 0.00 N ATOM 390 CA ARG A 33 -10.347 -9.738 -27.575 1.00 0.00 C ATOM 391 C ARG A 33 -11.035 -8.967 -28.685 1.00 0.00 C ATOM 392 O ARG A 33 -12.166 -9.283 -29.067 1.00 0.00 O ATOM 393 CB ARG A 33 -11.411 -10.444 -26.725 1.00 0.00 C ATOM 394 CG ARG A 33 -10.874 -11.542 -25.834 1.00 0.00 C ATOM 395 CD ARG A 33 -10.212 -12.637 -26.650 1.00 0.00 C ATOM 396 NE ARG A 33 -11.096 -13.172 -27.697 1.00 0.00 N ATOM 397 CZ ARG A 33 -10.677 -13.941 -28.714 1.00 0.00 C ATOM 398 NH1 ARG A 33 -9.395 -14.275 -28.819 1.00 0.00 N ATOM 399 NH2 ARG A 33 -11.542 -14.373 -29.624 1.00 0.00 N ATOM 0 H ARG A 33 -10.052 -8.035 -26.391 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.678 -10.480 -28.011 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.913 -9.702 -26.104 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.165 -10.868 -27.388 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.154 -11.124 -25.131 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.687 -11.965 -25.244 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.305 -12.245 -27.110 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.908 -13.447 -25.987 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.089 -12.944 -27.647 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.724 -13.947 -28.125 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.082 -14.860 -29.594 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.528 -14.121 -29.551 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.221 -14.957 -30.396 1.00 0.00 H new ATOM 413 N CYS A 34 -10.354 -7.988 -29.222 1.00 0.00 N ATOM 414 CA CYS A 34 -10.940 -7.154 -30.239 1.00 0.00 C ATOM 415 C CYS A 34 -10.641 -7.705 -31.615 1.00 0.00 C ATOM 416 O CYS A 34 -9.483 -7.846 -31.998 1.00 0.00 O ATOM 417 CB CYS A 34 -10.416 -5.725 -30.122 1.00 0.00 C ATOM 418 SG CYS A 34 -11.496 -4.484 -30.852 1.00 0.00 S ATOM 0 H CYS A 34 -9.394 -7.749 -28.973 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.020 -7.145 -30.094 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.269 -5.489 -29.068 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -9.439 -5.668 -30.601 1.00 0.00 H new ATOM 423 N GLN A 35 -11.693 -8.009 -32.360 1.00 0.00 N ATOM 424 CA GLN A 35 -11.559 -8.545 -33.704 1.00 0.00 C ATOM 425 C GLN A 35 -11.055 -7.471 -34.662 1.00 0.00 C ATOM 426 O GLN A 35 -10.579 -7.777 -35.757 1.00 0.00 O ATOM 427 CB GLN A 35 -12.900 -9.118 -34.188 1.00 0.00 C ATOM 428 CG GLN A 35 -13.414 -10.263 -33.323 1.00 0.00 C ATOM 429 CD GLN A 35 -12.605 -11.539 -33.488 1.00 0.00 C ATOM 430 OE1 GLN A 35 -12.135 -11.853 -34.576 1.00 0.00 O ATOM 431 NE2 GLN A 35 -12.407 -12.245 -32.403 1.00 0.00 N ATOM 0 H GLN A 35 -12.658 -7.892 -32.051 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.827 -9.353 -33.683 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.643 -8.321 -34.203 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.788 -9.469 -35.214 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.393 -9.959 -32.277 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.455 -10.464 -33.576 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.817 -11.946 -31.518 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.842 -13.093 -32.443 1.00 0.00 H new ATOM 440 N SER A 36 -11.149 -6.216 -34.234 1.00 0.00 N ATOM 441 CA SER A 36 -10.700 -5.095 -35.033 1.00 0.00 C ATOM 442 C SER A 36 -9.183 -5.140 -35.243 1.00 0.00 C ATOM 443 O SER A 36 -8.704 -5.102 -36.368 1.00 0.00 O ATOM 444 CB SER A 36 -11.114 -3.777 -34.367 1.00 0.00 C ATOM 445 OG SER A 36 -12.515 -3.750 -34.129 1.00 0.00 O ATOM 0 H SER A 36 -11.537 -5.954 -33.328 1.00 0.00 H new ATOM 0 HA SER A 36 -11.173 -5.159 -36.013 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.578 -3.656 -33.425 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.833 -2.938 -35.004 1.00 0.00 H new ATOM 0 HG SER A 36 -12.689 -3.922 -33.180 1.00 0.00 H new ATOM 451 N CYS A 37 -8.442 -5.263 -34.158 1.00 0.00 N ATOM 452 CA CYS A 37 -6.989 -5.295 -34.224 1.00 0.00 C ATOM 453 C CYS A 37 -6.485 -6.707 -33.973 1.00 0.00 C ATOM 454 O CYS A 37 -5.365 -6.917 -33.501 1.00 0.00 O ATOM 455 CB CYS A 37 -6.401 -4.328 -33.196 1.00 0.00 C ATOM 456 SG CYS A 37 -6.949 -4.632 -31.502 1.00 0.00 S ATOM 0 H CYS A 37 -8.822 -5.343 -33.215 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.670 -4.986 -35.219 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.314 -4.393 -33.232 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.669 -3.309 -33.476 1.00 0.00 H new ATOM 461 N LYS A 38 -7.301 -7.674 -34.333 1.00 0.00 N ATOM 462 CA LYS A 38 -6.988 -9.071 -34.112 1.00 0.00 C ATOM 463 C LYS A 38 -6.143 -9.597 -35.264 1.00 0.00 C ATOM 464 O LYS A 38 -6.517 -10.535 -35.965 1.00 0.00 O ATOM 465 CB LYS A 38 -8.286 -9.864 -33.953 1.00 0.00 C ATOM 466 CG LYS A 38 -8.158 -11.163 -33.167 1.00 0.00 C ATOM 467 CD LYS A 38 -8.080 -12.400 -34.061 1.00 0.00 C ATOM 468 CE LYS A 38 -9.270 -12.513 -34.998 1.00 0.00 C ATOM 469 NZ LYS A 38 -9.316 -13.833 -35.671 1.00 0.00 N ATOM 0 H LYS A 38 -8.200 -7.515 -34.787 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.408 -9.185 -33.196 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.023 -9.230 -33.460 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.677 -10.094 -34.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.266 -11.116 -32.543 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.012 -11.260 -32.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.162 -12.364 -34.647 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.026 -13.293 -33.438 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.191 -12.359 -34.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.218 -11.724 -35.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.142 -13.872 -36.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.448 -13.969 -36.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.391 -14.585 -34.956 1.00 0.00 H new ATOM 483 N TYR A 39 -5.026 -8.951 -35.465 1.00 0.00 N ATOM 484 CA TYR A 39 -4.085 -9.333 -36.503 1.00 0.00 C ATOM 485 C TYR A 39 -2.901 -10.071 -35.907 1.00 0.00 C ATOM 486 O TYR A 39 -2.687 -10.049 -34.694 1.00 0.00 O ATOM 487 CB TYR A 39 -3.596 -8.106 -37.302 1.00 0.00 C ATOM 488 CG TYR A 39 -2.916 -7.030 -36.469 1.00 0.00 C ATOM 489 CD1 TYR A 39 -1.564 -7.112 -36.156 1.00 0.00 C ATOM 490 CD2 TYR A 39 -3.625 -5.929 -36.009 1.00 0.00 C ATOM 491 CE1 TYR A 39 -0.942 -6.132 -35.409 1.00 0.00 C ATOM 492 CE2 TYR A 39 -3.009 -4.945 -35.259 1.00 0.00 C ATOM 493 CZ TYR A 39 -1.668 -5.051 -34.964 1.00 0.00 C ATOM 494 OH TYR A 39 -1.050 -4.071 -34.218 1.00 0.00 O ATOM 0 H TYR A 39 -4.735 -8.142 -34.916 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.608 -9.998 -37.190 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.901 -8.444 -38.070 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.448 -7.662 -37.817 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.990 -7.958 -36.504 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.676 -5.840 -36.241 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.109 -6.213 -35.175 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.577 -4.097 -34.906 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.626 -3.821 -33.465 1.00 0.00 H new ATOM 504 N GLY A 40 -2.139 -10.719 -36.758 1.00 0.00 N ATOM 505 CA GLY A 40 -0.969 -11.427 -36.316 1.00 0.00 C ATOM 506 C GLY A 40 0.273 -10.919 -37.004 1.00 0.00 C ATOM 507 O GLY A 40 0.205 -10.495 -38.166 1.00 0.00 O ATOM 0 H GLY A 40 -2.313 -10.768 -37.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.860 -11.316 -35.237 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.088 -12.492 -36.517 1.00 0.00 H new ATOM 511 N ALA A 41 1.396 -10.925 -36.277 1.00 0.00 N ATOM 512 CA ALA A 41 2.707 -10.486 -36.782 1.00 0.00 C ATOM 513 C ALA A 41 2.788 -8.968 -36.942 1.00 0.00 C ATOM 514 O ALA A 41 3.746 -8.338 -36.493 1.00 0.00 O ATOM 515 CB ALA A 41 3.069 -11.200 -38.080 1.00 0.00 C ATOM 0 H ALA A 41 1.423 -11.239 -35.307 1.00 0.00 H new ATOM 0 HA ALA A 41 3.445 -10.764 -36.029 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.043 -10.853 -38.427 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.108 -12.275 -37.905 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.316 -10.982 -38.837 1.00 0.00 H new ATOM 521 N GLY A 42 1.795 -8.391 -37.579 1.00 0.00 N ATOM 522 CA GLY A 42 1.773 -6.960 -37.772 1.00 0.00 C ATOM 523 C GLY A 42 1.188 -6.564 -39.105 1.00 0.00 C ATOM 524 O GLY A 42 1.903 -6.111 -39.993 1.00 0.00 O ATOM 0 H GLY A 42 0.995 -8.888 -37.971 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.193 -6.498 -36.973 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.788 -6.571 -37.695 1.00 0.00 H new ATOM 528 N CYS A 43 -0.113 -6.737 -39.250 1.00 0.00 N ATOM 529 CA CYS A 43 -0.795 -6.376 -40.476 1.00 0.00 C ATOM 530 C CYS A 43 -1.885 -5.351 -40.142 1.00 0.00 C ATOM 531 O CYS A 43 -2.092 -5.038 -38.971 1.00 0.00 O ATOM 532 CB CYS A 43 -1.386 -7.633 -41.137 1.00 0.00 C ATOM 533 SG CYS A 43 -1.708 -7.485 -42.919 1.00 0.00 S ATOM 0 H CYS A 43 -0.720 -7.127 -38.529 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.097 -5.931 -41.185 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.702 -8.466 -40.975 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.320 -7.885 -40.634 1.00 0.00 H new ATOM 538 N THR A 44 -2.575 -4.841 -41.143 1.00 0.00 N ATOM 539 CA THR A 44 -3.578 -3.807 -40.913 1.00 0.00 C ATOM 540 C THR A 44 -4.948 -4.386 -40.576 1.00 0.00 C ATOM 541 O THR A 44 -5.278 -5.508 -40.968 1.00 0.00 O ATOM 542 CB THR A 44 -3.703 -2.875 -42.125 1.00 0.00 C ATOM 543 OG1 THR A 44 -3.872 -3.652 -43.318 1.00 0.00 O ATOM 544 CG2 THR A 44 -2.472 -2.002 -42.250 1.00 0.00 C ATOM 0 H THR A 44 -2.465 -5.120 -42.118 1.00 0.00 H new ATOM 0 HA THR A 44 -3.231 -3.237 -40.051 1.00 0.00 H new ATOM 0 HB THR A 44 -4.573 -2.233 -41.985 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.953 -3.053 -44.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.577 -1.347 -43.115 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.361 -1.399 -41.349 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.591 -2.631 -42.376 1.00 0.00 H new ATOM 552 N ASP A 45 -5.742 -3.598 -39.853 1.00 0.00 N ATOM 553 CA ASP A 45 -7.093 -3.985 -39.448 1.00 0.00 C ATOM 554 C ASP A 45 -8.029 -3.994 -40.647 1.00 0.00 C ATOM 555 O ASP A 45 -8.952 -4.802 -40.726 1.00 0.00 O ATOM 556 CB ASP A 45 -7.625 -3.006 -38.390 1.00 0.00 C ATOM 557 CG ASP A 45 -7.827 -1.602 -38.931 1.00 0.00 C ATOM 558 OD1 ASP A 45 -6.836 -0.989 -39.388 1.00 0.00 O ATOM 559 OD2 ASP A 45 -8.971 -1.106 -38.903 1.00 0.00 O ATOM 0 H ASP A 45 -5.466 -2.671 -39.531 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.051 -4.989 -39.026 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.572 -3.379 -38.001 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.928 -2.970 -37.553 1.00 0.00 H new ATOM 564 N VAL A 46 -7.769 -3.097 -41.583 1.00 0.00 N ATOM 565 CA VAL A 46 -8.572 -2.974 -42.789 1.00 0.00 C ATOM 566 C VAL A 46 -8.505 -4.256 -43.623 1.00 0.00 C ATOM 567 O VAL A 46 -9.475 -4.640 -44.284 1.00 0.00 O ATOM 568 CB VAL A 46 -8.113 -1.759 -43.632 1.00 0.00 C ATOM 569 CG1 VAL A 46 -8.931 -1.632 -44.895 1.00 0.00 C ATOM 570 CG2 VAL A 46 -8.213 -0.483 -42.812 1.00 0.00 C ATOM 0 H VAL A 46 -6.996 -2.434 -41.529 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.607 -2.815 -42.488 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.073 -1.919 -43.917 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.586 -0.770 -45.467 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.817 -2.535 -45.495 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.981 -1.499 -44.636 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.887 0.364 -43.416 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.246 -0.331 -42.501 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.577 -0.566 -41.931 1.00 0.00 H new ATOM 580 N CYS A 47 -7.376 -4.926 -43.558 1.00 0.00 N ATOM 581 CA CYS A 47 -7.181 -6.167 -44.280 1.00 0.00 C ATOM 582 C CYS A 47 -7.861 -7.332 -43.548 1.00 0.00 C ATOM 583 O CYS A 47 -8.043 -8.412 -44.100 1.00 0.00 O ATOM 584 CB CYS A 47 -5.685 -6.442 -44.444 1.00 0.00 C ATOM 585 SG CYS A 47 -5.293 -7.963 -45.330 1.00 0.00 S ATOM 0 H CYS A 47 -6.570 -4.630 -43.007 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.636 -6.073 -45.266 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.231 -5.603 -44.971 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.226 -6.484 -43.456 1.00 0.00 H new ATOM 590 N LYS A 48 -8.250 -7.100 -42.306 1.00 0.00 N ATOM 591 CA LYS A 48 -8.874 -8.138 -41.503 1.00 0.00 C ATOM 592 C LYS A 48 -10.400 -7.975 -41.491 1.00 0.00 C ATOM 593 O LYS A 48 -11.089 -8.500 -40.610 1.00 0.00 O ATOM 594 CB LYS A 48 -8.302 -8.105 -40.079 1.00 0.00 C ATOM 595 CG LYS A 48 -6.774 -8.009 -40.043 1.00 0.00 C ATOM 596 CD LYS A 48 -6.105 -9.218 -40.701 1.00 0.00 C ATOM 597 CE LYS A 48 -4.666 -8.928 -41.075 1.00 0.00 C ATOM 598 NZ LYS A 48 -4.074 -10.034 -41.872 1.00 0.00 N ATOM 0 H LYS A 48 -8.145 -6.203 -41.832 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.652 -9.109 -41.945 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.725 -7.255 -39.544 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.615 -9.004 -39.548 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.456 -7.099 -40.551 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.441 -7.929 -39.008 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.140 -10.068 -40.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.663 -9.502 -41.593 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.618 -8.001 -41.646 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.078 -8.776 -40.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.274 -9.671 -42.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.739 -10.782 -41.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.794 -10.423 -42.514 1.00 0.00 H new ATOM 612 N GLN A 49 -10.920 -7.245 -42.479 1.00 0.00 N ATOM 613 CA GLN A 49 -12.364 -7.055 -42.624 1.00 0.00 C ATOM 614 C GLN A 49 -12.996 -8.254 -43.331 1.00 0.00 C ATOM 615 O GLN A 49 -12.297 -9.161 -43.793 1.00 0.00 O ATOM 616 CB GLN A 49 -12.679 -5.794 -43.436 1.00 0.00 C ATOM 617 CG GLN A 49 -12.319 -4.485 -42.768 1.00 0.00 C ATOM 618 CD GLN A 49 -12.752 -3.283 -43.604 1.00 0.00 C ATOM 619 OE1 GLN A 49 -12.032 -2.186 -43.468 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -13.722 -3.347 -44.349 1.00 0.00 N flip ATOM 0 H GLN A 49 -10.362 -6.775 -43.192 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.777 -6.952 -41.620 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.151 -5.854 -44.388 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -13.745 -5.785 -43.663 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.793 -4.435 -41.788 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.242 -4.445 -42.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.251 -4.216 -44.424 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.001 -2.531 -44.894 1.00 0.00 H new ATOM 629 N THR A 50 -14.315 -8.255 -43.409 1.00 0.00 N ATOM 630 CA THR A 50 -15.052 -9.292 -44.115 1.00 0.00 C ATOM 631 C THR A 50 -16.389 -8.729 -44.629 1.00 0.00 C ATOM 632 O THR A 50 -17.325 -8.549 -43.851 1.00 0.00 O ATOM 633 CB THR A 50 -15.319 -10.520 -43.216 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.078 -11.000 -42.667 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.979 -11.636 -44.016 1.00 0.00 C ATOM 0 H THR A 50 -14.906 -7.539 -42.986 1.00 0.00 H new ATOM 0 HA THR A 50 -14.439 -9.617 -44.955 1.00 0.00 H new ATOM 0 HB THR A 50 -15.988 -10.219 -42.410 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.252 -11.778 -42.096 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.159 -12.492 -43.366 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.927 -11.282 -44.421 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.324 -11.934 -44.835 1.00 0.00 H new ATOM 643 N PRO A 51 -16.489 -8.415 -45.946 1.00 0.00 N ATOM 644 CA PRO A 51 -15.389 -8.589 -46.907 1.00 0.00 C ATOM 645 C PRO A 51 -14.224 -7.656 -46.615 1.00 0.00 C ATOM 646 O PRO A 51 -14.386 -6.643 -45.933 1.00 0.00 O ATOM 647 CB PRO A 51 -16.027 -8.235 -48.255 1.00 0.00 C ATOM 648 CG PRO A 51 -17.169 -7.353 -47.908 1.00 0.00 C ATOM 649 CD PRO A 51 -17.687 -7.850 -46.592 1.00 0.00 C ATOM 0 HA PRO A 51 -14.973 -9.596 -46.871 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.318 -7.727 -48.908 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.362 -9.128 -48.782 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.851 -6.313 -47.835 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.943 -7.397 -48.674 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.120 -7.044 -46.000 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.465 -8.602 -46.724 1.00 0.00 H new ATOM 657 N CYS A 52 -13.060 -8.015 -47.121 1.00 0.00 N ATOM 658 CA CYS A 52 -11.842 -7.258 -46.890 1.00 0.00 C ATOM 659 C CYS A 52 -12.006 -5.789 -47.250 1.00 0.00 C ATOM 660 O CYS A 52 -12.692 -5.444 -48.215 1.00 0.00 O ATOM 661 CB CYS A 52 -10.709 -7.844 -47.691 1.00 0.00 C ATOM 662 SG CYS A 52 -9.125 -7.082 -47.350 1.00 0.00 S ATOM 0 H CYS A 52 -12.931 -8.841 -47.705 1.00 0.00 H new ATOM 0 HA CYS A 52 -11.619 -7.322 -45.825 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.642 -8.912 -47.483 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.933 -7.739 -48.753 1.00 0.00 H new ATOM 667 N GLY A 53 -11.349 -4.932 -46.491 1.00 0.00 N ATOM 668 CA GLY A 53 -11.471 -3.525 -46.717 1.00 0.00 C ATOM 669 C GLY A 53 -10.353 -2.960 -47.554 1.00 0.00 C ATOM 670 O GLY A 53 -10.427 -1.813 -47.986 1.00 0.00 O ATOM 0 H GLY A 53 -10.733 -5.194 -45.721 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.422 -3.324 -47.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.494 -3.010 -45.757 1.00 0.00 H new ATOM 674 N CYS A 54 -9.309 -3.749 -47.795 1.00 0.00 N ATOM 675 CA CYS A 54 -8.200 -3.288 -48.628 1.00 0.00 C ATOM 676 C CYS A 54 -8.667 -3.039 -50.059 1.00 0.00 C ATOM 677 O CYS A 54 -8.010 -2.354 -50.827 1.00 0.00 O ATOM 678 CB CYS A 54 -7.044 -4.283 -48.623 1.00 0.00 C ATOM 679 SG CYS A 54 -5.977 -4.206 -47.165 1.00 0.00 S ATOM 0 H CYS A 54 -9.207 -4.697 -47.432 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.842 -2.350 -48.203 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.451 -5.291 -48.704 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.434 -4.113 -49.510 1.00 0.00 H new ATOM 684 N ALA A 55 -9.807 -3.604 -50.408 1.00 0.00 N ATOM 685 CA ALA A 55 -10.384 -3.399 -51.719 1.00 0.00 C ATOM 686 C ALA A 55 -11.416 -2.277 -51.669 1.00 0.00 C ATOM 687 O ALA A 55 -11.980 -1.890 -52.691 1.00 0.00 O ATOM 688 CB ALA A 55 -11.016 -4.688 -52.225 1.00 0.00 C ATOM 0 H ALA A 55 -10.353 -4.211 -49.797 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.593 -3.110 -52.411 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.446 -4.519 -53.212 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.255 -5.466 -52.289 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.800 -5.003 -51.537 1.00 0.00 H new ATOM 694 N THR A 56 -11.642 -1.753 -50.471 1.00 0.00 N ATOM 695 CA THR A 56 -12.626 -0.706 -50.257 1.00 0.00 C ATOM 696 C THR A 56 -11.958 0.647 -49.961 1.00 0.00 C ATOM 697 O THR A 56 -12.324 1.664 -50.540 1.00 0.00 O ATOM 698 CB THR A 56 -13.559 -1.071 -49.079 1.00 0.00 C ATOM 699 OG1 THR A 56 -14.114 -2.378 -49.285 1.00 0.00 O ATOM 700 CG2 THR A 56 -14.688 -0.059 -48.943 1.00 0.00 C ATOM 0 H THR A 56 -11.150 -2.042 -49.626 1.00 0.00 H new ATOM 0 HA THR A 56 -13.205 -0.618 -51.176 1.00 0.00 H new ATOM 0 HB THR A 56 -12.969 -1.060 -48.162 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.703 -2.605 -48.535 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.329 -0.339 -48.107 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.269 0.931 -48.763 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.275 -0.043 -49.861 1.00 0.00 H new ATOM 708 N SER A 57 -10.969 0.647 -49.073 1.00 0.00 N ATOM 709 CA SER A 57 -10.312 1.889 -48.667 1.00 0.00 C ATOM 710 C SER A 57 -8.903 1.985 -49.233 1.00 0.00 C ATOM 711 O SER A 57 -8.100 2.810 -48.792 1.00 0.00 O ATOM 712 CB SER A 57 -10.264 1.974 -47.141 1.00 0.00 C ATOM 713 OG SER A 57 -9.729 0.789 -46.589 1.00 0.00 O ATOM 0 H SER A 57 -10.605 -0.192 -48.622 1.00 0.00 H new ATOM 0 HA SER A 57 -10.892 2.722 -49.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.657 2.828 -46.839 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.267 2.142 -46.750 1.00 0.00 H new ATOM 0 HG SER A 57 -10.320 0.463 -45.878 1.00 0.00 H new ATOM 719 N GLY A 58 -8.614 1.166 -50.219 1.00 0.00 N ATOM 720 CA GLY A 58 -7.287 1.140 -50.776 1.00 0.00 C ATOM 721 C GLY A 58 -6.442 0.098 -50.092 1.00 0.00 C ATOM 722 O GLY A 58 -6.626 -0.172 -48.903 1.00 0.00 O ATOM 0 H GLY A 58 -9.275 0.517 -50.646 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.340 0.929 -51.844 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.823 2.120 -50.668 1.00 0.00 H new ATOM 726 N CYS A 59 -5.529 -0.491 -50.818 1.00 0.00 N ATOM 727 CA CYS A 59 -4.709 -1.542 -50.265 1.00 0.00 C ATOM 728 C CYS A 59 -3.501 -0.971 -49.537 1.00 0.00 C ATOM 729 O CYS A 59 -2.935 0.050 -49.948 1.00 0.00 O ATOM 730 CB CYS A 59 -4.267 -2.499 -51.358 1.00 0.00 C ATOM 731 SG CYS A 59 -3.460 -3.974 -50.736 1.00 0.00 S ATOM 0 H CYS A 59 -5.333 -0.263 -51.793 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.309 -2.092 -49.540 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.136 -2.791 -51.947 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.586 -1.979 -52.032 1.00 0.00 H new ATOM 736 N ASN A 60 -3.114 -1.623 -48.455 1.00 0.00 N ATOM 737 CA ASN A 60 -1.982 -1.175 -47.654 1.00 0.00 C ATOM 738 C ASN A 60 -0.773 -2.084 -47.838 1.00 0.00 C ATOM 739 O ASN A 60 0.349 -1.608 -48.040 1.00 0.00 O ATOM 740 CB ASN A 60 -2.367 -1.109 -46.174 1.00 0.00 C ATOM 741 CG ASN A 60 -1.170 -0.862 -45.271 1.00 0.00 C ATOM 742 OD1 ASN A 60 -0.532 -1.802 -44.799 1.00 0.00 O ATOM 743 ND2 ASN A 60 -0.857 0.395 -45.030 1.00 0.00 N ATOM 0 H ASN A 60 -3.567 -2.468 -48.107 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.710 -0.177 -47.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.099 -0.314 -46.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.849 -2.043 -45.885 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.060 0.617 -44.433 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.411 1.146 -45.441 1.00 0.00 H new ATOM 750 N CYS A 61 -0.998 -3.380 -47.774 1.00 0.00 N ATOM 751 CA CYS A 61 0.076 -4.345 -47.896 1.00 0.00 C ATOM 752 C CYS A 61 0.325 -4.716 -49.357 1.00 0.00 C ATOM 753 O CYS A 61 -0.216 -4.086 -50.272 1.00 0.00 O ATOM 754 CB CYS A 61 -0.241 -5.580 -47.060 1.00 0.00 C ATOM 755 SG CYS A 61 -1.935 -6.152 -47.231 1.00 0.00 S ATOM 0 H CYS A 61 -1.921 -3.792 -47.637 1.00 0.00 H new ATOM 0 HA CYS A 61 0.993 -3.894 -47.518 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.436 -6.385 -47.346 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.046 -5.358 -46.011 1.00 0.00 H new ATOM 760 N THR A 62 1.155 -5.714 -49.577 1.00 0.00 N ATOM 761 CA THR A 62 1.500 -6.122 -50.917 1.00 0.00 C ATOM 762 C THR A 62 0.893 -7.473 -51.271 1.00 0.00 C ATOM 763 O THR A 62 0.202 -8.089 -50.461 1.00 0.00 O ATOM 764 CB THR A 62 3.030 -6.188 -51.097 1.00 0.00 C ATOM 765 OG1 THR A 62 3.598 -7.036 -50.091 1.00 0.00 O ATOM 766 CG2 THR A 62 3.649 -4.803 -51.004 1.00 0.00 C ATOM 0 H THR A 62 1.603 -6.258 -48.840 1.00 0.00 H new ATOM 0 HA THR A 62 1.088 -5.370 -51.590 1.00 0.00 H new ATOM 0 HB THR A 62 3.242 -6.595 -52.086 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.570 -7.078 -50.209 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.729 -4.877 -51.134 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.233 -4.165 -51.784 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.430 -4.372 -50.027 1.00 0.00 H new ATOM 774 N ASP A 63 1.185 -7.937 -52.485 1.00 0.00 N ATOM 775 CA ASP A 63 0.698 -9.229 -52.974 1.00 0.00 C ATOM 776 C ASP A 63 1.437 -10.373 -52.289 1.00 0.00 C ATOM 777 O ASP A 63 1.271 -11.538 -52.637 1.00 0.00 O ATOM 778 CB ASP A 63 0.870 -9.328 -54.496 1.00 0.00 C ATOM 779 CG ASP A 63 0.097 -8.266 -55.244 1.00 0.00 C ATOM 780 OD1 ASP A 63 0.668 -7.199 -55.530 1.00 0.00 O ATOM 781 OD2 ASP A 63 -1.085 -8.492 -55.552 1.00 0.00 O ATOM 0 H ASP A 63 1.763 -7.431 -53.156 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.363 -9.306 -52.736 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.928 -9.243 -54.744 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.543 -10.312 -54.831 1.00 0.00 H new ATOM 786 N ASP A 64 2.276 -10.014 -51.331 1.00 0.00 N ATOM 787 CA ASP A 64 3.013 -10.973 -50.532 1.00 0.00 C ATOM 788 C ASP A 64 2.074 -11.604 -49.511 1.00 0.00 C ATOM 789 O ASP A 64 2.271 -12.740 -49.084 1.00 0.00 O ATOM 790 CB ASP A 64 4.161 -10.261 -49.806 1.00 0.00 C ATOM 791 CG ASP A 64 5.143 -11.212 -49.155 1.00 0.00 C ATOM 792 OD1 ASP A 64 4.858 -11.715 -48.041 1.00 0.00 O ATOM 793 OD2 ASP A 64 6.219 -11.450 -49.750 1.00 0.00 O ATOM 0 H ASP A 64 2.464 -9.042 -51.086 1.00 0.00 H new ATOM 0 HA ASP A 64 3.423 -11.749 -51.178 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.695 -9.630 -50.517 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.746 -9.602 -49.044 1.00 0.00 H new ATOM 798 N CYS A 65 1.037 -10.855 -49.146 1.00 0.00 N ATOM 799 CA CYS A 65 0.067 -11.303 -48.151 1.00 0.00 C ATOM 800 C CYS A 65 -0.738 -12.490 -48.688 1.00 0.00 C ATOM 801 O CYS A 65 -1.011 -12.572 -49.886 1.00 0.00 O ATOM 802 CB CYS A 65 -0.883 -10.147 -47.764 1.00 0.00 C ATOM 803 SG CYS A 65 -1.792 -10.405 -46.194 1.00 0.00 S ATOM 0 H CYS A 65 0.846 -9.929 -49.528 1.00 0.00 H new ATOM 0 HA CYS A 65 0.609 -11.622 -47.261 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.303 -9.227 -47.687 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.605 -10.002 -48.568 1.00 0.00 H new ATOM 808 N LYS A 66 -1.112 -13.408 -47.797 1.00 0.00 N ATOM 809 CA LYS A 66 -1.889 -14.593 -48.186 1.00 0.00 C ATOM 810 C LYS A 66 -3.321 -14.242 -48.520 1.00 0.00 C ATOM 811 O LYS A 66 -4.085 -15.093 -48.963 1.00 0.00 O ATOM 812 CB LYS A 66 -1.896 -15.638 -47.077 1.00 0.00 C ATOM 813 CG LYS A 66 -0.657 -16.498 -47.015 1.00 0.00 C ATOM 814 CD LYS A 66 -0.808 -17.592 -45.970 1.00 0.00 C ATOM 815 CE LYS A 66 -0.840 -17.021 -44.564 1.00 0.00 C ATOM 816 NZ LYS A 66 -0.828 -18.089 -43.537 1.00 0.00 N ATOM 0 H LYS A 66 -0.892 -13.358 -46.802 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.403 -14.999 -49.073 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.019 -15.132 -46.120 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.764 -16.284 -47.210 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.471 -16.945 -47.991 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.208 -15.879 -46.777 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.725 -18.151 -46.157 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.019 -18.297 -46.058 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.019 -16.366 -44.418 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.733 -16.408 -44.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.851 -17.660 -42.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.661 -18.699 -43.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.036 -18.659 -43.639 1.00 0.00 H new ATOM 830 N CYS A 67 -3.692 -13.010 -48.295 1.00 0.00 N ATOM 831 CA CYS A 67 -5.037 -12.596 -48.541 1.00 0.00 C ATOM 832 C CYS A 67 -5.262 -12.336 -50.022 1.00 0.00 C ATOM 833 O CYS A 67 -4.734 -11.380 -50.588 1.00 0.00 O ATOM 834 CB CYS A 67 -5.376 -11.366 -47.728 1.00 0.00 C ATOM 835 SG CYS A 67 -7.127 -10.995 -47.722 1.00 0.00 S ATOM 0 H CYS A 67 -3.076 -12.278 -47.941 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.700 -13.404 -48.233 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.037 -11.510 -46.702 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.830 -10.511 -48.127 1.00 0.00 H new ATOM 840 N GLN A 68 -6.057 -13.191 -50.644 1.00 0.00 N ATOM 841 CA GLN A 68 -6.354 -13.083 -52.067 1.00 0.00 C ATOM 842 C GLN A 68 -7.487 -12.095 -52.317 1.00 0.00 C ATOM 843 O GLN A 68 -8.053 -12.048 -53.406 1.00 0.00 O ATOM 844 CB GLN A 68 -6.727 -14.453 -52.648 1.00 0.00 C ATOM 845 CG GLN A 68 -5.766 -15.576 -52.279 1.00 0.00 C ATOM 846 CD GLN A 68 -6.165 -16.300 -51.000 1.00 0.00 C ATOM 847 OE1 GLN A 68 -6.795 -15.727 -50.103 1.00 0.00 O ATOM 848 NE2 GLN A 68 -5.807 -17.566 -50.912 1.00 0.00 N ATOM 0 H GLN A 68 -6.514 -13.977 -50.181 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.456 -12.717 -52.564 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.727 -14.719 -52.305 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.773 -14.373 -53.734 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.722 -16.294 -53.098 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.763 -15.165 -52.161 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.288 -18.003 -51.673 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.049 -18.108 -50.083 1.00 0.00 H new ATOM 857 N SER A 69 -7.813 -11.314 -51.309 1.00 0.00 N ATOM 858 CA SER A 69 -8.877 -10.342 -51.421 1.00 0.00 C ATOM 859 C SER A 69 -8.350 -9.034 -52.006 1.00 0.00 C ATOM 860 O SER A 69 -9.030 -8.373 -52.791 1.00 0.00 O ATOM 861 CB SER A 69 -9.490 -10.091 -50.051 1.00 0.00 C ATOM 862 OG SER A 69 -9.735 -11.316 -49.375 1.00 0.00 O ATOM 0 H SER A 69 -7.353 -11.335 -50.399 1.00 0.00 H new ATOM 0 HA SER A 69 -9.641 -10.736 -52.091 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.820 -9.470 -49.456 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.423 -9.538 -50.161 1.00 0.00 H new ATOM 0 HG SER A 69 -9.020 -11.480 -48.726 1.00 0.00 H new ATOM 868 N CYS A 70 -7.138 -8.671 -51.618 1.00 0.00 N ATOM 869 CA CYS A 70 -6.523 -7.442 -52.080 1.00 0.00 C ATOM 870 C CYS A 70 -5.363 -7.711 -53.036 1.00 0.00 C ATOM 871 O CYS A 70 -4.914 -6.808 -53.755 1.00 0.00 O ATOM 872 CB CYS A 70 -6.056 -6.625 -50.885 1.00 0.00 C ATOM 873 SG CYS A 70 -5.330 -7.618 -49.559 1.00 0.00 S ATOM 0 H CYS A 70 -6.559 -9.216 -50.979 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.270 -6.876 -52.636 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -5.322 -5.893 -51.222 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.903 -6.066 -50.486 1.00 0.00 H new ATOM 878 N SER A 71 -4.881 -8.942 -53.057 1.00 0.00 N ATOM 879 CA SER A 71 -3.790 -9.303 -53.936 1.00 0.00 C ATOM 880 C SER A 71 -4.288 -9.520 -55.364 1.00 0.00 C ATOM 881 O SER A 71 -5.491 -9.659 -55.607 1.00 0.00 O ATOM 882 CB SER A 71 -3.063 -10.542 -53.414 1.00 0.00 C ATOM 883 OG SER A 71 -3.972 -11.585 -53.136 1.00 0.00 O ATOM 0 H SER A 71 -5.229 -9.704 -52.476 1.00 0.00 H new ATOM 0 HA SER A 71 -3.080 -8.476 -53.953 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.334 -10.878 -54.152 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.508 -10.288 -52.511 1.00 0.00 H new ATOM 0 HG SER A 71 -4.078 -11.677 -52.166 1.00 0.00 H new ATOM 889 N THR A 72 -3.365 -9.524 -56.293 1.00 0.00 N ATOM 890 CA THR A 72 -3.670 -9.689 -57.694 1.00 0.00 C ATOM 891 C THR A 72 -3.967 -11.143 -58.052 1.00 0.00 C ATOM 892 O THR A 72 -3.308 -12.081 -57.562 1.00 0.00 O ATOM 893 CB THR A 72 -2.516 -9.168 -58.558 1.00 0.00 C ATOM 894 OG1 THR A 72 -1.273 -9.628 -58.018 1.00 0.00 O ATOM 895 CG2 THR A 72 -2.517 -7.653 -58.597 1.00 0.00 C ATOM 0 H THR A 72 -2.370 -9.412 -56.097 1.00 0.00 H new ATOM 0 HA THR A 72 -4.569 -9.107 -57.896 1.00 0.00 H new ATOM 0 HB THR A 72 -2.644 -9.543 -59.573 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.076 -9.141 -57.191 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.690 -7.304 -59.216 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.459 -7.300 -59.018 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.403 -7.263 -57.586 1.00 0.00 H new ATOM 903 N ALA A 73 -4.958 -11.323 -58.902 1.00 0.00 N ATOM 904 CA ALA A 73 -5.360 -12.629 -59.362 1.00 0.00 C ATOM 905 C ALA A 73 -4.370 -13.155 -60.388 1.00 0.00 C ATOM 906 O ALA A 73 -3.744 -12.381 -61.111 1.00 0.00 O ATOM 907 CB ALA A 73 -6.753 -12.550 -59.972 1.00 0.00 C ATOM 0 H ALA A 73 -5.509 -10.559 -59.293 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.377 -13.314 -58.514 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.055 -13.538 -60.319 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.460 -12.198 -59.221 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.743 -11.857 -60.814 1.00 0.00 H new ATOM 913 N CYS A 74 -4.216 -14.466 -60.440 1.00 0.00 N ATOM 914 CA CYS A 74 -3.336 -15.079 -61.417 1.00 0.00 C ATOM 915 C CYS A 74 -4.081 -15.221 -62.737 1.00 0.00 C ATOM 916 O CYS A 74 -5.303 -15.367 -62.750 1.00 0.00 O ATOM 917 CB CYS A 74 -2.841 -16.445 -60.927 1.00 0.00 C ATOM 918 SG CYS A 74 -1.037 -16.626 -60.933 1.00 0.00 S ATOM 0 H CYS A 74 -4.687 -15.124 -59.819 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.462 -14.444 -61.559 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.208 -16.610 -59.914 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.275 -17.223 -61.555 1.00 0.00 H new ATOM 923 N LYS A 75 -3.354 -15.183 -63.836 1.00 0.00 N ATOM 924 CA LYS A 75 -3.968 -15.235 -65.159 1.00 0.00 C ATOM 925 C LYS A 75 -4.030 -16.663 -65.689 1.00 0.00 C ATOM 926 O LYS A 75 -4.213 -16.897 -66.889 1.00 0.00 O ATOM 927 CB LYS A 75 -3.204 -14.333 -66.126 1.00 0.00 C ATOM 928 CG LYS A 75 -3.133 -12.874 -65.682 1.00 0.00 C ATOM 929 CD LYS A 75 -4.514 -12.219 -65.626 1.00 0.00 C ATOM 930 CE LYS A 75 -4.426 -10.817 -65.044 1.00 0.00 C ATOM 931 NZ LYS A 75 -3.510 -9.944 -65.822 1.00 0.00 N ATOM 0 H LYS A 75 -2.336 -15.116 -63.845 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.993 -14.874 -65.072 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.191 -14.717 -66.243 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.679 -14.382 -67.106 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.666 -12.818 -64.699 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.496 -12.317 -66.370 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.941 -12.175 -66.628 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.185 -12.827 -65.020 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.420 -10.371 -65.023 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.081 -10.875 -64.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.608 -8.961 -65.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.529 -10.259 -65.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.751 -10.001 -66.832 1.00 0.00 H new ATOM 945 N CYS A 76 -3.875 -17.608 -64.797 1.00 0.00 N ATOM 946 CA CYS A 76 -3.971 -19.001 -65.151 1.00 0.00 C ATOM 947 C CYS A 76 -5.429 -19.440 -65.176 1.00 0.00 C ATOM 948 O CYS A 76 -6.310 -18.737 -64.676 1.00 0.00 O ATOM 949 CB CYS A 76 -3.186 -19.854 -64.163 1.00 0.00 C ATOM 950 SG CYS A 76 -1.413 -19.550 -64.172 1.00 0.00 S ATOM 0 H CYS A 76 -3.680 -17.435 -63.811 1.00 0.00 H new ATOM 0 HA CYS A 76 -3.546 -19.136 -66.146 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.569 -19.672 -63.159 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.364 -20.906 -64.387 1.00 0.00 H new ATOM 955 N ALA A 77 -5.678 -20.587 -65.758 1.00 0.00 N ATOM 956 CA ALA A 77 -7.016 -21.133 -65.824 1.00 0.00 C ATOM 957 C ALA A 77 -7.014 -22.528 -65.248 1.00 0.00 C ATOM 958 O ALA A 77 -5.945 -23.059 -64.941 1.00 0.00 O ATOM 959 CB ALA A 77 -7.526 -21.140 -67.259 1.00 0.00 C ATOM 0 H ALA A 77 -4.965 -21.168 -66.198 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.688 -20.506 -65.238 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.534 -21.555 -67.285 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.543 -20.120 -67.644 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.867 -21.750 -67.876 1.00 0.00 H new ATOM 965 N ALA A 78 -8.199 -23.127 -65.120 1.00 0.00 N ATOM 966 CA ALA A 78 -8.348 -24.473 -64.546 1.00 0.00 C ATOM 967 C ALA A 78 -7.382 -25.478 -65.180 1.00 0.00 C ATOM 968 O ALA A 78 -6.913 -26.403 -64.523 1.00 0.00 O ATOM 969 CB ALA A 78 -9.782 -24.948 -64.695 1.00 0.00 C ATOM 0 H ALA A 78 -9.079 -22.700 -65.408 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.098 -24.410 -63.487 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.881 -25.945 -64.267 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.449 -24.261 -64.174 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.047 -24.979 -65.752 1.00 0.00 H new ATOM 975 N GLY A 79 -7.095 -25.281 -66.450 1.00 0.00 N ATOM 976 CA GLY A 79 -6.165 -26.132 -67.146 1.00 0.00 C ATOM 977 C GLY A 79 -5.209 -25.323 -67.990 1.00 0.00 C ATOM 978 O GLY A 79 -5.079 -25.555 -69.193 1.00 0.00 O ATOM 0 H GLY A 79 -7.496 -24.535 -67.019 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.604 -26.727 -66.426 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.712 -26.831 -67.780 1.00 0.00 H new ATOM 982 N SER A 80 -4.557 -24.350 -67.368 1.00 0.00 N ATOM 983 CA SER A 80 -3.615 -23.493 -68.067 1.00 0.00 C ATOM 984 C SER A 80 -2.710 -22.754 -67.087 1.00 0.00 C ATOM 985 O SER A 80 -3.120 -21.766 -66.485 1.00 0.00 O ATOM 986 CB SER A 80 -4.368 -22.485 -68.945 1.00 0.00 C ATOM 987 OG SER A 80 -3.475 -21.593 -69.590 1.00 0.00 O ATOM 0 H SER A 80 -4.665 -24.136 -66.377 1.00 0.00 H new ATOM 0 HA SER A 80 -2.990 -24.125 -68.698 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.955 -23.019 -69.693 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.070 -21.920 -68.332 1.00 0.00 H new ATOM 0 HG SER A 80 -3.919 -21.188 -70.364 1.00 0.00 H new ATOM 993 N CYS A 81 -1.497 -23.252 -66.922 1.00 0.00 N ATOM 994 CA CYS A 81 -0.500 -22.627 -66.053 1.00 0.00 C ATOM 995 C CYS A 81 0.539 -21.873 -66.898 1.00 0.00 C ATOM 996 O CYS A 81 1.083 -22.425 -67.860 1.00 0.00 O ATOM 997 CB CYS A 81 0.187 -23.706 -65.198 1.00 0.00 C ATOM 998 SG CYS A 81 1.519 -23.103 -64.130 1.00 0.00 S ATOM 0 H CYS A 81 -1.170 -24.101 -67.384 1.00 0.00 H new ATOM 0 HA CYS A 81 -0.994 -21.913 -65.394 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.566 -24.189 -64.576 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.591 -24.471 -65.861 1.00 0.00 H new ATOM 1003 N LYS A 82 0.801 -20.611 -66.553 1.00 0.00 N ATOM 1004 CA LYS A 82 1.772 -19.801 -67.305 1.00 0.00 C ATOM 1005 C LYS A 82 3.088 -19.652 -66.564 1.00 0.00 C ATOM 1006 O LYS A 82 4.138 -20.045 -67.066 1.00 0.00 O ATOM 1007 CB LYS A 82 1.227 -18.404 -67.620 1.00 0.00 C ATOM 1008 CG LYS A 82 0.285 -18.334 -68.806 1.00 0.00 C ATOM 1009 CD LYS A 82 -1.079 -18.881 -68.478 1.00 0.00 C ATOM 1010 CE LYS A 82 -2.068 -18.554 -69.584 1.00 0.00 C ATOM 1011 NZ LYS A 82 -3.460 -18.898 -69.214 1.00 0.00 N ATOM 0 H LYS A 82 0.363 -20.129 -65.768 1.00 0.00 H new ATOM 0 HA LYS A 82 1.946 -20.340 -68.236 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.707 -18.027 -66.740 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.068 -17.736 -67.804 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.191 -17.299 -69.133 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.709 -18.894 -69.639 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.021 -19.961 -68.343 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.428 -18.460 -67.535 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.009 -17.491 -69.818 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.790 -19.096 -70.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.100 -18.641 -69.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.528 -19.920 -69.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.731 -18.375 -68.357 1.00 0.00 H new ATOM 1025 N CYS A 83 3.024 -19.079 -65.372 1.00 0.00 N ATOM 1026 CA CYS A 83 4.210 -18.800 -64.567 1.00 0.00 C ATOM 1027 C CYS A 83 4.977 -20.082 -64.227 1.00 0.00 C ATOM 1028 O CYS A 83 6.170 -20.042 -63.926 1.00 0.00 O ATOM 1029 CB CYS A 83 3.793 -18.085 -63.300 1.00 0.00 C ATOM 1030 SG CYS A 83 2.556 -18.985 -62.377 1.00 0.00 S ATOM 0 H CYS A 83 2.149 -18.793 -64.932 1.00 0.00 H new ATOM 0 HA CYS A 83 4.880 -18.166 -65.147 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.669 -17.929 -62.670 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.405 -17.099 -63.555 1.00 0.00 H new ATOM 1035 N GLY A 84 4.282 -21.208 -64.257 1.00 0.00 N ATOM 1036 CA GLY A 84 4.922 -22.479 -64.014 1.00 0.00 C ATOM 1037 C GLY A 84 5.080 -22.788 -62.545 1.00 0.00 C ATOM 1038 O GLY A 84 5.924 -23.593 -62.167 1.00 0.00 O ATOM 0 H GLY A 84 3.281 -21.262 -64.446 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.338 -23.270 -64.485 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.904 -22.482 -64.488 1.00 0.00 H new ATOM 1042 N LYS A 85 4.273 -22.156 -61.710 1.00 0.00 N ATOM 1043 CA LYS A 85 4.338 -22.404 -60.278 1.00 0.00 C ATOM 1044 C LYS A 85 3.351 -23.482 -59.870 1.00 0.00 C ATOM 1045 O LYS A 85 3.301 -23.890 -58.709 1.00 0.00 O ATOM 1046 CB LYS A 85 4.100 -21.121 -59.483 1.00 0.00 C ATOM 1047 CG LYS A 85 5.214 -20.097 -59.634 1.00 0.00 C ATOM 1048 CD LYS A 85 6.547 -20.637 -59.121 1.00 0.00 C ATOM 1049 CE LYS A 85 7.661 -19.619 -59.315 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.892 -19.311 -60.751 1.00 0.00 N ATOM 0 H LYS A 85 3.571 -21.473 -61.994 1.00 0.00 H new ATOM 0 HA LYS A 85 5.343 -22.758 -60.047 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.160 -20.673 -59.805 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.989 -21.372 -58.428 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.313 -19.818 -60.683 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.953 -19.191 -59.087 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.459 -20.887 -58.064 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.796 -21.558 -59.647 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.410 -18.701 -58.784 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.582 -20.001 -58.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.804 -18.823 -60.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.905 -20.195 -61.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.128 -18.699 -61.102 1.00 0.00 H new ATOM 1064 N GLY A 86 2.575 -23.945 -60.827 1.00 0.00 N ATOM 1065 CA GLY A 86 1.635 -25.001 -60.560 1.00 0.00 C ATOM 1066 C GLY A 86 0.351 -24.495 -59.954 1.00 0.00 C ATOM 1067 O GLY A 86 -0.182 -25.095 -59.017 1.00 0.00 O ATOM 0 H GLY A 86 2.579 -23.606 -61.789 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.412 -25.527 -61.488 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.090 -25.725 -59.885 1.00 0.00 H new ATOM 1071 N CYS A 87 -0.135 -23.389 -60.463 1.00 0.00 N ATOM 1072 CA CYS A 87 -1.387 -22.836 -60.016 1.00 0.00 C ATOM 1073 C CYS A 87 -2.318 -22.666 -61.203 1.00 0.00 C ATOM 1074 O CYS A 87 -1.939 -22.115 -62.227 1.00 0.00 O ATOM 1075 CB CYS A 87 -1.164 -21.508 -59.288 1.00 0.00 C ATOM 1076 SG CYS A 87 -0.116 -20.335 -60.171 1.00 0.00 S ATOM 0 H CYS A 87 0.325 -22.850 -61.196 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.850 -23.521 -59.306 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.132 -21.043 -59.103 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.718 -21.713 -58.315 1.00 0.00 H new ATOM 1081 N THR A 88 -3.518 -23.171 -61.079 1.00 0.00 N ATOM 1082 CA THR A 88 -4.470 -23.102 -62.155 1.00 0.00 C ATOM 1083 C THR A 88 -5.572 -22.093 -61.870 1.00 0.00 C ATOM 1084 O THR A 88 -6.740 -22.449 -61.713 1.00 0.00 O ATOM 1085 CB THR A 88 -5.068 -24.484 -62.451 1.00 0.00 C ATOM 1086 OG1 THR A 88 -5.470 -25.117 -61.218 1.00 0.00 O ATOM 1087 CG2 THR A 88 -4.045 -25.357 -63.176 1.00 0.00 C ATOM 0 H THR A 88 -3.860 -23.637 -60.238 1.00 0.00 H new ATOM 0 HA THR A 88 -3.931 -22.762 -63.040 1.00 0.00 H new ATOM 0 HB THR A 88 -5.941 -24.362 -63.092 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.853 -25.998 -61.412 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.481 -26.335 -63.380 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.762 -24.882 -64.115 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.161 -25.478 -62.550 1.00 0.00 H new ATOM 1095 N GLY A 89 -5.180 -20.839 -61.770 1.00 0.00 N ATOM 1096 CA GLY A 89 -6.131 -19.779 -61.542 1.00 0.00 C ATOM 1097 C GLY A 89 -5.878 -19.065 -60.236 1.00 0.00 C ATOM 1098 O GLY A 89 -5.113 -19.548 -59.414 1.00 0.00 O ATOM 0 H GLY A 89 -4.210 -20.533 -61.843 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.080 -19.063 -62.363 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.140 -20.191 -61.541 1.00 0.00 H new ATOM 1102 N PRO A 90 -6.508 -17.903 -60.018 1.00 0.00 N ATOM 1103 CA PRO A 90 -6.340 -17.117 -58.785 1.00 0.00 C ATOM 1104 C PRO A 90 -6.809 -17.858 -57.538 1.00 0.00 C ATOM 1105 O PRO A 90 -6.321 -17.600 -56.441 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.216 -15.890 -59.020 1.00 0.00 C ATOM 1107 CG PRO A 90 -8.185 -16.316 -60.063 1.00 0.00 C ATOM 1108 CD PRO A 90 -7.430 -17.248 -60.954 1.00 0.00 C ATOM 0 HA PRO A 90 -5.290 -16.889 -58.602 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.726 -15.586 -58.106 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.624 -15.038 -59.353 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.048 -16.812 -59.618 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.562 -15.459 -60.621 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.089 -17.965 -61.443 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.898 -16.715 -61.742 1.00 0.00 H new ATOM 1116 N ASP A 91 -7.751 -18.773 -57.708 1.00 0.00 N ATOM 1117 CA ASP A 91 -8.267 -19.539 -56.581 1.00 0.00 C ATOM 1118 C ASP A 91 -7.262 -20.601 -56.179 1.00 0.00 C ATOM 1119 O ASP A 91 -7.166 -20.981 -55.010 1.00 0.00 O ATOM 1120 CB ASP A 91 -9.608 -20.183 -56.936 1.00 0.00 C ATOM 1121 CG ASP A 91 -10.353 -20.692 -55.720 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -10.994 -19.872 -55.027 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -10.328 -21.912 -55.460 1.00 0.00 O ATOM 0 H ASP A 91 -8.172 -19.003 -58.608 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.426 -18.863 -55.741 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.229 -19.455 -57.459 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.438 -21.010 -57.625 1.00 0.00 H new ATOM 1128 N SER A 92 -6.499 -21.067 -57.159 1.00 0.00 N ATOM 1129 CA SER A 92 -5.470 -22.056 -56.925 1.00 0.00 C ATOM 1130 C SER A 92 -4.141 -21.381 -56.599 1.00 0.00 C ATOM 1131 O SER A 92 -3.286 -21.966 -55.933 1.00 0.00 O ATOM 1132 CB SER A 92 -5.316 -22.959 -58.147 1.00 0.00 C ATOM 1133 OG SER A 92 -6.547 -23.575 -58.484 1.00 0.00 O ATOM 0 H SER A 92 -6.580 -20.768 -58.131 1.00 0.00 H new ATOM 0 HA SER A 92 -5.767 -22.666 -56.072 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.955 -22.373 -58.993 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.566 -23.724 -57.946 1.00 0.00 H new ATOM 0 HG SER A 92 -6.449 -24.062 -59.329 1.00 0.00 H new ATOM 1139 N CYS A 93 -3.964 -20.152 -57.078 1.00 0.00 N ATOM 1140 CA CYS A 93 -2.749 -19.410 -56.805 1.00 0.00 C ATOM 1141 C CYS A 93 -2.711 -18.988 -55.363 1.00 0.00 C ATOM 1142 O CYS A 93 -3.394 -18.053 -54.949 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.605 -18.190 -57.706 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.120 -17.206 -57.351 1.00 0.00 S ATOM 0 H CYS A 93 -4.645 -19.657 -57.653 1.00 0.00 H new ATOM 0 HA CYS A 93 -1.911 -20.075 -57.015 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.576 -18.516 -58.746 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.486 -17.558 -57.594 1.00 0.00 H new ATOM 1149 N LYS A 94 -1.925 -19.691 -54.609 1.00 0.00 N ATOM 1150 CA LYS A 94 -1.778 -19.439 -53.207 1.00 0.00 C ATOM 1151 C LYS A 94 -0.327 -19.127 -52.923 1.00 0.00 C ATOM 1152 O LYS A 94 0.156 -19.258 -51.794 1.00 0.00 O ATOM 1153 CB LYS A 94 -2.259 -20.664 -52.438 1.00 0.00 C ATOM 1154 CG LYS A 94 -3.721 -20.989 -52.730 1.00 0.00 C ATOM 1155 CD LYS A 94 -4.043 -22.453 -52.509 1.00 0.00 C ATOM 1156 CE LYS A 94 -3.850 -22.858 -51.056 1.00 0.00 C ATOM 1157 NZ LYS A 94 -4.320 -24.242 -50.807 1.00 0.00 N ATOM 0 H LYS A 94 -1.359 -20.467 -54.953 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.377 -18.585 -52.890 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.639 -21.521 -52.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.133 -20.493 -51.369 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.360 -20.379 -52.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.951 -20.721 -53.761 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.073 -22.648 -52.807 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.405 -23.066 -53.146 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.795 -22.779 -50.793 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.392 -22.167 -50.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.173 -24.484 -49.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.332 -24.311 -51.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.785 -24.903 -51.405 1.00 0.00 H new ATOM 1171 N CYS A 95 0.355 -18.702 -53.974 1.00 0.00 N ATOM 1172 CA CYS A 95 1.750 -18.341 -53.917 1.00 0.00 C ATOM 1173 C CYS A 95 1.887 -16.882 -53.473 1.00 0.00 C ATOM 1174 O CYS A 95 0.896 -16.235 -53.130 1.00 0.00 O ATOM 1175 CB CYS A 95 2.376 -18.531 -55.305 1.00 0.00 C ATOM 1176 SG CYS A 95 1.954 -20.111 -56.100 1.00 0.00 S ATOM 0 H CYS A 95 -0.057 -18.599 -54.901 1.00 0.00 H new ATOM 0 HA CYS A 95 2.266 -18.977 -53.198 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.055 -17.714 -55.951 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.460 -18.460 -55.216 1.00 0.00 H new ATOM 1181 N ASP A 96 3.102 -16.371 -53.478 1.00 0.00 N ATOM 1182 CA ASP A 96 3.345 -14.994 -53.078 1.00 0.00 C ATOM 1183 C ASP A 96 3.490 -14.098 -54.306 1.00 0.00 C ATOM 1184 O ASP A 96 3.112 -14.480 -55.415 1.00 0.00 O ATOM 1185 CB ASP A 96 4.601 -14.896 -52.190 1.00 0.00 C ATOM 1186 CG ASP A 96 5.880 -15.253 -52.919 1.00 0.00 C ATOM 1187 OD1 ASP A 96 6.104 -16.455 -53.194 1.00 0.00 O ATOM 1188 OD2 ASP A 96 6.674 -14.336 -53.214 1.00 0.00 O ATOM 0 H ASP A 96 3.938 -16.886 -53.754 1.00 0.00 H new ATOM 0 HA ASP A 96 2.488 -14.652 -52.498 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.684 -13.881 -51.801 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.483 -15.558 -51.332 1.00 0.00 H new ATOM 1193 N ARG A 97 4.051 -12.919 -54.105 1.00 0.00 N ATOM 1194 CA ARG A 97 4.239 -11.941 -55.180 1.00 0.00 C ATOM 1195 C ARG A 97 5.453 -12.296 -56.060 1.00 0.00 C ATOM 1196 O ARG A 97 6.074 -11.423 -56.670 1.00 0.00 O ATOM 1197 CB ARG A 97 4.397 -10.534 -54.574 1.00 0.00 C ATOM 1198 CG ARG A 97 5.530 -10.418 -53.558 1.00 0.00 C ATOM 1199 CD ARG A 97 5.626 -9.012 -52.971 1.00 0.00 C ATOM 1200 NE ARG A 97 6.573 -8.955 -51.856 1.00 0.00 N ATOM 1201 CZ ARG A 97 7.212 -7.847 -51.464 1.00 0.00 C ATOM 1202 NH1 ARG A 97 7.016 -6.699 -52.104 1.00 0.00 N ATOM 1203 NH2 ARG A 97 8.043 -7.893 -50.432 1.00 0.00 N ATOM 0 H ARG A 97 4.391 -12.606 -53.196 1.00 0.00 H new ATOM 0 HA ARG A 97 3.359 -11.959 -55.822 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.571 -9.820 -55.379 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.461 -10.250 -54.093 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.372 -11.137 -52.754 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.475 -10.677 -54.036 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.936 -8.313 -53.748 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.642 -8.692 -52.629 1.00 0.00 H new ATOM 0 HE ARG A 97 6.758 -9.818 -51.344 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.376 -6.660 -52.897 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.505 -5.857 -51.802 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.194 -8.772 -49.938 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.531 -7.049 -50.132 1.00 0.00 H new ATOM 1217 N SER A 98 5.764 -13.579 -56.129 1.00 0.00 N ATOM 1218 CA SER A 98 6.865 -14.069 -56.940 1.00 0.00 C ATOM 1219 C SER A 98 6.383 -14.407 -58.356 1.00 0.00 C ATOM 1220 O SER A 98 7.187 -14.631 -59.268 1.00 0.00 O ATOM 1221 CB SER A 98 7.488 -15.301 -56.276 1.00 0.00 C ATOM 1222 OG SER A 98 6.488 -16.231 -55.880 1.00 0.00 O ATOM 0 H SER A 98 5.261 -14.309 -55.625 1.00 0.00 H new ATOM 0 HA SER A 98 7.621 -13.288 -57.018 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.180 -15.780 -56.968 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.069 -14.994 -55.406 1.00 0.00 H new ATOM 0 HG SER A 98 6.520 -16.351 -54.908 1.00 0.00 H new ATOM 1228 N CYS A 99 5.074 -14.441 -58.524 1.00 0.00 N ATOM 1229 CA CYS A 99 4.466 -14.740 -59.806 1.00 0.00 C ATOM 1230 C CYS A 99 4.448 -13.518 -60.720 1.00 0.00 C ATOM 1231 O CYS A 99 4.200 -12.398 -60.276 1.00 0.00 O ATOM 1232 CB CYS A 99 3.050 -15.267 -59.599 1.00 0.00 C ATOM 1233 SG CYS A 99 2.968 -17.027 -59.216 1.00 0.00 S ATOM 0 H CYS A 99 4.404 -14.262 -57.776 1.00 0.00 H new ATOM 0 HA CYS A 99 5.069 -15.506 -60.293 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.580 -14.708 -58.790 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.467 -15.075 -60.500 1.00 0.00 H new ATOM 1238 N SER A 100 4.705 -13.747 -61.999 1.00 0.00 N ATOM 1239 CA SER A 100 4.723 -12.675 -62.984 1.00 0.00 C ATOM 1240 C SER A 100 3.320 -12.412 -63.538 1.00 0.00 C ATOM 1241 O SER A 100 3.107 -11.464 -64.290 1.00 0.00 O ATOM 1242 CB SER A 100 5.691 -13.021 -64.117 1.00 0.00 C ATOM 1243 OG SER A 100 6.981 -13.328 -63.598 1.00 0.00 O ATOM 0 H SER A 100 4.905 -14.671 -62.381 1.00 0.00 H new ATOM 0 HA SER A 100 5.064 -11.764 -62.493 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.309 -13.871 -64.682 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.762 -12.183 -64.810 1.00 0.00 H new ATOM 0 HG SER A 100 7.587 -13.549 -64.336 1.00 0.00 H new ATOM 1249 N CYS A 101 2.372 -13.261 -63.162 1.00 0.00 N ATOM 1250 CA CYS A 101 0.981 -13.094 -63.576 1.00 0.00 C ATOM 1251 C CYS A 101 0.260 -12.135 -62.651 1.00 0.00 C ATOM 1252 O CYS A 101 -0.926 -11.862 -62.819 1.00 0.00 O ATOM 1253 CB CYS A 101 0.262 -14.435 -63.576 1.00 0.00 C ATOM 1254 SG CYS A 101 0.730 -15.519 -64.922 1.00 0.00 S ATOM 0 H CYS A 101 2.540 -14.074 -62.570 1.00 0.00 H new ATOM 0 HA CYS A 101 0.977 -12.684 -64.586 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.460 -14.941 -62.631 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.813 -14.258 -63.623 1.00 0.00 H new ATOM 1259 N LYS A 102 0.984 -11.630 -61.679 1.00 0.00 N ATOM 1260 CA LYS A 102 0.422 -10.732 -60.702 1.00 0.00 C ATOM 1261 C LYS A 102 0.360 -9.306 -61.237 1.00 0.00 C ATOM 1262 O LYS A 102 1.427 -8.634 -61.248 1.00 0.00 O ATOM 1263 CB LYS A 102 1.236 -10.787 -59.412 1.00 0.00 C ATOM 1264 CG LYS A 102 1.298 -12.174 -58.783 1.00 0.00 C ATOM 1265 CD LYS A 102 -0.092 -12.773 -58.638 1.00 0.00 C ATOM 1266 CE LYS A 102 -0.109 -13.907 -57.640 1.00 0.00 C ATOM 1267 NZ LYS A 102 -1.495 -14.335 -57.337 1.00 0.00 N ATOM 0 H LYS A 102 1.975 -11.830 -61.545 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.598 -11.051 -60.490 1.00 0.00 H new ATOM 0 HB2 LYS A 102 2.251 -10.446 -59.619 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.806 -10.091 -58.692 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.917 -12.828 -59.398 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.774 -12.112 -57.805 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.791 -11.999 -58.321 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.435 -13.135 -59.607 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.457 -14.751 -58.035 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.386 -13.593 -56.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.649 -14.311 -56.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.167 -13.692 -57.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.644 -15.303 -57.686 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 0.916 -18.660 -58.227 1.00 0.00 CD HETATM 1283 CD CD A 201 0.626 -20.971 -62.778 1.00 0.00 CD HETATM 1284 CD CD A 202 0.175 -17.570 -63.103 1.00 0.00 CD HETATM 1285 CD CD A 203 -2.656 -7.998 -45.446 1.00 0.00 CD HETATM 1286 CD CD A 204 -6.702 -8.418 -47.486 1.00 0.00 CD HETATM 1287 CD CD A 205 -4.194 -5.453 -48.663 1.00 0.00 CD HETATM 1288 CD CD A 206 -7.350 -3.365 -27.033 1.00 0.00 CD HETATM 1289 CD CD A 207 -9.131 -2.948 -31.079 1.00 0.00 CD HETATM 1290 CD CD A 208 -5.129 -2.932 -30.483 1.00 0.00 CD