USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 538 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 74 CYS SG : rot -75:sc= 1.28 USER MOD Set 1.2: A 76 CYS SG : rot 35:sc= 0.00498! USER MOD Set 1.3: A 83 CYS SG : rot -67:sc= 0.513 USER MOD Set 1.4: A 87 CYS SG : rot 110:sc= 1.09 USER MOD Set 1.5: A 93 CYS SG : rot 132:sc= -0.751 USER MOD Set 1.6: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 1.7: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 1.8: A 101 CYS SG : rot 136:sc= -0.666 USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0.0145 USER MOD Set 2.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 71 SER OG : rot -101:sc= -1.47! USER MOD Set 3.2: A 72 THR OG1 : rot -90:sc= 1.2 USER MOD Set 3.3: A 102 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD Set 4.1: A 47 CYS SG : rot -22:sc= 0.0716 USER MOD Set 4.2: A 52 CYS SG : rot -101:sc= -1.68 USER MOD Set 4.3: A 67 CYS SG : rot 180:sc= -0.488 USER MOD Set 4.4: A 69 SER OG : rot 100:sc= 0.00221 USER MOD Set 5.1: A 44 THR OG1 : rot -165:sc= 0.892 USER MOD Set 5.2: A 60 ASN : amide:sc= -0.97 K(o=-0.078,f=-0.7!) USER MOD Set 6.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 6.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 11 CYS SG : rot 180:sc= 0 USER MOD Set 7.2: A 20 CYS SG : rot -25:sc= -0.149 USER MOD Set 7.3: A 32 CYS SG : rot -162:sc= -0.147 USER MOD Set 7.4: A 37 CYS SG : rot 180:sc= -0.0647 USER MOD Set 8.1: A 12 THR OG1 : rot 180:sc= 0.137 USER MOD Set 8.2: A 14 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 15 CYS SG : rot -26:sc= 0.065 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.124 (180deg=-0.575) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.194 F(o=-1,f=-0.19) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 22 CYS SG : rot 38:sc= -1.82! USER MOD Single : A 24 SER OG : rot -38:sc= 0.481 USER MOD Single : A 26 CYS SG : rot -63:sc= -0.643 USER MOD Single : A 27 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.46) USER MOD Single : A 28 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.319 F(o=-2.2!,f=-0.32) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0617) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.169 (180deg=-0.658) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.54 F(o=-2.9!,f=-1.5) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.0938 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -81:sc= 0.00663 USER MOD Single : A 61 CYS SG : rot 12:sc= 0.181 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : 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= -0.136 X(o=-0.14,f=-0.47) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.034 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc= 0.939 (180deg=0.604) USER MOD Single : A 80 SER OG : rot 160:sc= -0.557 USER MOD Single : A 81 CYS SG : rot -17:sc= 0.392 USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= -0.0112 (180deg=-0.108) USER MOD Single : A 98 SER OG : rot 89:sc= 1.26 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -2.126 -2.609 -22.682 1.00 0.00 N ATOM 94 CA GLY A 8 -1.805 -2.082 -23.998 1.00 0.00 C ATOM 95 C GLY A 8 -0.842 -2.957 -24.791 1.00 0.00 C ATOM 96 O GLY A 8 -1.062 -3.221 -25.972 1.00 0.00 O ATOM 0 HA2 GLY A 8 -2.727 -1.964 -24.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.371 -1.089 -23.886 1.00 0.00 H new ATOM 100 N ALA A 9 0.200 -3.421 -24.137 1.00 0.00 N ATOM 101 CA ALA A 9 1.237 -4.213 -24.784 1.00 0.00 C ATOM 102 C ALA A 9 0.898 -5.695 -24.768 1.00 0.00 C ATOM 103 O ALA A 9 1.631 -6.516 -24.204 1.00 0.00 O ATOM 104 CB ALA A 9 2.588 -3.960 -24.131 1.00 0.00 C ATOM 0 H ALA A 9 0.357 -3.263 -23.142 1.00 0.00 H new ATOM 0 HA ALA A 9 1.293 -3.901 -25.827 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.350 -4.560 -24.628 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.843 -2.904 -24.220 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.540 -4.234 -23.077 1.00 0.00 H new ATOM 110 N GLY A 10 -0.223 -6.026 -25.361 1.00 0.00 N ATOM 111 CA GLY A 10 -0.639 -7.399 -25.466 1.00 0.00 C ATOM 112 C GLY A 10 -1.074 -7.713 -26.866 1.00 0.00 C ATOM 113 O GLY A 10 -2.182 -8.196 -27.089 1.00 0.00 O ATOM 0 H GLY A 10 -0.867 -5.355 -25.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.182 -8.056 -25.178 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.458 -7.590 -24.773 1.00 0.00 H new ATOM 117 N CYS A 11 -0.208 -7.418 -27.814 1.00 0.00 N ATOM 118 CA CYS A 11 -0.503 -7.627 -29.215 1.00 0.00 C ATOM 119 C CYS A 11 -0.430 -9.104 -29.581 1.00 0.00 C ATOM 120 O CYS A 11 -0.153 -9.961 -28.735 1.00 0.00 O ATOM 121 CB CYS A 11 0.462 -6.822 -30.082 1.00 0.00 C ATOM 122 SG CYS A 11 0.458 -5.048 -29.740 1.00 0.00 S ATOM 0 H CYS A 11 0.717 -7.028 -27.635 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.521 -7.284 -29.399 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.471 -7.207 -29.936 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.209 -6.979 -31.130 1.00 0.00 H new ATOM 0 HG CYS A 11 1.309 -4.453 -30.523 1.00 0.00 H new ATOM 127 N THR A 12 -0.669 -9.389 -30.832 1.00 0.00 N ATOM 128 CA THR A 12 -0.645 -10.738 -31.328 1.00 0.00 C ATOM 129 C THR A 12 0.668 -10.996 -32.038 1.00 0.00 C ATOM 130 O THR A 12 1.329 -10.054 -32.483 1.00 0.00 O ATOM 131 CB THR A 12 -1.843 -11.001 -32.294 1.00 0.00 C ATOM 132 OG1 THR A 12 -1.654 -12.219 -33.021 1.00 0.00 O ATOM 133 CG2 THR A 12 -2.027 -9.851 -33.274 1.00 0.00 C ATOM 0 H THR A 12 -0.887 -8.688 -31.540 1.00 0.00 H new ATOM 0 HA THR A 12 -0.739 -11.420 -30.483 1.00 0.00 H new ATOM 0 HB THR A 12 -2.740 -11.085 -31.680 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.417 -12.365 -33.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.869 -10.065 -33.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.222 -8.931 -32.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.122 -9.732 -33.870 1.00 0.00 H new ATOM 141 N ASP A 13 1.058 -12.259 -32.130 1.00 0.00 N ATOM 142 CA ASP A 13 2.272 -12.628 -32.841 1.00 0.00 C ATOM 143 C ASP A 13 2.173 -12.154 -34.277 1.00 0.00 C ATOM 144 O ASP A 13 3.158 -11.755 -34.879 1.00 0.00 O ATOM 145 CB ASP A 13 2.476 -14.145 -32.801 1.00 0.00 C ATOM 146 CG ASP A 13 3.748 -14.585 -33.497 1.00 0.00 C ATOM 147 OD1 ASP A 13 4.825 -14.530 -32.868 1.00 0.00 O ATOM 148 OD2 ASP A 13 3.678 -14.996 -34.673 1.00 0.00 O ATOM 0 H ASP A 13 0.552 -13.044 -31.721 1.00 0.00 H new ATOM 0 HA ASP A 13 3.127 -12.155 -32.358 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.502 -14.476 -31.763 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.623 -14.634 -33.270 1.00 0.00 H new ATOM 153 N THR A 14 0.945 -12.141 -34.784 1.00 0.00 N ATOM 154 CA THR A 14 0.641 -11.719 -36.142 1.00 0.00 C ATOM 155 C THR A 14 0.977 -10.228 -36.369 1.00 0.00 C ATOM 156 O THR A 14 0.999 -9.744 -37.502 1.00 0.00 O ATOM 157 CB THR A 14 -0.849 -11.971 -36.437 1.00 0.00 C ATOM 158 OG1 THR A 14 -1.237 -13.224 -35.848 1.00 0.00 O ATOM 159 CG2 THR A 14 -1.105 -12.031 -37.931 1.00 0.00 C ATOM 0 H THR A 14 0.122 -12.428 -34.253 1.00 0.00 H new ATOM 0 HA THR A 14 1.260 -12.303 -36.823 1.00 0.00 H new ATOM 0 HB THR A 14 -1.430 -11.151 -36.016 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.185 -13.391 -36.030 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.165 -12.210 -38.112 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.814 -11.086 -38.388 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.521 -12.841 -38.368 1.00 0.00 H new ATOM 167 N CYS A 15 1.250 -9.523 -35.290 1.00 0.00 N ATOM 168 CA CYS A 15 1.613 -8.117 -35.355 1.00 0.00 C ATOM 169 C CYS A 15 3.129 -7.978 -35.453 1.00 0.00 C ATOM 170 O CYS A 15 3.658 -6.935 -35.823 1.00 0.00 O ATOM 171 CB CYS A 15 1.102 -7.410 -34.103 1.00 0.00 C ATOM 172 SG CYS A 15 1.458 -5.636 -34.028 1.00 0.00 S ATOM 0 H CYS A 15 1.227 -9.905 -34.344 1.00 0.00 H new ATOM 0 HA CYS A 15 1.162 -7.662 -36.237 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.023 -7.552 -34.038 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.540 -7.891 -33.228 1.00 0.00 H new ATOM 0 HG CYS A 15 2.521 -5.377 -34.730 1.00 0.00 H new ATOM 177 N LYS A 16 3.821 -9.052 -35.143 1.00 0.00 N ATOM 178 CA LYS A 16 5.273 -9.070 -35.150 1.00 0.00 C ATOM 179 C LYS A 16 5.783 -9.542 -36.502 1.00 0.00 C ATOM 180 O LYS A 16 6.893 -10.060 -36.623 1.00 0.00 O ATOM 181 CB LYS A 16 5.763 -9.992 -34.041 1.00 0.00 C ATOM 182 CG LYS A 16 5.160 -9.661 -32.686 1.00 0.00 C ATOM 183 CD LYS A 16 5.514 -10.694 -31.634 1.00 0.00 C ATOM 184 CE LYS A 16 6.986 -10.629 -31.246 1.00 0.00 C ATOM 185 NZ LYS A 16 7.386 -9.270 -30.808 1.00 0.00 N ATOM 0 H LYS A 16 3.395 -9.940 -34.878 1.00 0.00 H new ATOM 0 HA LYS A 16 5.655 -8.064 -34.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.520 -11.023 -34.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.849 -9.927 -33.975 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.512 -8.681 -32.363 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.076 -9.596 -32.779 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.898 -10.536 -30.749 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.282 -11.690 -32.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.181 -11.340 -30.444 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.598 -10.931 -32.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.277 -9.325 -30.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.518 -8.662 -31.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.644 -8.869 -30.200 1.00 0.00 H new ATOM 199 N GLN A 17 4.958 -9.356 -37.512 1.00 0.00 N ATOM 200 CA GLN A 17 5.287 -9.770 -38.870 1.00 0.00 C ATOM 201 C GLN A 17 5.790 -8.582 -39.659 1.00 0.00 C ATOM 202 O GLN A 17 5.711 -7.444 -39.196 1.00 0.00 O ATOM 203 CB GLN A 17 4.051 -10.317 -39.577 1.00 0.00 C ATOM 204 CG GLN A 17 3.193 -11.246 -38.744 1.00 0.00 C ATOM 205 CD GLN A 17 3.927 -12.465 -38.275 1.00 0.00 C ATOM 206 OE1 GLN A 17 4.473 -12.416 -37.093 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 3.987 -13.470 -38.982 1.00 0.00 N flip ATOM 0 H GLN A 17 4.043 -8.916 -37.420 1.00 0.00 H new ATOM 0 HA GLN A 17 6.052 -10.544 -38.812 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.438 -9.478 -39.905 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.370 -10.848 -40.474 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.815 -10.702 -37.878 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.327 -11.554 -39.330 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.548 -13.473 -39.903 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.476 -14.300 -38.648 1.00 0.00 H new ATOM 216 N THR A 18 6.301 -8.842 -40.846 1.00 0.00 N ATOM 217 CA THR A 18 6.747 -7.790 -41.722 1.00 0.00 C ATOM 218 C THR A 18 6.598 -8.210 -43.193 1.00 0.00 C ATOM 219 O THR A 18 7.388 -9.011 -43.704 1.00 0.00 O ATOM 220 CB THR A 18 8.204 -7.399 -41.455 1.00 0.00 C ATOM 221 OG1 THR A 18 8.616 -7.872 -40.161 1.00 0.00 O ATOM 222 CG2 THR A 18 8.341 -5.898 -41.495 1.00 0.00 C ATOM 0 H THR A 18 6.416 -9.783 -41.223 1.00 0.00 H new ATOM 0 HA THR A 18 6.117 -6.924 -41.520 1.00 0.00 H new ATOM 0 HB THR A 18 8.833 -7.850 -42.222 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.549 -7.618 -40.002 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.378 -5.622 -41.305 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.042 -5.531 -42.477 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.702 -5.454 -40.732 1.00 0.00 H new ATOM 230 N PRO A 19 5.574 -7.684 -43.891 1.00 0.00 N ATOM 231 CA PRO A 19 4.603 -6.741 -43.300 1.00 0.00 C ATOM 232 C PRO A 19 3.626 -7.433 -42.322 1.00 0.00 C ATOM 233 O PRO A 19 3.536 -8.663 -42.300 1.00 0.00 O ATOM 234 CB PRO A 19 3.849 -6.206 -44.522 1.00 0.00 C ATOM 235 CG PRO A 19 3.954 -7.293 -45.545 1.00 0.00 C ATOM 236 CD PRO A 19 5.287 -7.962 -45.324 1.00 0.00 C ATOM 0 HA PRO A 19 5.092 -5.968 -42.707 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.808 -5.990 -44.281 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.292 -5.278 -44.884 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.138 -8.008 -45.436 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.887 -6.884 -46.553 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.238 -9.032 -45.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.057 -7.550 -45.976 1.00 0.00 H new ATOM 244 N CYS A 20 2.915 -6.629 -41.502 1.00 0.00 N ATOM 245 CA CYS A 20 1.945 -7.160 -40.532 1.00 0.00 C ATOM 246 C CYS A 20 0.958 -8.109 -41.196 1.00 0.00 C ATOM 247 O CYS A 20 0.352 -7.781 -42.221 1.00 0.00 O ATOM 248 CB CYS A 20 1.175 -6.025 -39.835 1.00 0.00 C ATOM 249 SG CYS A 20 1.857 -5.498 -38.234 1.00 0.00 S ATOM 0 H CYS A 20 2.998 -5.612 -41.496 1.00 0.00 H new ATOM 0 HA CYS A 20 2.514 -7.712 -39.785 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.147 -5.163 -40.502 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.144 -6.345 -39.685 1.00 0.00 H new ATOM 0 HG CYS A 20 2.530 -6.477 -37.706 1.00 0.00 H new ATOM 254 N GLY A 21 0.777 -9.273 -40.594 1.00 0.00 N ATOM 255 CA GLY A 21 -0.123 -10.258 -41.149 1.00 0.00 C ATOM 256 C GLY A 21 -1.528 -10.072 -40.642 1.00 0.00 C ATOM 257 O GLY A 21 -2.415 -10.879 -40.918 1.00 0.00 O ATOM 0 H GLY A 21 1.239 -9.553 -39.729 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.116 -10.187 -42.237 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.228 -11.258 -40.893 1.00 0.00 H new ATOM 261 N CYS A 22 -1.734 -8.989 -39.911 1.00 0.00 N ATOM 262 CA CYS A 22 -3.023 -8.677 -39.320 1.00 0.00 C ATOM 263 C CYS A 22 -4.045 -8.230 -40.368 1.00 0.00 C ATOM 264 O CYS A 22 -5.143 -7.793 -40.027 1.00 0.00 O ATOM 265 CB CYS A 22 -2.857 -7.604 -38.260 1.00 0.00 C ATOM 266 SG CYS A 22 -1.633 -8.016 -36.992 1.00 0.00 S ATOM 0 H CYS A 22 -1.009 -8.300 -39.711 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.406 -9.589 -38.863 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.567 -6.671 -38.743 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.820 -7.428 -37.780 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.633 -8.640 -37.541 1.00 0.00 H new ATOM 271 N GLY A 23 -3.690 -8.368 -41.643 1.00 0.00 N ATOM 272 CA GLY A 23 -4.607 -8.026 -42.716 1.00 0.00 C ATOM 273 C GLY A 23 -5.776 -8.989 -42.773 1.00 0.00 C ATOM 274 O GLY A 23 -6.723 -8.791 -43.522 1.00 0.00 O ATOM 0 H GLY A 23 -2.781 -8.712 -41.952 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.977 -7.011 -42.571 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.076 -8.039 -43.668 1.00 0.00 H new ATOM 278 N SER A 24 -5.691 -10.041 -41.978 1.00 0.00 N ATOM 279 CA SER A 24 -6.743 -11.022 -41.885 1.00 0.00 C ATOM 280 C SER A 24 -7.519 -10.833 -40.572 1.00 0.00 C ATOM 281 O SER A 24 -8.384 -11.640 -40.225 1.00 0.00 O ATOM 282 CB SER A 24 -6.144 -12.433 -41.960 1.00 0.00 C ATOM 283 OG SER A 24 -7.156 -13.420 -42.030 1.00 0.00 O ATOM 0 H SER A 24 -4.887 -10.234 -41.380 1.00 0.00 H new ATOM 0 HA SER A 24 -7.434 -10.892 -42.718 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.498 -12.510 -42.834 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.519 -12.612 -41.085 1.00 0.00 H new ATOM 0 HG SER A 24 -7.905 -13.162 -41.453 1.00 0.00 H new ATOM 289 N GLY A 25 -7.200 -9.758 -39.855 1.00 0.00 N ATOM 290 CA GLY A 25 -7.862 -9.476 -38.598 1.00 0.00 C ATOM 291 C GLY A 25 -6.969 -9.752 -37.404 1.00 0.00 C ATOM 292 O GLY A 25 -6.616 -10.903 -37.140 1.00 0.00 O ATOM 0 H GLY A 25 -6.491 -9.076 -40.126 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.176 -8.432 -38.581 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.765 -10.082 -38.521 1.00 0.00 H new ATOM 296 N CYS A 26 -6.583 -8.702 -36.697 1.00 0.00 N ATOM 297 CA CYS A 26 -5.746 -8.843 -35.516 1.00 0.00 C ATOM 298 C CYS A 26 -6.576 -8.843 -34.246 1.00 0.00 C ATOM 299 O CYS A 26 -7.796 -8.698 -34.285 1.00 0.00 O ATOM 300 CB CYS A 26 -4.722 -7.730 -35.453 1.00 0.00 C ATOM 301 SG CYS A 26 -5.335 -6.130 -36.013 1.00 0.00 S ATOM 0 H CYS A 26 -6.837 -7.740 -36.921 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.232 -9.801 -35.593 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.370 -7.633 -34.426 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.861 -8.009 -36.060 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.660 -6.205 -37.269 1.00 0.00 H new ATOM 306 N ASN A 27 -5.902 -8.991 -33.121 1.00 0.00 N ATOM 307 CA ASN A 27 -6.552 -9.007 -31.821 1.00 0.00 C ATOM 308 C ASN A 27 -5.697 -8.217 -30.830 1.00 0.00 C ATOM 309 O ASN A 27 -5.548 -8.580 -29.668 1.00 0.00 O ATOM 310 CB ASN A 27 -6.742 -10.468 -31.358 1.00 0.00 C ATOM 311 CG ASN A 27 -7.642 -10.610 -30.133 1.00 0.00 C ATOM 312 OD1 ASN A 27 -7.168 -10.674 -28.997 1.00 0.00 O ATOM 313 ND2 ASN A 27 -8.944 -10.661 -30.356 1.00 0.00 N ATOM 0 H ASN A 27 -4.889 -9.104 -33.081 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.536 -8.541 -31.881 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.165 -11.048 -32.178 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.766 -10.899 -31.133 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.592 -10.756 -29.574 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.301 -10.605 -31.310 1.00 0.00 H new ATOM 320 N CYS A 28 -5.133 -7.125 -31.316 1.00 0.00 N ATOM 321 CA CYS A 28 -4.268 -6.287 -30.507 1.00 0.00 C ATOM 322 C CYS A 28 -5.066 -5.403 -29.561 1.00 0.00 C ATOM 323 O CYS A 28 -6.300 -5.382 -29.596 1.00 0.00 O ATOM 324 CB CYS A 28 -3.382 -5.437 -31.400 1.00 0.00 C ATOM 325 SG CYS A 28 -2.470 -6.396 -32.614 1.00 0.00 S ATOM 0 H CYS A 28 -5.260 -6.797 -32.273 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.644 -6.942 -29.899 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.998 -4.701 -31.917 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.677 -4.884 -30.780 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.741 -5.599 -33.337 1.00 0.00 H new ATOM 330 N LYS A 29 -4.355 -4.668 -28.732 1.00 0.00 N ATOM 331 CA LYS A 29 -4.973 -3.815 -27.738 1.00 0.00 C ATOM 332 C LYS A 29 -5.058 -2.366 -28.244 1.00 0.00 C ATOM 333 O LYS A 29 -4.546 -2.049 -29.316 1.00 0.00 O ATOM 334 CB LYS A 29 -4.170 -3.895 -26.439 1.00 0.00 C ATOM 335 CG LYS A 29 -3.882 -5.333 -25.975 1.00 0.00 C ATOM 336 CD LYS A 29 -5.162 -6.103 -25.644 1.00 0.00 C ATOM 337 CE LYS A 29 -5.879 -5.464 -24.467 1.00 0.00 C ATOM 338 NZ LYS A 29 -7.170 -6.124 -24.170 1.00 0.00 N ATOM 0 H LYS A 29 -3.335 -4.645 -28.728 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.991 -4.157 -27.549 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.224 -3.371 -26.575 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.715 -3.372 -25.653 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.334 -5.861 -26.755 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.239 -5.307 -25.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.819 -6.118 -26.513 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.919 -7.140 -25.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.239 -5.510 -23.586 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.053 -4.409 -24.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.622 -5.654 -23.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.793 -6.058 -25.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.004 -7.125 -23.941 1.00 0.00 H new ATOM 352 N GLU A 30 -5.694 -1.492 -27.461 1.00 0.00 N ATOM 353 CA GLU A 30 -5.888 -0.085 -27.858 1.00 0.00 C ATOM 354 C GLU A 30 -4.581 0.703 -27.890 1.00 0.00 C ATOM 355 O GLU A 30 -4.516 1.781 -28.473 1.00 0.00 O ATOM 356 CB GLU A 30 -6.877 0.613 -26.928 1.00 0.00 C ATOM 357 CG GLU A 30 -6.457 0.628 -25.467 1.00 0.00 C ATOM 358 CD GLU A 30 -7.356 1.503 -24.625 1.00 0.00 C ATOM 359 OE1 GLU A 30 -6.889 2.553 -24.148 1.00 0.00 O ATOM 360 OE2 GLU A 30 -8.537 1.151 -24.459 1.00 0.00 O ATOM 0 H GLU A 30 -6.085 -1.728 -26.549 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.290 -0.108 -28.871 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.012 1.640 -27.266 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.846 0.120 -27.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.472 -0.389 -25.076 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.430 0.984 -25.389 1.00 0.00 H new ATOM 367 N ASP A 31 -3.554 0.183 -27.255 1.00 0.00 N ATOM 368 CA ASP A 31 -2.269 0.864 -27.235 1.00 0.00 C ATOM 369 C ASP A 31 -1.325 0.193 -28.221 1.00 0.00 C ATOM 370 O ASP A 31 -0.115 0.139 -28.013 1.00 0.00 O ATOM 371 CB ASP A 31 -1.672 0.856 -25.823 1.00 0.00 C ATOM 372 CG ASP A 31 -0.690 2.001 -25.581 1.00 0.00 C ATOM 373 OD1 ASP A 31 -0.334 2.239 -24.405 1.00 0.00 O ATOM 374 OD2 ASP A 31 -0.289 2.683 -26.551 1.00 0.00 O ATOM 0 H ASP A 31 -3.578 -0.702 -26.748 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.413 1.904 -27.529 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.479 0.917 -25.093 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.163 -0.093 -25.656 1.00 0.00 H new ATOM 379 N CYS A 32 -1.901 -0.326 -29.299 1.00 0.00 N ATOM 380 CA CYS A 32 -1.129 -0.971 -30.350 1.00 0.00 C ATOM 381 C CYS A 32 -0.150 0.028 -30.959 1.00 0.00 C ATOM 382 O CYS A 32 1.053 -0.239 -31.045 1.00 0.00 O ATOM 383 CB CYS A 32 -2.068 -1.527 -31.428 1.00 0.00 C ATOM 384 SG CYS A 32 -1.235 -2.364 -32.794 1.00 0.00 S ATOM 0 H CYS A 32 -2.907 -0.311 -29.467 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.565 -1.800 -29.922 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.762 -2.225 -30.961 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.663 -0.707 -31.831 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.044 -2.450 -33.808 1.00 0.00 H new ATOM 389 N ARG A 33 -0.683 1.189 -31.369 1.00 0.00 N ATOM 390 CA ARG A 33 0.115 2.285 -31.923 1.00 0.00 C ATOM 391 C ARG A 33 0.867 1.845 -33.172 1.00 0.00 C ATOM 392 O ARG A 33 1.925 2.387 -33.498 1.00 0.00 O ATOM 393 CB ARG A 33 1.109 2.785 -30.878 1.00 0.00 C ATOM 394 CG ARG A 33 1.506 4.241 -31.040 1.00 0.00 C ATOM 395 CD ARG A 33 0.383 5.148 -30.596 1.00 0.00 C ATOM 396 NE ARG A 33 -0.046 4.821 -29.222 1.00 0.00 N ATOM 397 CZ ARG A 33 -0.616 5.675 -28.375 1.00 0.00 C ATOM 398 NH1 ARG A 33 -0.849 6.925 -28.743 1.00 0.00 N ATOM 399 NH2 ARG A 33 -0.948 5.270 -27.154 1.00 0.00 N ATOM 0 H ARG A 33 -1.682 1.391 -31.324 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.566 3.090 -32.198 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.677 2.646 -29.887 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.007 2.169 -30.923 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.401 4.447 -30.454 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.754 4.443 -32.082 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.710 6.187 -30.642 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.461 5.049 -31.278 1.00 0.00 H new ATOM 0 HE ARG A 33 0.106 3.866 -28.896 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.592 7.237 -29.679 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.286 7.576 -28.090 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.766 4.308 -26.869 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.385 5.921 -26.502 1.00 0.00 H new ATOM 413 N CYS A 34 0.327 0.878 -33.870 1.00 0.00 N ATOM 414 CA CYS A 34 0.968 0.382 -35.051 1.00 0.00 C ATOM 415 C CYS A 34 0.178 0.768 -36.278 1.00 0.00 C ATOM 416 O CYS A 34 -0.936 0.306 -36.473 1.00 0.00 O ATOM 417 CB CYS A 34 1.112 -1.121 -34.981 1.00 0.00 C ATOM 418 SG CYS A 34 2.523 -1.743 -35.892 1.00 0.00 S ATOM 0 H CYS A 34 -0.555 0.422 -33.637 1.00 0.00 H new ATOM 0 HA CYS A 34 1.961 0.827 -35.117 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.201 -1.422 -33.937 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.205 -1.584 -35.370 1.00 0.00 H new ATOM 0 HG CYS A 34 2.576 -3.037 -35.780 1.00 0.00 H new ATOM 423 N GLN A 35 0.760 1.610 -37.105 1.00 0.00 N ATOM 424 CA GLN A 35 0.104 2.069 -38.322 1.00 0.00 C ATOM 425 C GLN A 35 -0.048 0.940 -39.329 1.00 0.00 C ATOM 426 O GLN A 35 -0.775 1.070 -40.314 1.00 0.00 O ATOM 427 CB GLN A 35 0.877 3.224 -38.939 1.00 0.00 C ATOM 428 CG GLN A 35 0.822 4.501 -38.127 1.00 0.00 C ATOM 429 CD GLN A 35 -0.598 4.963 -37.887 1.00 0.00 C ATOM 430 OE1 GLN A 35 -1.157 4.606 -36.759 1.00 0.00 O flip ATOM 431 NE2 GLN A 35 -1.177 5.659 -38.712 1.00 0.00 N flip ATOM 0 H GLN A 35 1.693 1.996 -36.960 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.894 2.415 -38.052 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.919 2.927 -39.061 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.483 3.421 -39.936 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.318 4.343 -37.169 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.375 5.284 -38.646 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.708 5.917 -39.580 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.128 5.981 -38.531 1.00 0.00 H new ATOM 440 N SER A 36 0.636 -0.161 -39.070 1.00 0.00 N ATOM 441 CA SER A 36 0.575 -1.325 -39.928 1.00 0.00 C ATOM 442 C SER A 36 -0.825 -1.954 -39.910 1.00 0.00 C ATOM 443 O SER A 36 -1.310 -2.437 -40.940 1.00 0.00 O ATOM 444 CB SER A 36 1.622 -2.345 -39.494 1.00 0.00 C ATOM 445 OG SER A 36 2.928 -1.788 -39.544 1.00 0.00 O ATOM 0 H SER A 36 1.247 -0.270 -38.261 1.00 0.00 H new ATOM 0 HA SER A 36 0.786 -1.010 -40.950 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.406 -2.684 -38.481 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.571 -3.221 -40.141 1.00 0.00 H new ATOM 0 HG SER A 36 3.582 -2.461 -39.260 1.00 0.00 H new ATOM 451 N CYS A 37 -1.465 -1.938 -38.745 1.00 0.00 N ATOM 452 CA CYS A 37 -2.801 -2.501 -38.603 1.00 0.00 C ATOM 453 C CYS A 37 -3.807 -1.452 -38.098 1.00 0.00 C ATOM 454 O CYS A 37 -4.972 -1.763 -37.832 1.00 0.00 O ATOM 455 CB CYS A 37 -2.764 -3.730 -37.678 1.00 0.00 C ATOM 456 SG CYS A 37 -1.676 -3.559 -36.235 1.00 0.00 S ATOM 0 H CYS A 37 -1.080 -1.542 -37.888 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.141 -2.820 -39.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.776 -3.937 -37.331 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.443 -4.595 -38.258 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.722 -4.647 -35.525 1.00 0.00 H new ATOM 461 N LYS A 38 -3.367 -0.201 -38.021 1.00 0.00 N ATOM 462 CA LYS A 38 -4.216 0.876 -37.537 1.00 0.00 C ATOM 463 C LYS A 38 -4.489 1.867 -38.650 1.00 0.00 C ATOM 464 O LYS A 38 -4.171 3.054 -38.541 1.00 0.00 O ATOM 465 CB LYS A 38 -3.591 1.599 -36.343 1.00 0.00 C ATOM 466 CG LYS A 38 -4.601 2.422 -35.560 1.00 0.00 C ATOM 467 CD LYS A 38 -4.044 3.768 -35.148 1.00 0.00 C ATOM 468 CE LYS A 38 -3.037 3.643 -34.016 1.00 0.00 C ATOM 469 NZ LYS A 38 -2.633 4.970 -33.492 1.00 0.00 N ATOM 0 H LYS A 38 -2.427 0.090 -38.288 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.154 0.430 -37.206 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.133 0.866 -35.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.793 2.252 -36.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.495 2.570 -36.166 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.907 1.870 -34.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.568 4.242 -36.006 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.861 4.419 -34.837 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.468 3.049 -33.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.156 3.108 -34.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.706 4.892 -33.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.570 5.649 -34.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.339 5.301 -32.804 1.00 0.00 H new ATOM 528 N CYS A 43 -9.048 3.429 -44.172 1.00 0.00 N ATOM 529 CA CYS A 43 -9.990 2.563 -44.850 1.00 0.00 C ATOM 530 C CYS A 43 -11.403 2.839 -44.385 1.00 0.00 C ATOM 531 O CYS A 43 -11.629 3.684 -43.518 1.00 0.00 O ATOM 532 CB CYS A 43 -9.641 1.103 -44.619 1.00 0.00 C ATOM 533 SG CYS A 43 -8.442 0.453 -45.784 1.00 0.00 S ATOM 0 HA CYS A 43 -9.928 2.771 -45.918 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.251 0.988 -43.608 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.552 0.507 -44.679 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.203 -0.795 -45.510 1.00 0.00 H new ATOM 538 N THR A 44 -12.348 2.134 -44.960 1.00 0.00 N ATOM 539 CA THR A 44 -13.729 2.279 -44.592 1.00 0.00 C ATOM 540 C THR A 44 -14.081 1.254 -43.527 1.00 0.00 C ATOM 541 O THR A 44 -13.386 0.246 -43.379 1.00 0.00 O ATOM 542 CB THR A 44 -14.641 2.084 -45.815 1.00 0.00 C ATOM 543 OG1 THR A 44 -14.378 0.810 -46.416 1.00 0.00 O ATOM 544 CG2 THR A 44 -14.401 3.183 -46.839 1.00 0.00 C ATOM 0 H THR A 44 -12.178 1.446 -45.694 1.00 0.00 H new ATOM 0 HA THR A 44 -13.881 3.285 -44.201 1.00 0.00 H new ATOM 0 HB THR A 44 -15.679 2.128 -45.485 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.767 0.786 -47.315 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.055 3.029 -47.698 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.615 4.153 -46.389 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.361 3.156 -47.165 1.00 0.00 H new ATOM 552 N ASP A 45 -15.142 1.502 -42.783 1.00 0.00 N ATOM 553 CA ASP A 45 -15.557 0.572 -41.742 1.00 0.00 C ATOM 554 C ASP A 45 -16.202 -0.672 -42.340 1.00 0.00 C ATOM 555 O ASP A 45 -16.336 -1.691 -41.672 1.00 0.00 O ATOM 556 CB ASP A 45 -16.485 1.242 -40.727 1.00 0.00 C ATOM 557 CG ASP A 45 -15.744 2.198 -39.812 1.00 0.00 C ATOM 558 OD1 ASP A 45 -15.176 1.737 -38.797 1.00 0.00 O ATOM 559 OD2 ASP A 45 -15.710 3.408 -40.110 1.00 0.00 O ATOM 0 H ASP A 45 -15.730 2.331 -42.876 1.00 0.00 H new ATOM 0 HA ASP A 45 -14.660 0.259 -41.208 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -17.268 1.784 -41.257 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.977 0.476 -40.127 1.00 0.00 H new ATOM 564 N VAL A 46 -16.581 -0.584 -43.613 1.00 0.00 N ATOM 565 CA VAL A 46 -17.142 -1.728 -44.331 1.00 0.00 C ATOM 566 C VAL A 46 -16.058 -2.783 -44.519 1.00 0.00 C ATOM 567 O VAL A 46 -16.320 -3.989 -44.507 1.00 0.00 O ATOM 568 CB VAL A 46 -17.701 -1.311 -45.718 1.00 0.00 C ATOM 569 CG1 VAL A 46 -18.320 -2.501 -46.442 1.00 0.00 C ATOM 570 CG2 VAL A 46 -18.717 -0.195 -45.565 1.00 0.00 C ATOM 0 H VAL A 46 -16.510 0.268 -44.170 1.00 0.00 H new ATOM 0 HA VAL A 46 -17.966 -2.130 -43.741 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.869 -0.947 -46.321 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.703 -2.179 -47.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.563 -3.271 -46.589 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.137 -2.905 -45.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -19.099 0.086 -46.546 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.541 -0.537 -44.939 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.242 0.669 -45.100 1.00 0.00 H new ATOM 580 N CYS A 47 -14.839 -2.308 -44.666 1.00 0.00 N ATOM 581 CA CYS A 47 -13.686 -3.168 -44.815 1.00 0.00 C ATOM 582 C CYS A 47 -13.286 -3.756 -43.455 1.00 0.00 C ATOM 583 O CYS A 47 -12.613 -4.775 -43.371 1.00 0.00 O ATOM 584 CB CYS A 47 -12.531 -2.360 -45.412 1.00 0.00 C ATOM 585 SG CYS A 47 -11.010 -3.288 -45.654 1.00 0.00 S ATOM 0 H CYS A 47 -14.620 -1.312 -44.685 1.00 0.00 H new ATOM 0 HA CYS A 47 -13.929 -3.993 -45.484 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -12.849 -1.953 -46.372 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.323 -1.512 -44.759 1.00 0.00 H new ATOM 0 HG CYS A 47 -11.003 -4.323 -44.867 1.00 0.00 H new ATOM 590 N LYS A 48 -13.745 -3.116 -42.388 1.00 0.00 N ATOM 591 CA LYS A 48 -13.415 -3.547 -41.038 1.00 0.00 C ATOM 592 C LYS A 48 -14.492 -4.492 -40.492 1.00 0.00 C ATOM 593 O LYS A 48 -14.549 -4.756 -39.289 1.00 0.00 O ATOM 594 CB LYS A 48 -13.281 -2.334 -40.114 1.00 0.00 C ATOM 595 CG LYS A 48 -12.458 -1.186 -40.689 1.00 0.00 C ATOM 596 CD LYS A 48 -10.998 -1.564 -40.931 1.00 0.00 C ATOM 597 CE LYS A 48 -10.204 -0.363 -41.400 1.00 0.00 C ATOM 598 NZ LYS A 48 -10.269 0.750 -40.418 1.00 0.00 N ATOM 0 H LYS A 48 -14.348 -2.295 -42.432 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.465 -4.080 -41.074 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.278 -1.964 -39.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.826 -2.656 -39.177 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.904 -0.861 -41.629 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.500 -0.338 -40.006 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.562 -1.958 -40.013 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.941 -2.357 -41.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.165 -0.651 -41.556 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.589 -0.024 -42.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.458 1.385 -40.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.153 1.281 -40.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.242 0.363 -39.453 1.00 0.00 H new ATOM 612 N GLN A 49 -15.348 -4.984 -41.378 1.00 0.00 N ATOM 613 CA GLN A 49 -16.408 -5.906 -40.991 1.00 0.00 C ATOM 614 C GLN A 49 -15.848 -7.291 -40.684 1.00 0.00 C ATOM 615 O GLN A 49 -14.667 -7.564 -40.906 1.00 0.00 O ATOM 616 CB GLN A 49 -17.459 -6.016 -42.093 1.00 0.00 C ATOM 617 CG GLN A 49 -18.342 -4.797 -42.244 1.00 0.00 C ATOM 618 CD GLN A 49 -19.393 -4.984 -43.323 1.00 0.00 C ATOM 619 OE1 GLN A 49 -19.857 -3.892 -43.890 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -19.806 -6.105 -43.619 1.00 0.00 N flip ATOM 0 H GLN A 49 -15.329 -4.759 -42.373 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.874 -5.508 -40.090 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.954 -6.203 -43.041 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -18.089 -6.882 -41.891 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.832 -4.585 -41.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.726 -3.931 -42.485 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.421 -6.929 -43.157 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.533 -6.210 -44.326 1.00 0.00 H new ATOM 629 N THR A 50 -16.698 -8.161 -40.176 1.00 0.00 N ATOM 630 CA THR A 50 -16.305 -9.519 -39.860 1.00 0.00 C ATOM 631 C THR A 50 -17.491 -10.476 -40.058 1.00 0.00 C ATOM 632 O THR A 50 -18.375 -10.560 -39.200 1.00 0.00 O ATOM 633 CB THR A 50 -15.795 -9.632 -38.410 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.797 -8.625 -38.169 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.199 -11.009 -38.162 1.00 0.00 C ATOM 0 H THR A 50 -17.674 -7.948 -39.972 1.00 0.00 H new ATOM 0 HA THR A 50 -15.495 -9.794 -40.536 1.00 0.00 H new ATOM 0 HB THR A 50 -16.635 -9.485 -37.731 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.475 -8.698 -37.246 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.844 -11.072 -37.133 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.960 -11.771 -38.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.365 -11.173 -38.845 1.00 0.00 H new ATOM 643 N PRO A 51 -17.546 -11.191 -41.202 1.00 0.00 N ATOM 644 CA PRO A 51 -16.525 -11.110 -42.262 1.00 0.00 C ATOM 645 C PRO A 51 -16.584 -9.786 -43.014 1.00 0.00 C ATOM 646 O PRO A 51 -17.606 -9.094 -42.987 1.00 0.00 O ATOM 647 CB PRO A 51 -16.902 -12.259 -43.196 1.00 0.00 C ATOM 648 CG PRO A 51 -18.368 -12.422 -43.009 1.00 0.00 C ATOM 649 CD PRO A 51 -18.629 -12.127 -41.559 1.00 0.00 C ATOM 0 HA PRO A 51 -15.513 -11.174 -41.863 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.657 -12.025 -44.232 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.365 -13.172 -42.940 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.923 -11.740 -43.653 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.685 -13.433 -43.266 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.612 -11.680 -41.410 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.595 -13.032 -40.952 1.00 0.00 H new ATOM 657 N CYS A 52 -15.485 -9.437 -43.666 1.00 0.00 N ATOM 658 CA CYS A 52 -15.393 -8.198 -44.425 1.00 0.00 C ATOM 659 C CYS A 52 -16.512 -8.115 -45.456 1.00 0.00 C ATOM 660 O CYS A 52 -16.908 -9.127 -46.040 1.00 0.00 O ATOM 661 CB CYS A 52 -14.040 -8.113 -45.121 1.00 0.00 C ATOM 662 SG CYS A 52 -13.698 -6.530 -45.905 1.00 0.00 S ATOM 0 H CYS A 52 -14.636 -10.001 -43.684 1.00 0.00 H new ATOM 0 HA CYS A 52 -15.495 -7.361 -43.734 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -13.257 -8.318 -44.391 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.985 -8.897 -45.876 1.00 0.00 H new ATOM 0 HG CYS A 52 -13.905 -6.626 -47.185 1.00 0.00 H new ATOM 667 N GLY A 53 -17.027 -6.922 -45.665 1.00 0.00 N ATOM 668 CA GLY A 53 -18.100 -6.746 -46.609 1.00 0.00 C ATOM 669 C GLY A 53 -17.765 -5.732 -47.659 1.00 0.00 C ATOM 670 O GLY A 53 -18.651 -5.231 -48.354 1.00 0.00 O ATOM 0 H GLY A 53 -16.721 -6.069 -45.197 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -18.323 -7.701 -47.085 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -19.001 -6.435 -46.080 1.00 0.00 H new ATOM 674 N CYS A 54 -16.483 -5.438 -47.797 1.00 0.00 N ATOM 675 CA CYS A 54 -16.038 -4.435 -48.739 1.00 0.00 C ATOM 676 C CYS A 54 -16.344 -4.874 -50.164 1.00 0.00 C ATOM 677 O CYS A 54 -17.029 -4.181 -50.892 1.00 0.00 O ATOM 678 CB CYS A 54 -14.548 -4.152 -48.570 1.00 0.00 C ATOM 679 SG CYS A 54 -14.084 -2.432 -48.916 1.00 0.00 S ATOM 0 H CYS A 54 -15.734 -5.883 -47.266 1.00 0.00 H new ATOM 0 HA CYS A 54 -16.580 -3.511 -48.537 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -14.254 -4.399 -47.550 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -13.985 -4.810 -49.232 1.00 0.00 H new ATOM 0 HG CYS A 54 -12.804 -2.285 -48.745 1.00 0.00 H new ATOM 684 N ALA A 55 -15.878 -6.058 -50.540 1.00 0.00 N ATOM 685 CA ALA A 55 -16.110 -6.574 -51.889 1.00 0.00 C ATOM 686 C ALA A 55 -17.591 -6.847 -52.117 1.00 0.00 C ATOM 687 O ALA A 55 -18.057 -6.913 -53.255 1.00 0.00 O ATOM 688 CB ALA A 55 -15.299 -7.838 -52.122 1.00 0.00 C ATOM 0 H ALA A 55 -15.339 -6.679 -49.936 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.787 -5.816 -52.602 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.484 -8.208 -53.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.238 -7.616 -52.006 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.593 -8.597 -51.397 1.00 0.00 H new ATOM 694 N THR A 56 -18.320 -6.995 -51.032 1.00 0.00 N ATOM 695 CA THR A 56 -19.738 -7.262 -51.086 1.00 0.00 C ATOM 696 C THR A 56 -20.534 -6.003 -51.457 1.00 0.00 C ATOM 697 O THR A 56 -21.310 -6.005 -52.416 1.00 0.00 O ATOM 698 CB THR A 56 -20.234 -7.792 -49.731 1.00 0.00 C ATOM 699 OG1 THR A 56 -19.461 -8.934 -49.347 1.00 0.00 O ATOM 700 CG2 THR A 56 -21.704 -8.166 -49.800 1.00 0.00 C ATOM 0 H THR A 56 -17.944 -6.933 -50.086 1.00 0.00 H new ATOM 0 HA THR A 56 -19.899 -8.015 -51.858 1.00 0.00 H new ATOM 0 HB THR A 56 -20.115 -7.003 -48.988 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.779 -9.268 -48.482 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.031 -8.538 -48.829 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.291 -7.287 -50.068 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.847 -8.941 -50.553 1.00 0.00 H new ATOM 708 N SER A 57 -20.323 -4.934 -50.706 1.00 0.00 N ATOM 709 CA SER A 57 -21.070 -3.702 -50.912 1.00 0.00 C ATOM 710 C SER A 57 -20.387 -2.777 -51.928 1.00 0.00 C ATOM 711 O SER A 57 -21.005 -1.840 -52.440 1.00 0.00 O ATOM 712 CB SER A 57 -21.255 -2.988 -49.576 1.00 0.00 C ATOM 713 OG SER A 57 -21.867 -3.846 -48.623 1.00 0.00 O ATOM 0 H SER A 57 -19.641 -4.894 -49.948 1.00 0.00 H new ATOM 0 HA SER A 57 -22.044 -3.963 -51.325 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.288 -2.653 -49.201 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.868 -2.098 -49.717 1.00 0.00 H new ATOM 0 HG SER A 57 -21.974 -3.368 -47.774 1.00 0.00 H new ATOM 719 N GLY A 58 -19.128 -3.037 -52.211 1.00 0.00 N ATOM 720 CA GLY A 58 -18.392 -2.221 -53.152 1.00 0.00 C ATOM 721 C GLY A 58 -17.019 -1.889 -52.630 1.00 0.00 C ATOM 722 O GLY A 58 -16.885 -1.098 -51.700 1.00 0.00 O ATOM 0 H GLY A 58 -18.594 -3.805 -51.804 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -18.305 -2.747 -54.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.942 -1.300 -53.347 1.00 0.00 H new ATOM 726 N CYS A 59 -16.002 -2.510 -53.216 1.00 0.00 N ATOM 727 CA CYS A 59 -14.626 -2.331 -52.771 1.00 0.00 C ATOM 728 C CYS A 59 -14.224 -0.858 -52.826 1.00 0.00 C ATOM 729 O CYS A 59 -14.478 -0.165 -53.823 1.00 0.00 O ATOM 730 CB CYS A 59 -13.684 -3.181 -53.617 1.00 0.00 C ATOM 731 SG CYS A 59 -12.034 -3.368 -52.920 1.00 0.00 S ATOM 0 H CYS A 59 -16.107 -3.146 -54.006 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.553 -2.659 -51.734 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -14.124 -4.169 -53.750 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.600 -2.734 -54.607 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.326 -2.312 -53.191 1.00 0.00 H new ATOM 736 N ASN A 60 -13.608 -0.384 -51.758 1.00 0.00 N ATOM 737 CA ASN A 60 -13.238 1.025 -51.643 1.00 0.00 C ATOM 738 C ASN A 60 -11.741 1.237 -51.842 1.00 0.00 C ATOM 739 O ASN A 60 -11.322 2.169 -52.530 1.00 0.00 O ATOM 740 CB ASN A 60 -13.660 1.568 -50.271 1.00 0.00 C ATOM 741 CG ASN A 60 -15.162 1.505 -50.036 1.00 0.00 C ATOM 742 OD1 ASN A 60 -15.615 1.261 -48.919 1.00 0.00 O ATOM 743 ND2 ASN A 60 -15.941 1.752 -51.074 1.00 0.00 N ATOM 0 H ASN A 60 -13.350 -0.953 -50.952 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.760 1.568 -52.431 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.153 1.000 -49.491 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.328 2.602 -50.179 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -16.955 1.744 -50.964 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -15.528 1.950 -51.985 1.00 0.00 H new ATOM 750 N CYS A 61 -10.948 0.384 -51.240 1.00 0.00 N ATOM 751 CA CYS A 61 -9.498 0.502 -51.302 1.00 0.00 C ATOM 752 C CYS A 61 -8.923 -0.234 -52.515 1.00 0.00 C ATOM 753 O CYS A 61 -9.663 -0.654 -53.410 1.00 0.00 O ATOM 754 CB CYS A 61 -8.914 -0.055 -50.028 1.00 0.00 C ATOM 755 SG CYS A 61 -9.621 -1.638 -49.588 1.00 0.00 S ATOM 0 H CYS A 61 -11.280 -0.411 -50.694 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.235 1.554 -51.409 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.835 -0.161 -50.142 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.080 0.652 -49.216 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.311 -2.098 -50.589 1.00 0.00 H new ATOM 760 N THR A 62 -7.602 -0.378 -52.544 1.00 0.00 N ATOM 761 CA THR A 62 -6.924 -1.029 -53.649 1.00 0.00 C ATOM 762 C THR A 62 -6.359 -2.395 -53.245 1.00 0.00 C ATOM 763 O THR A 62 -6.492 -2.822 -52.097 1.00 0.00 O ATOM 764 CB THR A 62 -5.786 -0.142 -54.194 1.00 0.00 C ATOM 765 OG1 THR A 62 -4.940 0.287 -53.115 1.00 0.00 O ATOM 766 CG2 THR A 62 -6.346 1.076 -54.918 1.00 0.00 C ATOM 0 H THR A 62 -6.979 -0.048 -51.806 1.00 0.00 H new ATOM 0 HA THR A 62 -7.668 -1.183 -54.431 1.00 0.00 H new ATOM 0 HB THR A 62 -5.204 -0.731 -54.903 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.219 0.848 -53.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.524 1.686 -55.293 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.966 0.750 -55.753 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.949 1.665 -54.227 1.00 0.00 H new ATOM 774 N ASP A 63 -5.701 -3.061 -54.200 1.00 0.00 N ATOM 775 CA ASP A 63 -5.113 -4.391 -53.977 1.00 0.00 C ATOM 776 C ASP A 63 -3.919 -4.321 -53.038 1.00 0.00 C ATOM 777 O ASP A 63 -3.364 -5.344 -52.641 1.00 0.00 O ATOM 778 CB ASP A 63 -4.690 -5.031 -55.305 1.00 0.00 C ATOM 779 CG ASP A 63 -5.863 -5.342 -56.203 1.00 0.00 C ATOM 780 OD1 ASP A 63 -6.092 -4.585 -57.175 1.00 0.00 O ATOM 781 OD2 ASP A 63 -6.565 -6.337 -55.941 1.00 0.00 O ATOM 0 H ASP A 63 -5.560 -2.699 -55.143 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.881 -5.010 -53.513 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.007 -4.360 -55.826 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.140 -5.950 -55.102 1.00 0.00 H new ATOM 786 N ASP A 64 -3.527 -3.108 -52.701 1.00 0.00 N ATOM 787 CA ASP A 64 -2.410 -2.861 -51.798 1.00 0.00 C ATOM 788 C ASP A 64 -2.757 -3.297 -50.379 1.00 0.00 C ATOM 789 O ASP A 64 -1.874 -3.599 -49.572 1.00 0.00 O ATOM 790 CB ASP A 64 -2.062 -1.377 -51.815 1.00 0.00 C ATOM 791 CG ASP A 64 -0.866 -1.043 -50.956 1.00 0.00 C ATOM 792 OD1 ASP A 64 0.260 -1.357 -51.365 1.00 0.00 O ATOM 793 OD2 ASP A 64 -1.052 -0.443 -49.875 1.00 0.00 O ATOM 0 H ASP A 64 -3.974 -2.258 -53.046 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.551 -3.442 -52.134 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.864 -1.067 -52.841 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.922 -0.803 -51.470 1.00 0.00 H new ATOM 798 N CYS A 65 -4.046 -3.332 -50.083 1.00 0.00 N ATOM 799 CA CYS A 65 -4.516 -3.739 -48.778 1.00 0.00 C ATOM 800 C CYS A 65 -4.170 -5.215 -48.547 1.00 0.00 C ATOM 801 O CYS A 65 -4.329 -6.041 -49.447 1.00 0.00 O ATOM 802 CB CYS A 65 -6.036 -3.522 -48.678 1.00 0.00 C ATOM 803 SG CYS A 65 -6.659 -3.353 -46.981 1.00 0.00 S ATOM 0 H CYS A 65 -4.787 -3.081 -50.737 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.028 -3.137 -48.011 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.301 -2.626 -49.240 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.543 -4.360 -49.156 1.00 0.00 H new ATOM 0 HG CYS A 65 -7.946 -3.172 -47.007 1.00 0.00 H new ATOM 808 N LYS A 66 -3.690 -5.542 -47.344 1.00 0.00 N ATOM 809 CA LYS A 66 -3.318 -6.930 -47.017 1.00 0.00 C ATOM 810 C LYS A 66 -4.556 -7.762 -46.765 1.00 0.00 C ATOM 811 O LYS A 66 -4.472 -8.960 -46.496 1.00 0.00 O ATOM 812 CB LYS A 66 -2.425 -7.000 -45.767 1.00 0.00 C ATOM 813 CG LYS A 66 -1.165 -6.166 -45.830 1.00 0.00 C ATOM 814 CD LYS A 66 -1.315 -4.878 -45.040 1.00 0.00 C ATOM 815 CE LYS A 66 -0.038 -4.055 -45.106 1.00 0.00 C ATOM 816 NZ LYS A 66 -0.157 -2.769 -44.374 1.00 0.00 N ATOM 0 H LYS A 66 -3.549 -4.876 -46.585 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.765 -7.321 -47.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.010 -6.682 -44.904 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.146 -8.040 -45.597 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.326 -6.740 -45.437 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.932 -5.933 -46.869 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.148 -4.298 -45.436 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.552 -5.108 -44.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.786 -4.633 -44.688 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.209 -3.855 -46.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.738 -2.244 -44.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.926 -2.204 -44.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.367 -2.957 -43.373 1.00 0.00 H new ATOM 830 N CYS A 67 -5.695 -7.122 -46.838 1.00 0.00 N ATOM 831 CA CYS A 67 -6.937 -7.768 -46.566 1.00 0.00 C ATOM 832 C CYS A 67 -7.373 -8.648 -47.731 1.00 0.00 C ATOM 833 O CYS A 67 -7.821 -8.160 -48.768 1.00 0.00 O ATOM 834 CB CYS A 67 -7.994 -6.737 -46.254 1.00 0.00 C ATOM 835 SG CYS A 67 -9.495 -7.452 -45.622 1.00 0.00 S ATOM 0 H CYS A 67 -5.779 -6.137 -47.089 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.803 -8.415 -45.699 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.600 -6.029 -45.525 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.220 -6.171 -47.158 1.00 0.00 H new ATOM 0 HG CYS A 67 -10.355 -6.509 -45.375 1.00 0.00 H new ATOM 840 N GLN A 68 -7.252 -9.951 -47.548 1.00 0.00 N ATOM 841 CA GLN A 68 -7.614 -10.910 -48.584 1.00 0.00 C ATOM 842 C GLN A 68 -9.109 -11.181 -48.573 1.00 0.00 C ATOM 843 O GLN A 68 -9.599 -12.046 -49.293 1.00 0.00 O ATOM 844 CB GLN A 68 -6.847 -12.219 -48.386 1.00 0.00 C ATOM 845 CG GLN A 68 -5.346 -12.030 -48.279 1.00 0.00 C ATOM 846 CD GLN A 68 -4.766 -11.289 -49.464 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.259 -11.394 -50.582 1.00 0.00 O ATOM 848 NE2 GLN A 68 -3.716 -10.528 -49.220 1.00 0.00 N ATOM 0 H GLN A 68 -6.904 -10.374 -46.687 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.347 -10.482 -49.550 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.209 -12.710 -47.483 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.063 -12.887 -49.220 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.117 -11.482 -47.365 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.866 -13.005 -48.195 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.337 -10.469 -48.275 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.283 -9.999 -49.977 1.00 0.00 H new ATOM 857 N SER A 69 -9.828 -10.435 -47.763 1.00 0.00 N ATOM 858 CA SER A 69 -11.254 -10.606 -47.651 1.00 0.00 C ATOM 859 C SER A 69 -11.992 -9.880 -48.787 1.00 0.00 C ATOM 860 O SER A 69 -13.144 -10.194 -49.089 1.00 0.00 O ATOM 861 CB SER A 69 -11.726 -10.114 -46.292 1.00 0.00 C ATOM 862 OG SER A 69 -10.945 -10.684 -45.246 1.00 0.00 O ATOM 0 H SER A 69 -9.442 -9.700 -47.170 1.00 0.00 H new ATOM 0 HA SER A 69 -11.485 -11.667 -47.740 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.658 -9.027 -46.251 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.775 -10.374 -46.151 1.00 0.00 H new ATOM 0 HG SER A 69 -10.277 -10.033 -44.945 1.00 0.00 H new ATOM 868 N CYS A 70 -11.332 -8.906 -49.403 1.00 0.00 N ATOM 869 CA CYS A 70 -11.922 -8.188 -50.531 1.00 0.00 C ATOM 870 C CYS A 70 -10.911 -7.999 -51.672 1.00 0.00 C ATOM 871 O CYS A 70 -11.295 -7.833 -52.833 1.00 0.00 O ATOM 872 CB CYS A 70 -12.466 -6.837 -50.083 1.00 0.00 C ATOM 873 SG CYS A 70 -11.232 -5.750 -49.382 1.00 0.00 S ATOM 0 H CYS A 70 -10.395 -8.596 -49.145 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.746 -8.794 -50.909 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -12.928 -6.342 -50.937 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -13.252 -7.000 -49.346 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.789 -4.628 -49.034 1.00 0.00 H new ATOM 878 N SER A 71 -9.623 -8.039 -51.339 1.00 0.00 N ATOM 879 CA SER A 71 -8.568 -7.845 -52.327 1.00 0.00 C ATOM 880 C SER A 71 -8.263 -9.150 -53.085 1.00 0.00 C ATOM 881 O SER A 71 -8.897 -10.190 -52.847 1.00 0.00 O ATOM 882 CB SER A 71 -7.302 -7.308 -51.640 1.00 0.00 C ATOM 883 OG SER A 71 -6.321 -6.898 -52.580 1.00 0.00 O ATOM 0 H SER A 71 -9.286 -8.204 -50.391 1.00 0.00 H new ATOM 0 HA SER A 71 -8.913 -7.114 -53.059 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.566 -6.466 -51.001 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.885 -8.080 -50.994 1.00 0.00 H new ATOM 0 HG SER A 71 -5.634 -7.592 -52.660 1.00 0.00 H new ATOM 889 N THR A 72 -7.298 -9.080 -53.988 1.00 0.00 N ATOM 890 CA THR A 72 -6.903 -10.214 -54.800 1.00 0.00 C ATOM 891 C THR A 72 -6.027 -11.180 -54.014 1.00 0.00 C ATOM 892 O THR A 72 -5.092 -10.767 -53.325 1.00 0.00 O ATOM 893 CB THR A 72 -6.156 -9.742 -56.056 1.00 0.00 C ATOM 894 OG1 THR A 72 -5.204 -8.722 -55.702 1.00 0.00 O ATOM 895 CG2 THR A 72 -7.131 -9.184 -57.067 1.00 0.00 C ATOM 0 H THR A 72 -6.766 -8.230 -54.177 1.00 0.00 H new ATOM 0 HA THR A 72 -7.811 -10.738 -55.098 1.00 0.00 H new ATOM 0 HB THR A 72 -5.636 -10.594 -56.493 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.628 -7.841 -55.769 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.588 -8.853 -57.952 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.846 -9.957 -57.348 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.663 -8.339 -56.631 1.00 0.00 H new ATOM 903 N ALA A 73 -6.320 -12.464 -54.136 1.00 0.00 N ATOM 904 CA ALA A 73 -5.595 -13.489 -53.409 1.00 0.00 C ATOM 905 C ALA A 73 -4.408 -14.023 -54.214 1.00 0.00 C ATOM 906 O ALA A 73 -4.326 -13.834 -55.438 1.00 0.00 O ATOM 907 CB ALA A 73 -6.535 -14.626 -53.040 1.00 0.00 C ATOM 0 H ALA A 73 -7.062 -12.822 -54.738 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.198 -13.037 -52.500 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.983 -15.392 -52.494 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.341 -14.243 -52.413 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.956 -15.059 -53.947 1.00 0.00 H new ATOM 913 N CYS A 74 -3.492 -14.681 -53.512 1.00 0.00 N ATOM 914 CA CYS A 74 -2.310 -15.287 -54.121 1.00 0.00 C ATOM 915 C CYS A 74 -2.752 -16.438 -55.027 1.00 0.00 C ATOM 916 O CYS A 74 -3.704 -17.150 -54.704 1.00 0.00 O ATOM 917 CB CYS A 74 -1.391 -15.821 -53.008 1.00 0.00 C ATOM 918 SG CYS A 74 0.346 -16.075 -53.468 1.00 0.00 S ATOM 0 H CYS A 74 -3.547 -14.810 -52.502 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.770 -14.548 -54.712 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.427 -15.126 -52.169 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.795 -16.769 -52.653 1.00 0.00 H new ATOM 0 HG CYS A 74 0.450 -17.146 -54.197 1.00 0.00 H new ATOM 923 N LYS A 75 -2.075 -16.620 -56.148 1.00 0.00 N ATOM 924 CA LYS A 75 -2.449 -17.670 -57.100 1.00 0.00 C ATOM 925 C LYS A 75 -1.692 -18.953 -56.836 1.00 0.00 C ATOM 926 O LYS A 75 -1.720 -19.882 -57.648 1.00 0.00 O ATOM 927 CB LYS A 75 -2.206 -17.224 -58.548 1.00 0.00 C ATOM 928 CG LYS A 75 -3.044 -16.043 -58.988 1.00 0.00 C ATOM 929 CD LYS A 75 -4.527 -16.349 -58.925 1.00 0.00 C ATOM 930 CE LYS A 75 -5.358 -15.133 -59.302 1.00 0.00 C ATOM 931 NZ LYS A 75 -4.984 -13.933 -58.500 1.00 0.00 N ATOM 0 H LYS A 75 -1.268 -16.062 -56.427 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.514 -17.855 -56.961 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.152 -16.970 -58.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.407 -18.064 -59.213 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.823 -15.184 -58.354 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.773 -15.765 -60.007 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.759 -17.174 -59.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.791 -16.675 -57.919 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.225 -14.917 -60.362 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.415 -15.355 -59.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.679 -13.176 -58.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.972 -14.181 -57.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.040 -13.604 -58.787 1.00 0.00 H new ATOM 945 N CYS A 76 -1.029 -19.015 -55.714 1.00 0.00 N ATOM 946 CA CYS A 76 -0.261 -20.172 -55.370 1.00 0.00 C ATOM 947 C CYS A 76 -1.109 -21.194 -54.645 1.00 0.00 C ATOM 948 O CYS A 76 -2.104 -20.853 -54.000 1.00 0.00 O ATOM 949 CB CYS A 76 0.929 -19.768 -54.537 1.00 0.00 C ATOM 950 SG CYS A 76 2.011 -18.595 -55.371 1.00 0.00 S ATOM 0 H CYS A 76 -1.008 -18.269 -55.019 1.00 0.00 H new ATOM 0 HA CYS A 76 0.097 -20.638 -56.288 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.579 -19.329 -53.603 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.501 -20.658 -54.276 1.00 0.00 H new ATOM 0 HG CYS A 76 1.298 -17.794 -56.107 1.00 0.00 H new ATOM 955 N ALA A 77 -0.717 -22.440 -54.759 1.00 0.00 N ATOM 956 CA ALA A 77 -1.441 -23.527 -54.148 1.00 0.00 C ATOM 957 C ALA A 77 -0.574 -24.231 -53.135 1.00 0.00 C ATOM 958 O ALA A 77 0.595 -23.875 -52.953 1.00 0.00 O ATOM 959 CB ALA A 77 -1.892 -24.508 -55.207 1.00 0.00 C ATOM 0 H ALA A 77 0.113 -22.728 -55.278 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.316 -23.121 -53.640 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.438 -25.326 -54.737 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.542 -24.001 -55.920 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.022 -24.906 -55.729 1.00 0.00 H new ATOM 965 N ALA A 78 -1.139 -25.234 -52.485 1.00 0.00 N ATOM 966 CA ALA A 78 -0.422 -26.017 -51.502 1.00 0.00 C ATOM 967 C ALA A 78 0.752 -26.749 -52.144 1.00 0.00 C ATOM 968 O ALA A 78 0.593 -27.823 -52.722 1.00 0.00 O ATOM 969 CB ALA A 78 -1.362 -27.000 -50.821 1.00 0.00 C ATOM 0 H ALA A 78 -2.106 -25.526 -52.626 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.024 -25.340 -50.746 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.808 -27.582 -50.084 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.163 -26.453 -50.324 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.789 -27.671 -51.566 1.00 0.00 H new ATOM 975 N GLY A 79 1.914 -26.134 -52.071 1.00 0.00 N ATOM 976 CA GLY A 79 3.112 -26.725 -52.616 1.00 0.00 C ATOM 977 C GLY A 79 3.408 -26.245 -54.022 1.00 0.00 C ATOM 978 O GLY A 79 4.132 -26.900 -54.767 1.00 0.00 O ATOM 0 H GLY A 79 2.051 -25.221 -51.637 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.957 -26.488 -51.969 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.008 -27.810 -52.620 1.00 0.00 H new ATOM 982 N SER A 80 2.851 -25.104 -54.391 1.00 0.00 N ATOM 983 CA SER A 80 3.061 -24.560 -55.718 1.00 0.00 C ATOM 984 C SER A 80 3.080 -23.033 -55.690 1.00 0.00 C ATOM 985 O SER A 80 2.037 -22.401 -55.567 1.00 0.00 O ATOM 986 CB SER A 80 1.959 -25.061 -56.665 1.00 0.00 C ATOM 987 OG SER A 80 2.159 -24.608 -57.996 1.00 0.00 O ATOM 0 H SER A 80 2.251 -24.539 -53.790 1.00 0.00 H new ATOM 0 HA SER A 80 4.031 -24.901 -56.081 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.937 -26.151 -56.652 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.988 -24.718 -56.307 1.00 0.00 H new ATOM 0 HG SER A 80 1.657 -25.179 -58.615 1.00 0.00 H new ATOM 993 N CYS A 81 4.270 -22.456 -55.788 1.00 0.00 N ATOM 994 CA CYS A 81 4.431 -21.007 -55.830 1.00 0.00 C ATOM 995 C CYS A 81 4.511 -20.524 -57.278 1.00 0.00 C ATOM 996 O CYS A 81 5.430 -20.893 -58.012 1.00 0.00 O ATOM 997 CB CYS A 81 5.705 -20.576 -55.083 1.00 0.00 C ATOM 998 SG CYS A 81 5.468 -20.044 -53.368 1.00 0.00 S ATOM 0 H CYS A 81 5.147 -22.975 -55.840 1.00 0.00 H new ATOM 0 HA CYS A 81 3.564 -20.560 -55.343 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.408 -21.409 -55.092 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.170 -19.760 -55.636 1.00 0.00 H new ATOM 0 HG CYS A 81 4.211 -19.780 -53.165 1.00 0.00 H new ATOM 1003 N LYS A 82 3.553 -19.707 -57.684 1.00 0.00 N ATOM 1004 CA LYS A 82 3.548 -19.144 -59.030 1.00 0.00 C ATOM 1005 C LYS A 82 4.447 -17.934 -59.072 1.00 0.00 C ATOM 1006 O LYS A 82 5.119 -17.670 -60.068 1.00 0.00 O ATOM 1007 CB LYS A 82 2.125 -18.774 -59.475 1.00 0.00 C ATOM 1008 CG LYS A 82 1.360 -19.922 -60.125 1.00 0.00 C ATOM 1009 CD LYS A 82 1.339 -21.147 -59.239 1.00 0.00 C ATOM 1010 CE LYS A 82 0.713 -22.343 -59.940 1.00 0.00 C ATOM 1011 NZ LYS A 82 -0.732 -22.146 -60.212 1.00 0.00 N ATOM 0 H LYS A 82 2.767 -19.417 -57.102 1.00 0.00 H new ATOM 0 HA LYS A 82 3.922 -19.897 -59.723 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.565 -18.422 -58.609 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.180 -17.943 -60.178 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.338 -19.606 -60.335 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.820 -20.171 -61.081 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.357 -21.395 -58.938 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.782 -20.927 -58.329 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.235 -22.525 -60.879 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.846 -23.232 -59.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.121 -23.001 -60.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.232 -21.965 -59.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.858 -21.334 -60.849 1.00 0.00 H new ATOM 1025 N CYS A 83 4.457 -17.206 -57.983 1.00 0.00 N ATOM 1026 CA CYS A 83 5.317 -16.064 -57.838 1.00 0.00 C ATOM 1027 C CYS A 83 6.731 -16.531 -57.511 1.00 0.00 C ATOM 1028 O CYS A 83 7.717 -15.948 -57.965 1.00 0.00 O ATOM 1029 CB CYS A 83 4.791 -15.190 -56.715 1.00 0.00 C ATOM 1030 SG CYS A 83 4.609 -16.084 -55.156 1.00 0.00 S ATOM 0 H CYS A 83 3.867 -17.391 -57.172 1.00 0.00 H new ATOM 0 HA CYS A 83 5.336 -15.493 -58.766 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.468 -14.348 -56.569 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.826 -14.776 -57.005 1.00 0.00 H new ATOM 0 HG CYS A 83 3.668 -16.973 -55.273 1.00 0.00 H new ATOM 1035 N GLY A 84 6.814 -17.606 -56.732 1.00 0.00 N ATOM 1036 CA GLY A 84 8.094 -18.133 -56.312 1.00 0.00 C ATOM 1037 C GLY A 84 8.622 -17.396 -55.105 1.00 0.00 C ATOM 1038 O GLY A 84 9.832 -17.229 -54.948 1.00 0.00 O ATOM 0 H GLY A 84 6.007 -18.123 -56.383 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.994 -19.193 -56.078 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.809 -18.053 -57.131 1.00 0.00 H new ATOM 1042 N LYS A 85 7.714 -16.954 -54.247 1.00 0.00 N ATOM 1043 CA LYS A 85 8.087 -16.171 -53.078 1.00 0.00 C ATOM 1044 C LYS A 85 8.004 -16.986 -51.785 1.00 0.00 C ATOM 1045 O LYS A 85 8.414 -16.519 -50.722 1.00 0.00 O ATOM 1046 CB LYS A 85 7.211 -14.922 -52.990 1.00 0.00 C ATOM 1047 CG LYS A 85 7.298 -14.023 -54.226 1.00 0.00 C ATOM 1048 CD LYS A 85 8.704 -13.466 -54.428 1.00 0.00 C ATOM 1049 CE LYS A 85 9.112 -12.585 -53.256 1.00 0.00 C ATOM 1050 NZ LYS A 85 10.474 -12.023 -53.418 1.00 0.00 N ATOM 0 H LYS A 85 6.713 -17.125 -54.339 1.00 0.00 H new ATOM 0 HA LYS A 85 9.129 -15.873 -53.195 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.174 -15.225 -52.844 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.501 -14.346 -52.111 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.002 -14.590 -55.109 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.592 -13.199 -54.125 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.413 -14.287 -54.535 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.742 -12.889 -55.352 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.396 -11.770 -53.151 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.069 -13.167 -52.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.705 -11.431 -52.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.163 -12.798 -53.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.510 -11.445 -54.282 1.00 0.00 H new ATOM 1064 N GLY A 86 7.465 -18.193 -51.873 1.00 0.00 N ATOM 1065 CA GLY A 86 7.409 -19.063 -50.708 1.00 0.00 C ATOM 1066 C GLY A 86 6.034 -19.134 -50.069 1.00 0.00 C ATOM 1067 O GLY A 86 5.835 -19.859 -49.092 1.00 0.00 O ATOM 0 H GLY A 86 7.066 -18.588 -52.725 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.717 -20.067 -50.999 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.127 -18.711 -49.967 1.00 0.00 H new ATOM 1071 N CYS A 87 5.092 -18.404 -50.618 1.00 0.00 N ATOM 1072 CA CYS A 87 3.743 -18.385 -50.100 1.00 0.00 C ATOM 1073 C CYS A 87 2.866 -19.368 -50.857 1.00 0.00 C ATOM 1074 O CYS A 87 2.380 -19.079 -51.934 1.00 0.00 O ATOM 1075 CB CYS A 87 3.176 -16.980 -50.206 1.00 0.00 C ATOM 1076 SG CYS A 87 3.498 -16.192 -51.794 1.00 0.00 S ATOM 0 H CYS A 87 5.237 -17.808 -51.433 1.00 0.00 H new ATOM 0 HA CYS A 87 3.762 -18.685 -49.052 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.099 -17.018 -50.040 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.600 -16.365 -49.412 1.00 0.00 H new ATOM 0 HG CYS A 87 2.387 -16.093 -52.463 1.00 0.00 H new ATOM 1081 N THR A 88 2.670 -20.532 -50.293 1.00 0.00 N ATOM 1082 CA THR A 88 1.884 -21.547 -50.943 1.00 0.00 C ATOM 1083 C THR A 88 0.398 -21.394 -50.629 1.00 0.00 C ATOM 1084 O THR A 88 -0.226 -22.278 -50.040 1.00 0.00 O ATOM 1085 CB THR A 88 2.375 -22.952 -50.568 1.00 0.00 C ATOM 1086 OG1 THR A 88 2.538 -23.051 -49.142 1.00 0.00 O ATOM 1087 CG2 THR A 88 3.700 -23.256 -51.258 1.00 0.00 C ATOM 0 H THR A 88 3.045 -20.800 -49.383 1.00 0.00 H new ATOM 0 HA THR A 88 2.012 -21.416 -52.018 1.00 0.00 H new ATOM 0 HB THR A 88 1.632 -23.678 -50.898 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.850 -23.951 -48.910 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.033 -24.256 -50.981 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.568 -23.204 -52.339 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.447 -22.526 -50.948 1.00 0.00 H new ATOM 1095 N GLY A 89 -0.147 -20.253 -51.005 1.00 0.00 N ATOM 1096 CA GLY A 89 -1.554 -19.983 -50.793 1.00 0.00 C ATOM 1097 C GLY A 89 -1.776 -18.624 -50.162 1.00 0.00 C ATOM 1098 O GLY A 89 -0.861 -18.070 -49.574 1.00 0.00 O ATOM 0 H GLY A 89 0.365 -19.497 -51.460 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.081 -20.032 -51.746 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.980 -20.755 -50.153 1.00 0.00 H new ATOM 1102 N PRO A 90 -3.000 -18.068 -50.258 1.00 0.00 N ATOM 1103 CA PRO A 90 -3.330 -16.731 -49.726 1.00 0.00 C ATOM 1104 C PRO A 90 -3.117 -16.603 -48.218 1.00 0.00 C ATOM 1105 O PRO A 90 -2.885 -15.509 -47.718 1.00 0.00 O ATOM 1106 CB PRO A 90 -4.814 -16.564 -50.069 1.00 0.00 C ATOM 1107 CG PRO A 90 -5.304 -17.949 -50.277 1.00 0.00 C ATOM 1108 CD PRO A 90 -4.162 -18.689 -50.892 1.00 0.00 C ATOM 0 HA PRO A 90 -2.682 -15.968 -50.157 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.355 -16.068 -49.263 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.949 -15.956 -50.964 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.604 -18.405 -49.333 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.177 -17.962 -50.929 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.213 -19.758 -50.685 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.142 -18.575 -51.976 1.00 0.00 H new ATOM 1116 N ASP A 91 -3.204 -17.715 -47.493 1.00 0.00 N ATOM 1117 CA ASP A 91 -2.982 -17.679 -46.049 1.00 0.00 C ATOM 1118 C ASP A 91 -1.500 -17.503 -45.763 1.00 0.00 C ATOM 1119 O ASP A 91 -1.105 -16.750 -44.871 1.00 0.00 O ATOM 1120 CB ASP A 91 -3.506 -18.946 -45.370 1.00 0.00 C ATOM 1121 CG ASP A 91 -3.414 -18.867 -43.853 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -4.356 -18.340 -43.223 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -2.406 -19.330 -43.283 1.00 0.00 O ATOM 0 H ASP A 91 -3.422 -18.637 -47.872 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.534 -16.833 -45.640 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.544 -19.109 -45.661 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.937 -19.806 -45.722 1.00 0.00 H new ATOM 1128 N SER A 92 -0.681 -18.195 -46.541 1.00 0.00 N ATOM 1129 CA SER A 92 0.758 -18.080 -46.427 1.00 0.00 C ATOM 1130 C SER A 92 1.207 -16.762 -47.038 1.00 0.00 C ATOM 1131 O SER A 92 2.214 -16.182 -46.635 1.00 0.00 O ATOM 1132 CB SER A 92 1.433 -19.242 -47.154 1.00 0.00 C ATOM 1133 OG SER A 92 0.866 -20.479 -46.767 1.00 0.00 O ATOM 0 H SER A 92 -0.995 -18.845 -47.261 1.00 0.00 H new ATOM 0 HA SER A 92 1.040 -18.110 -45.375 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.329 -19.111 -48.231 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.501 -19.242 -46.934 1.00 0.00 H new ATOM 0 HG SER A 92 1.313 -21.208 -47.246 1.00 0.00 H new ATOM 1139 N CYS A 93 0.441 -16.303 -48.018 1.00 0.00 N ATOM 1140 CA CYS A 93 0.720 -15.065 -48.702 1.00 0.00 C ATOM 1141 C CYS A 93 0.480 -13.889 -47.795 1.00 0.00 C ATOM 1142 O CYS A 93 -0.656 -13.560 -47.456 1.00 0.00 O ATOM 1143 CB CYS A 93 -0.130 -14.935 -49.957 1.00 0.00 C ATOM 1144 SG CYS A 93 0.135 -13.403 -50.880 1.00 0.00 S ATOM 0 H CYS A 93 -0.392 -16.786 -48.356 1.00 0.00 H new ATOM 0 HA CYS A 93 1.770 -15.075 -48.993 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.079 -15.781 -50.612 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.182 -15.000 -49.678 1.00 0.00 H new ATOM 0 HG CYS A 93 0.297 -13.678 -52.140 1.00 0.00 H new ATOM 1149 N LYS A 94 1.550 -13.282 -47.388 1.00 0.00 N ATOM 1150 CA LYS A 94 1.497 -12.121 -46.548 1.00 0.00 C ATOM 1151 C LYS A 94 1.995 -10.936 -47.353 1.00 0.00 C ATOM 1152 O LYS A 94 2.464 -9.937 -46.814 1.00 0.00 O ATOM 1153 CB LYS A 94 2.348 -12.368 -45.299 1.00 0.00 C ATOM 1154 CG LYS A 94 1.962 -13.664 -44.585 1.00 0.00 C ATOM 1155 CD LYS A 94 2.903 -14.010 -43.447 1.00 0.00 C ATOM 1156 CE LYS A 94 2.613 -15.407 -42.903 1.00 0.00 C ATOM 1157 NZ LYS A 94 1.203 -15.552 -42.444 1.00 0.00 N ATOM 0 H LYS A 94 2.495 -13.579 -47.630 1.00 0.00 H new ATOM 0 HA LYS A 94 0.480 -11.912 -46.216 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.400 -12.410 -45.581 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.235 -11.529 -44.612 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.948 -13.571 -44.197 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.954 -14.482 -45.305 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.935 -13.958 -43.795 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.799 -13.276 -42.648 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.819 -16.146 -43.677 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.287 -15.619 -42.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.083 -16.473 -41.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.976 -14.790 -41.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.564 -15.494 -43.262 1.00 0.00 H new ATOM 1171 N CYS A 95 1.865 -11.079 -48.666 1.00 0.00 N ATOM 1172 CA CYS A 95 2.298 -10.083 -49.618 1.00 0.00 C ATOM 1173 C CYS A 95 1.113 -9.203 -50.051 1.00 0.00 C ATOM 1174 O CYS A 95 -0.050 -9.609 -49.945 1.00 0.00 O ATOM 1175 CB CYS A 95 2.915 -10.782 -50.837 1.00 0.00 C ATOM 1176 SG CYS A 95 4.228 -11.984 -50.437 1.00 0.00 S ATOM 0 H CYS A 95 1.449 -11.904 -49.098 1.00 0.00 H new ATOM 0 HA CYS A 95 3.046 -9.442 -49.152 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.124 -11.296 -51.384 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.325 -10.025 -51.505 1.00 0.00 H new ATOM 0 HG CYS A 95 4.678 -12.517 -51.534 1.00 0.00 H new ATOM 1181 N ASP A 96 1.418 -8.013 -50.541 1.00 0.00 N ATOM 1182 CA ASP A 96 0.396 -7.057 -50.964 1.00 0.00 C ATOM 1183 C ASP A 96 0.085 -7.200 -52.469 1.00 0.00 C ATOM 1184 O ASP A 96 0.033 -8.315 -53.006 1.00 0.00 O ATOM 1185 CB ASP A 96 0.849 -5.619 -50.631 1.00 0.00 C ATOM 1186 CG ASP A 96 2.136 -5.221 -51.333 1.00 0.00 C ATOM 1187 OD1 ASP A 96 3.220 -5.571 -50.838 1.00 0.00 O ATOM 1188 OD2 ASP A 96 2.060 -4.554 -52.388 1.00 0.00 O ATOM 0 H ASP A 96 2.375 -7.679 -50.658 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.523 -7.272 -50.418 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.059 -4.922 -50.911 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.987 -5.528 -49.554 1.00 0.00 H new ATOM 1193 N ARG A 97 -0.132 -6.074 -53.142 1.00 0.00 N ATOM 1194 CA ARG A 97 -0.459 -6.066 -54.561 1.00 0.00 C ATOM 1195 C ARG A 97 0.793 -6.267 -55.405 1.00 0.00 C ATOM 1196 O ARG A 97 0.712 -6.530 -56.601 1.00 0.00 O ATOM 1197 CB ARG A 97 -1.099 -4.738 -54.945 1.00 0.00 C ATOM 1198 CG ARG A 97 -0.105 -3.597 -55.098 1.00 0.00 C ATOM 1199 CD ARG A 97 -0.816 -2.298 -55.369 1.00 0.00 C ATOM 1200 NE ARG A 97 0.072 -1.272 -55.928 1.00 0.00 N ATOM 1201 CZ ARG A 97 0.638 -0.275 -55.228 1.00 0.00 C ATOM 1202 NH1 ARG A 97 0.569 -0.250 -53.900 1.00 0.00 N ATOM 1203 NH2 ARG A 97 1.310 0.676 -55.862 1.00 0.00 N ATOM 0 H ARG A 97 -0.086 -5.146 -52.720 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.156 -6.883 -54.748 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -1.640 -4.864 -55.883 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -1.834 -4.467 -54.187 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.493 -3.506 -54.191 1.00 0.00 H new ATOM 0 HG3 ARG A 97 0.584 -3.816 -55.914 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.639 -2.477 -56.061 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.254 -1.928 -54.442 1.00 0.00 H new ATOM 0 HE ARG A 97 0.275 -1.320 -56.926 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.082 -0.994 -53.401 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.003 0.513 -53.381 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.396 0.649 -56.878 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.741 1.435 -55.334 1.00 0.00 H new ATOM 1217 N SER A 98 1.946 -6.159 -54.763 1.00 0.00 N ATOM 1218 CA SER A 98 3.231 -6.241 -55.452 1.00 0.00 C ATOM 1219 C SER A 98 3.577 -7.682 -55.796 1.00 0.00 C ATOM 1220 O SER A 98 4.667 -7.979 -56.293 1.00 0.00 O ATOM 1221 CB SER A 98 4.330 -5.615 -54.592 1.00 0.00 C ATOM 1222 OG SER A 98 3.961 -4.307 -54.167 1.00 0.00 O ATOM 0 H SER A 98 2.021 -6.013 -53.756 1.00 0.00 H new ATOM 0 HA SER A 98 3.155 -5.684 -56.386 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.519 -6.244 -53.722 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.259 -5.568 -55.160 1.00 0.00 H new ATOM 0 HG SER A 98 3.473 -4.364 -53.319 1.00 0.00 H new ATOM 1228 N CYS A 99 2.651 -8.570 -55.526 1.00 0.00 N ATOM 1229 CA CYS A 99 2.824 -9.953 -55.842 1.00 0.00 C ATOM 1230 C CYS A 99 2.530 -10.166 -57.316 1.00 0.00 C ATOM 1231 O CYS A 99 1.584 -9.585 -57.859 1.00 0.00 O ATOM 1232 CB CYS A 99 1.887 -10.801 -55.001 1.00 0.00 C ATOM 1233 SG CYS A 99 2.458 -12.483 -54.751 1.00 0.00 S ATOM 0 H CYS A 99 1.760 -8.347 -55.082 1.00 0.00 H new ATOM 0 HA CYS A 99 3.851 -10.249 -55.626 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.754 -10.324 -54.030 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.908 -10.827 -55.480 1.00 0.00 H new ATOM 0 HG CYS A 99 1.598 -13.129 -54.022 1.00 0.00 H new ATOM 1238 N SER A 100 3.327 -10.991 -57.959 1.00 0.00 N ATOM 1239 CA SER A 100 3.167 -11.260 -59.378 1.00 0.00 C ATOM 1240 C SER A 100 1.892 -12.062 -59.649 1.00 0.00 C ATOM 1241 O SER A 100 1.419 -12.133 -60.782 1.00 0.00 O ATOM 1242 CB SER A 100 4.390 -12.010 -59.898 1.00 0.00 C ATOM 1243 OG SER A 100 5.585 -11.321 -59.548 1.00 0.00 O ATOM 0 H SER A 100 4.099 -11.493 -57.521 1.00 0.00 H new ATOM 0 HA SER A 100 3.077 -10.309 -59.903 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.410 -13.018 -59.483 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.327 -12.113 -60.981 1.00 0.00 H new ATOM 0 HG SER A 100 6.360 -11.816 -59.887 1.00 0.00 H new ATOM 1249 N CYS A 101 1.335 -12.643 -58.602 1.00 0.00 N ATOM 1250 CA CYS A 101 0.136 -13.447 -58.723 1.00 0.00 C ATOM 1251 C CYS A 101 -1.139 -12.606 -58.694 1.00 0.00 C ATOM 1252 O CYS A 101 -2.245 -13.146 -58.738 1.00 0.00 O ATOM 1253 CB CYS A 101 0.098 -14.489 -57.625 1.00 0.00 C ATOM 1254 SG CYS A 101 1.372 -15.741 -57.768 1.00 0.00 S ATOM 0 H CYS A 101 1.699 -12.571 -57.652 1.00 0.00 H new ATOM 0 HA CYS A 101 0.174 -13.937 -59.696 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.199 -13.991 -56.661 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.878 -14.975 -57.632 1.00 0.00 H new ATOM 0 HG CYS A 101 1.903 -15.955 -56.601 1.00 0.00 H new ATOM 1259 N LYS A 102 -1.005 -11.300 -58.592 1.00 0.00 N ATOM 1260 CA LYS A 102 -2.183 -10.450 -58.610 1.00 0.00 C ATOM 1261 C LYS A 102 -2.489 -9.984 -60.027 1.00 0.00 C ATOM 1262 O LYS A 102 -3.039 -10.803 -60.812 1.00 0.00 O ATOM 1263 CB LYS A 102 -2.012 -9.246 -57.697 1.00 0.00 C ATOM 1264 CG LYS A 102 -1.626 -9.594 -56.275 1.00 0.00 C ATOM 1265 CD LYS A 102 -2.445 -10.758 -55.717 1.00 0.00 C ATOM 1266 CE LYS A 102 -2.026 -11.042 -54.273 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.526 -10.006 -53.324 1.00 0.00 N ATOM 0 H LYS A 102 -0.115 -10.810 -58.498 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.020 -11.044 -58.242 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.250 -8.590 -58.118 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.944 -8.682 -57.681 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.567 -9.849 -56.241 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.763 -8.719 -55.640 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.508 -10.519 -55.756 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.295 -11.647 -56.330 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.404 -12.019 -53.973 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.939 -11.090 -54.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.189 -10.223 -52.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.172 -9.071 -53.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.566 -10.000 -53.332 1.00 0.00 H new