USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=53 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 106:sc= 0.299 USER MOD Set 1.2: A 76 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 81 CYS SG : rot 86:sc= 0.315 USER MOD Set 1.4: A 83 CYS SG : rot -159:sc= 0.349 USER MOD Set 1.5: A 93 CYS SG : rot -72:sc= 0.545 USER MOD Set 1.6: A 99 CYS SG : rot 180:sc= 0.854 USER MOD Set 1.7: A 101 CYS SG : rot -140:sc= -0.133 USER MOD Set 2.1: A 87 CYS SG : rot 180:sc= 0.0447 USER MOD Set 2.2: A 95 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 72 THR OG1 : rot -70:sc= 1.12 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 176:sc= 1.54 (180deg=1.44) USER MOD Set 4.1: A 52 CYS SG : rot 81:sc= 0.349 USER MOD Set 4.2: A 67 CYS SG : rot 180:sc= 0 USER MOD Set 4.3: A 70 CYS SG : rot 170:sc= -0.608 USER MOD Set 5.1: A 43 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 47 CYS SG : rot -25:sc= 0.0176 USER MOD Set 5.3: A 59 CYS SG : rot 180:sc= -1.38 USER MOD Set 5.4: A 61 CYS SG : rot -72:sc= 0.137 USER MOD Set 5.5: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 6.1: A 11 CYS SG : rot 180:sc= 0.285 USER MOD Set 6.2: A 15 CYS SG : rot 180:sc= 0 USER MOD Set 6.3: A 20 CYS SG : rot -170:sc= 0.438 USER MOD Set 6.4: A 22 CYS SG : rot 96:sc= -2.04! USER MOD Set 6.5: A 28 CYS SG : rot 180:sc= -1.64! USER MOD Set 6.6: A 32 CYS SG : rot 180:sc= -0.197 USER MOD Set 6.7: A 34 CYS SG : rot 180:sc= -0.788 USER MOD Set 6.8: A 36 SER OG : rot 105:sc= 0.0676 USER MOD Set 7.1: A 12 THR OG1 : rot 180:sc= -0.0631 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= -0.0998 (180deg=-0.539) USER MOD Single : A 17 GLN : amide:sc= -0.716 K(o=-0.72,f=-0.059) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.267 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.123) USER MOD Single : A 35 GLN : amide:sc= -0.0978 X(o=-0.098,f=-0.033) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0117 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00593 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00547 (180deg=-0.174) USER MOD Single : A 49 GLN : amide:sc= -3.41! K(o=-3.4!,f=-2.4) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -130:sc= -3.77! 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 60 ASN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.953 (180deg=0.88) USER MOD Single : A 68 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 114:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0408 (180deg=-0.313) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.0789 (180deg=-0.428) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 92 SER OG : rot -36:sc= 0.356 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 -9.009 -3.111 -20.109 1.00 0.00 N ATOM 94 CA GLY A 8 -8.718 -2.514 -21.392 1.00 0.00 C ATOM 95 C GLY A 8 -8.128 -1.128 -21.290 1.00 0.00 C ATOM 96 O GLY A 8 -7.298 -0.744 -22.109 1.00 0.00 O ATOM 0 HA2 GLY A 8 -8.025 -3.157 -21.934 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.635 -2.468 -21.979 1.00 0.00 H new ATOM 100 N ALA A 9 -8.530 -0.382 -20.268 1.00 0.00 N ATOM 101 CA ALA A 9 -8.049 0.992 -20.068 1.00 0.00 C ATOM 102 C ALA A 9 -6.617 1.027 -19.524 1.00 0.00 C ATOM 103 O ALA A 9 -6.185 2.017 -18.935 1.00 0.00 O ATOM 104 CB ALA A 9 -8.984 1.744 -19.138 1.00 0.00 C ATOM 0 H ALA A 9 -9.190 -0.701 -19.559 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.039 1.480 -21.042 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.617 2.761 -18.997 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.983 1.776 -19.574 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.024 1.236 -18.174 1.00 0.00 H new ATOM 110 N GLY A 10 -5.885 -0.045 -19.737 1.00 0.00 N ATOM 111 CA GLY A 10 -4.522 -0.105 -19.300 1.00 0.00 C ATOM 112 C GLY A 10 -3.574 0.096 -20.447 1.00 0.00 C ATOM 113 O GLY A 10 -2.883 -0.832 -20.863 1.00 0.00 O ATOM 0 H GLY A 10 -6.219 -0.884 -20.212 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.347 0.658 -18.542 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.330 -1.070 -18.831 1.00 0.00 H new ATOM 117 N CYS A 11 -3.562 1.297 -20.984 1.00 0.00 N ATOM 118 CA CYS A 11 -2.680 1.619 -22.090 1.00 0.00 C ATOM 119 C CYS A 11 -1.298 2.034 -21.563 1.00 0.00 C ATOM 120 O CYS A 11 -1.080 2.070 -20.352 1.00 0.00 O ATOM 121 CB CYS A 11 -3.290 2.719 -22.959 1.00 0.00 C ATOM 122 SG CYS A 11 -2.601 2.802 -24.627 1.00 0.00 S ATOM 0 H CYS A 11 -4.153 2.069 -20.674 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.556 0.732 -22.711 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.366 2.559 -23.029 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.142 3.681 -22.467 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.180 3.760 -25.288 1.00 0.00 H new ATOM 127 N THR A 12 -0.377 2.349 -22.461 1.00 0.00 N ATOM 128 CA THR A 12 0.978 2.696 -22.057 1.00 0.00 C ATOM 129 C THR A 12 1.425 4.029 -22.662 1.00 0.00 C ATOM 130 O THR A 12 0.878 4.485 -23.669 1.00 0.00 O ATOM 131 CB THR A 12 1.982 1.580 -22.449 1.00 0.00 C ATOM 132 OG1 THR A 12 3.299 1.918 -21.999 1.00 0.00 O ATOM 133 CG2 THR A 12 2.004 1.369 -23.959 1.00 0.00 C ATOM 0 H THR A 12 -0.541 2.372 -23.468 1.00 0.00 H new ATOM 0 HA THR A 12 0.968 2.798 -20.972 1.00 0.00 H new ATOM 0 HB THR A 12 1.658 0.656 -21.970 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.923 1.206 -22.250 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.716 0.581 -24.206 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.010 1.080 -24.300 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.302 2.295 -24.451 1.00 0.00 H new ATOM 141 N ASP A 13 2.431 4.641 -22.044 1.00 0.00 N ATOM 142 CA ASP A 13 2.964 5.917 -22.502 1.00 0.00 C ATOM 143 C ASP A 13 3.879 5.722 -23.708 1.00 0.00 C ATOM 144 O ASP A 13 4.114 6.651 -24.478 1.00 0.00 O ATOM 145 CB ASP A 13 3.715 6.637 -21.370 1.00 0.00 C ATOM 146 CG ASP A 13 4.987 5.927 -20.941 1.00 0.00 C ATOM 147 OD1 ASP A 13 6.083 6.428 -21.250 1.00 0.00 O ATOM 148 OD2 ASP A 13 4.894 4.868 -20.277 1.00 0.00 O ATOM 0 H ASP A 13 2.896 4.268 -21.217 1.00 0.00 H new ATOM 0 HA ASP A 13 2.123 6.541 -22.805 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.964 7.647 -21.695 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.053 6.733 -20.509 1.00 0.00 H new ATOM 153 N THR A 14 4.376 4.502 -23.885 1.00 0.00 N ATOM 154 CA THR A 14 5.231 4.176 -25.025 1.00 0.00 C ATOM 155 C THR A 14 4.425 4.257 -26.325 1.00 0.00 C ATOM 156 O THR A 14 4.973 4.383 -27.422 1.00 0.00 O ATOM 157 CB THR A 14 5.803 2.752 -24.881 1.00 0.00 C ATOM 158 OG1 THR A 14 6.314 2.573 -23.553 1.00 0.00 O ATOM 159 CG2 THR A 14 6.919 2.508 -25.891 1.00 0.00 C ATOM 0 H THR A 14 4.202 3.720 -23.253 1.00 0.00 H new ATOM 0 HA THR A 14 6.051 4.894 -25.052 1.00 0.00 H new ATOM 0 HB THR A 14 5.002 2.038 -25.071 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.676 1.667 -23.461 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.306 1.496 -25.769 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.528 2.627 -26.901 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.722 3.226 -25.726 1.00 0.00 H new ATOM 167 N CYS A 15 3.124 4.228 -26.175 1.00 0.00 N ATOM 168 CA CYS A 15 2.214 4.241 -27.290 1.00 0.00 C ATOM 169 C CYS A 15 1.997 5.674 -27.802 1.00 0.00 C ATOM 170 O CYS A 15 1.370 5.892 -28.834 1.00 0.00 O ATOM 171 CB CYS A 15 0.893 3.637 -26.836 1.00 0.00 C ATOM 172 SG CYS A 15 -0.051 2.862 -28.135 1.00 0.00 S ATOM 0 H CYS A 15 2.664 4.194 -25.265 1.00 0.00 H new ATOM 0 HA CYS A 15 2.632 3.657 -28.110 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.093 2.899 -26.060 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.287 4.421 -26.382 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.153 2.380 -27.642 1.00 0.00 H new ATOM 177 N LYS A 16 2.547 6.645 -27.081 1.00 0.00 N ATOM 178 CA LYS A 16 2.371 8.063 -27.419 1.00 0.00 C ATOM 179 C LYS A 16 3.476 8.560 -28.340 1.00 0.00 C ATOM 180 O LYS A 16 3.602 9.763 -28.581 1.00 0.00 O ATOM 181 CB LYS A 16 2.387 8.902 -26.137 1.00 0.00 C ATOM 182 CG LYS A 16 1.467 8.380 -25.057 1.00 0.00 C ATOM 183 CD LYS A 16 0.023 8.463 -25.479 1.00 0.00 C ATOM 184 CE LYS A 16 -0.498 9.891 -25.421 1.00 0.00 C ATOM 185 NZ LYS A 16 -0.470 10.432 -24.039 1.00 0.00 N ATOM 0 H LYS A 16 3.122 6.480 -26.255 1.00 0.00 H new ATOM 0 HA LYS A 16 1.416 8.165 -27.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.405 8.937 -25.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.103 9.926 -26.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.722 7.345 -24.828 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.614 8.954 -24.142 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.083 8.078 -26.493 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.582 7.828 -24.832 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.105 10.525 -26.072 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.519 9.921 -25.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.146 11.219 -23.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.732 9.682 -23.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.487 10.775 -23.820 1.00 0.00 H new ATOM 199 N GLN A 17 4.267 7.650 -28.855 1.00 0.00 N ATOM 200 CA GLN A 17 5.418 8.035 -29.648 1.00 0.00 C ATOM 201 C GLN A 17 5.073 8.157 -31.128 1.00 0.00 C ATOM 202 O GLN A 17 4.024 7.687 -31.574 1.00 0.00 O ATOM 203 CB GLN A 17 6.564 7.047 -29.442 1.00 0.00 C ATOM 204 CG GLN A 17 6.865 6.719 -27.974 1.00 0.00 C ATOM 205 CD GLN A 17 6.887 7.939 -27.055 1.00 0.00 C ATOM 206 OE1 GLN A 17 7.900 8.623 -26.950 1.00 0.00 O ATOM 207 NE2 GLN A 17 5.807 8.172 -26.347 1.00 0.00 N ATOM 0 H GLN A 17 4.140 6.644 -28.743 1.00 0.00 H new ATOM 0 HA GLN A 17 5.737 9.020 -29.306 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.328 6.121 -29.967 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.465 7.453 -29.902 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.116 6.016 -27.609 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.830 6.216 -27.916 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.984 7.581 -26.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.791 8.944 -25.681 1.00 0.00 H new ATOM 216 N THR A 18 5.961 8.788 -31.881 1.00 0.00 N ATOM 217 CA THR A 18 5.763 8.988 -33.309 1.00 0.00 C ATOM 218 C THR A 18 7.060 8.737 -34.094 1.00 0.00 C ATOM 219 O THR A 18 8.030 9.492 -33.969 1.00 0.00 O ATOM 220 CB THR A 18 5.238 10.409 -33.611 1.00 0.00 C ATOM 221 OG1 THR A 18 5.842 11.357 -32.714 1.00 0.00 O ATOM 222 CG2 THR A 18 3.724 10.469 -33.481 1.00 0.00 C ATOM 0 H THR A 18 6.834 9.174 -31.522 1.00 0.00 H new ATOM 0 HA THR A 18 5.014 8.264 -33.630 1.00 0.00 H new ATOM 0 HB THR A 18 5.505 10.660 -34.637 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.506 12.256 -32.913 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.380 11.480 -33.699 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.270 9.772 -34.185 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.435 10.198 -32.466 1.00 0.00 H new ATOM 230 N PRO A 19 7.113 7.642 -34.882 1.00 0.00 N ATOM 231 CA PRO A 19 6.018 6.677 -34.991 1.00 0.00 C ATOM 232 C PRO A 19 5.878 5.857 -33.718 1.00 0.00 C ATOM 233 O PRO A 19 6.672 6.011 -32.781 1.00 0.00 O ATOM 234 CB PRO A 19 6.435 5.769 -36.163 1.00 0.00 C ATOM 235 CG PRO A 19 7.591 6.459 -36.808 1.00 0.00 C ATOM 236 CD PRO A 19 8.241 7.267 -35.731 1.00 0.00 C ATOM 0 HA PRO A 19 5.056 7.164 -35.147 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.717 4.777 -35.810 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.614 5.635 -36.868 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.290 5.737 -37.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.258 7.096 -37.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.984 6.688 -35.183 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.752 8.141 -36.134 1.00 0.00 H new ATOM 244 N CYS A 20 4.881 4.995 -33.692 1.00 0.00 N ATOM 245 CA CYS A 20 4.589 4.163 -32.535 1.00 0.00 C ATOM 246 C CYS A 20 5.862 3.491 -31.994 1.00 0.00 C ATOM 247 O CYS A 20 6.604 2.848 -32.741 1.00 0.00 O ATOM 248 CB CYS A 20 3.559 3.120 -32.916 1.00 0.00 C ATOM 249 SG CYS A 20 2.703 2.393 -31.520 1.00 0.00 S ATOM 0 H CYS A 20 4.245 4.849 -34.476 1.00 0.00 H new ATOM 0 HA CYS A 20 4.191 4.795 -31.741 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.825 3.575 -33.581 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.051 2.327 -33.479 1.00 0.00 H new ATOM 0 HG CYS A 20 2.002 1.375 -31.923 1.00 0.00 H new ATOM 254 N GLY A 21 6.103 3.651 -30.696 1.00 0.00 N ATOM 255 CA GLY A 21 7.317 3.127 -30.090 1.00 0.00 C ATOM 256 C GLY A 21 7.152 1.727 -29.541 1.00 0.00 C ATOM 257 O GLY A 21 8.066 1.185 -28.922 1.00 0.00 O ATOM 0 H GLY A 21 5.479 4.135 -30.051 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.115 3.128 -30.832 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.630 3.792 -29.285 1.00 0.00 H new ATOM 261 N CYS A 22 6.002 1.128 -29.783 1.00 0.00 N ATOM 262 CA CYS A 22 5.718 -0.216 -29.294 1.00 0.00 C ATOM 263 C CYS A 22 6.429 -1.292 -30.126 1.00 0.00 C ATOM 264 O CYS A 22 6.103 -2.479 -30.037 1.00 0.00 O ATOM 265 CB CYS A 22 4.221 -0.462 -29.286 1.00 0.00 C ATOM 266 SG CYS A 22 3.282 0.777 -28.371 1.00 0.00 S ATOM 0 H CYS A 22 5.243 1.550 -30.318 1.00 0.00 H new ATOM 0 HA CYS A 22 6.102 -0.284 -28.276 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.862 -0.490 -30.315 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.026 -1.444 -28.854 1.00 0.00 H new ATOM 0 HG CYS A 22 2.827 1.673 -29.196 1.00 0.00 H new ATOM 271 N GLY A 23 7.401 -0.877 -30.929 1.00 0.00 N ATOM 272 CA GLY A 23 8.170 -1.823 -31.712 1.00 0.00 C ATOM 273 C GLY A 23 8.998 -2.726 -30.823 1.00 0.00 C ATOM 274 O GLY A 23 9.262 -3.879 -31.159 1.00 0.00 O ATOM 0 H GLY A 23 7.670 0.099 -31.051 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.497 -2.426 -32.321 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.824 -1.284 -32.398 1.00 0.00 H new ATOM 278 N SER A 24 9.389 -2.198 -29.676 1.00 0.00 N ATOM 279 CA SER A 24 10.154 -2.951 -28.699 1.00 0.00 C ATOM 280 C SER A 24 9.208 -3.652 -27.717 1.00 0.00 C ATOM 281 O SER A 24 9.640 -4.232 -26.718 1.00 0.00 O ATOM 282 CB SER A 24 11.093 -2.004 -27.950 1.00 0.00 C ATOM 283 OG SER A 24 11.869 -1.241 -28.865 1.00 0.00 O ATOM 0 H SER A 24 9.186 -1.238 -29.397 1.00 0.00 H new ATOM 0 HA SER A 24 10.746 -3.711 -29.209 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.513 -1.337 -27.312 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.751 -2.577 -27.297 1.00 0.00 H new ATOM 0 HG SER A 24 12.463 -0.640 -28.369 1.00 0.00 H new ATOM 289 N GLY A 25 7.921 -3.605 -28.025 1.00 0.00 N ATOM 290 CA GLY A 25 6.926 -4.186 -27.170 1.00 0.00 C ATOM 291 C GLY A 25 6.036 -3.122 -26.585 1.00 0.00 C ATOM 292 O GLY A 25 6.443 -1.965 -26.473 1.00 0.00 O ATOM 0 H GLY A 25 7.551 -3.166 -28.868 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.325 -4.898 -27.735 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.410 -4.743 -26.368 1.00 0.00 H new ATOM 296 N CYS A 26 4.829 -3.487 -26.242 1.00 0.00 N ATOM 297 CA CYS A 26 3.894 -2.553 -25.655 1.00 0.00 C ATOM 298 C CYS A 26 3.296 -3.088 -24.358 1.00 0.00 C ATOM 299 O CYS A 26 3.062 -4.288 -24.220 1.00 0.00 O ATOM 300 CB CYS A 26 2.795 -2.220 -26.643 1.00 0.00 C ATOM 301 SG CYS A 26 2.436 -3.526 -27.851 1.00 0.00 S ATOM 0 H CYS A 26 4.464 -4.432 -26.359 1.00 0.00 H new ATOM 0 HA CYS A 26 4.445 -1.644 -25.412 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.883 -1.996 -26.089 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.072 -1.313 -27.181 1.00 0.00 H new ATOM 0 HG CYS A 26 1.481 -3.135 -28.642 1.00 0.00 H new ATOM 306 N ASN A 27 3.055 -2.188 -23.410 1.00 0.00 N ATOM 307 CA ASN A 27 2.467 -2.556 -22.117 1.00 0.00 C ATOM 308 C ASN A 27 0.964 -2.306 -22.095 1.00 0.00 C ATOM 309 O ASN A 27 0.326 -2.424 -21.052 1.00 0.00 O ATOM 310 CB ASN A 27 3.122 -1.766 -20.973 1.00 0.00 C ATOM 311 CG ASN A 27 4.525 -2.231 -20.646 1.00 0.00 C ATOM 312 OD1 ASN A 27 5.504 -1.755 -21.226 1.00 0.00 O ATOM 313 ND2 ASN A 27 4.637 -3.145 -19.704 1.00 0.00 N ATOM 0 H ASN A 27 3.257 -1.193 -23.509 1.00 0.00 H new ATOM 0 HA ASN A 27 2.650 -3.621 -21.977 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.151 -0.710 -21.241 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.502 -1.852 -20.081 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.559 -3.485 -19.430 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.802 -3.513 -19.249 1.00 0.00 H new ATOM 320 N CYS A 28 0.401 -1.964 -23.238 1.00 0.00 N ATOM 321 CA CYS A 28 -1.024 -1.681 -23.325 1.00 0.00 C ATOM 322 C CYS A 28 -1.834 -2.952 -23.576 1.00 0.00 C ATOM 323 O CYS A 28 -1.305 -3.951 -24.074 1.00 0.00 O ATOM 324 CB CYS A 28 -1.290 -0.644 -24.420 1.00 0.00 C ATOM 325 SG CYS A 28 -0.426 -0.963 -25.976 1.00 0.00 S ATOM 0 H CYS A 28 0.906 -1.875 -24.120 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.346 -1.273 -22.367 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.362 -0.606 -24.615 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.998 0.339 -24.051 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.720 -0.032 -26.834 1.00 0.00 H new ATOM 330 N LYS A 29 -3.112 -2.919 -23.201 1.00 0.00 N ATOM 331 CA LYS A 29 -4.013 -4.050 -23.426 1.00 0.00 C ATOM 332 C LYS A 29 -4.352 -4.172 -24.902 1.00 0.00 C ATOM 333 O LYS A 29 -4.049 -3.282 -25.696 1.00 0.00 O ATOM 334 CB LYS A 29 -5.321 -3.892 -22.624 1.00 0.00 C ATOM 335 CG LYS A 29 -5.276 -4.405 -21.183 1.00 0.00 C ATOM 336 CD LYS A 29 -4.224 -3.703 -20.352 1.00 0.00 C ATOM 337 CE LYS A 29 -4.210 -4.218 -18.926 1.00 0.00 C ATOM 338 NZ LYS A 29 -3.092 -3.631 -18.131 1.00 0.00 N ATOM 0 H LYS A 29 -3.548 -2.121 -22.739 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.498 -4.949 -23.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.591 -2.836 -22.607 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.117 -4.416 -23.153 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.253 -4.266 -20.720 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.076 -5.476 -21.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.243 -3.851 -20.803 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.415 -2.630 -20.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.160 -3.982 -18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.118 -5.304 -18.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.857 -4.266 -17.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.258 -3.513 -18.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.381 -2.705 -17.756 1.00 0.00 H new ATOM 352 N GLU A 30 -5.013 -5.255 -25.255 1.00 0.00 N ATOM 353 CA GLU A 30 -5.407 -5.494 -26.631 1.00 0.00 C ATOM 354 C GLU A 30 -6.568 -4.588 -27.029 1.00 0.00 C ATOM 355 O GLU A 30 -6.831 -4.378 -28.208 1.00 0.00 O ATOM 356 CB GLU A 30 -5.779 -6.963 -26.837 1.00 0.00 C ATOM 357 CG GLU A 30 -6.530 -7.216 -28.125 1.00 0.00 C ATOM 358 CD GLU A 30 -6.716 -8.665 -28.426 1.00 0.00 C ATOM 359 OE1 GLU A 30 -7.331 -9.378 -27.606 1.00 0.00 O ATOM 360 OE2 GLU A 30 -6.260 -9.114 -29.501 1.00 0.00 O ATOM 0 H GLU A 30 -5.291 -5.989 -24.604 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.557 -5.260 -27.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.870 -7.565 -26.830 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.389 -7.297 -25.998 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.507 -6.736 -28.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.992 -6.747 -28.949 1.00 0.00 H new ATOM 367 N ASP A 31 -7.237 -4.031 -26.035 1.00 0.00 N ATOM 368 CA ASP A 31 -8.379 -3.139 -26.259 1.00 0.00 C ATOM 369 C ASP A 31 -7.972 -1.910 -27.085 1.00 0.00 C ATOM 370 O ASP A 31 -8.819 -1.208 -27.646 1.00 0.00 O ATOM 371 CB ASP A 31 -8.966 -2.709 -24.917 1.00 0.00 C ATOM 372 CG ASP A 31 -10.200 -1.841 -25.057 1.00 0.00 C ATOM 373 OD1 ASP A 31 -11.292 -2.391 -25.318 1.00 0.00 O ATOM 374 OD2 ASP A 31 -10.090 -0.607 -24.890 1.00 0.00 O ATOM 0 H ASP A 31 -7.011 -4.178 -25.051 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.135 -3.682 -26.826 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.218 -3.597 -24.337 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.208 -2.164 -24.354 1.00 0.00 H new ATOM 379 N CYS A 32 -6.672 -1.672 -27.166 1.00 0.00 N ATOM 380 CA CYS A 32 -6.128 -0.563 -27.920 1.00 0.00 C ATOM 381 C CYS A 32 -6.488 -0.693 -29.409 1.00 0.00 C ATOM 382 O CYS A 32 -6.328 -1.759 -30.011 1.00 0.00 O ATOM 383 CB CYS A 32 -4.615 -0.520 -27.739 1.00 0.00 C ATOM 384 SG CYS A 32 -3.847 0.973 -28.368 1.00 0.00 S ATOM 0 H CYS A 32 -5.965 -2.247 -26.707 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.560 0.366 -27.549 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.383 -0.616 -26.678 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.175 -1.382 -28.241 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.564 0.919 -28.167 1.00 0.00 H new ATOM 389 N ARG A 33 -6.974 0.391 -29.993 1.00 0.00 N ATOM 390 CA ARG A 33 -7.416 0.393 -31.387 1.00 0.00 C ATOM 391 C ARG A 33 -6.343 1.016 -32.302 1.00 0.00 C ATOM 392 O ARG A 33 -6.649 1.551 -33.369 1.00 0.00 O ATOM 393 CB ARG A 33 -8.727 1.190 -31.496 1.00 0.00 C ATOM 394 CG ARG A 33 -9.501 0.968 -32.784 1.00 0.00 C ATOM 395 CD ARG A 33 -10.147 -0.398 -32.808 1.00 0.00 C ATOM 396 NE ARG A 33 -10.832 -0.657 -34.073 1.00 0.00 N ATOM 397 CZ ARG A 33 -11.710 -1.641 -34.267 1.00 0.00 C ATOM 398 NH1 ARG A 33 -12.007 -2.478 -33.278 1.00 0.00 N ATOM 399 NH2 ARG A 33 -12.295 -1.786 -35.452 1.00 0.00 N ATOM 0 H ARG A 33 -7.075 1.290 -29.522 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.579 -0.635 -31.710 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.367 0.927 -30.654 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.499 2.252 -31.404 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.267 1.737 -32.888 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.830 1.070 -33.637 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.387 -1.162 -32.644 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.860 -0.477 -31.987 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.624 -0.043 -34.861 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.563 -2.369 -32.366 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.679 -3.230 -33.431 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.072 -1.144 -36.213 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.967 -2.539 -35.600 1.00 0.00 H new ATOM 413 N CYS A 34 -5.092 0.903 -31.903 1.00 0.00 N ATOM 414 CA CYS A 34 -3.998 1.510 -32.655 1.00 0.00 C ATOM 415 C CYS A 34 -3.527 0.576 -33.749 1.00 0.00 C ATOM 416 O CYS A 34 -2.955 -0.461 -33.456 1.00 0.00 O ATOM 417 CB CYS A 34 -2.823 1.823 -31.726 1.00 0.00 C ATOM 418 SG CYS A 34 -1.594 2.940 -32.430 1.00 0.00 S ATOM 0 H CYS A 34 -4.802 0.399 -31.065 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.366 2.434 -33.101 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.210 2.261 -30.806 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.333 0.889 -31.453 1.00 0.00 H new ATOM 0 HG CYS A 34 -0.645 3.142 -31.565 1.00 0.00 H new ATOM 423 N GLN A 35 -3.756 0.950 -35.017 1.00 0.00 N ATOM 424 CA GLN A 35 -3.326 0.117 -36.158 1.00 0.00 C ATOM 425 C GLN A 35 -1.853 -0.256 -36.024 1.00 0.00 C ATOM 426 O GLN A 35 -1.453 -1.365 -36.371 1.00 0.00 O ATOM 427 CB GLN A 35 -3.537 0.851 -37.498 1.00 0.00 C ATOM 428 CG GLN A 35 -4.987 1.026 -37.927 1.00 0.00 C ATOM 429 CD GLN A 35 -5.664 -0.289 -38.271 1.00 0.00 C ATOM 430 OE1 GLN A 35 -5.616 -0.752 -39.408 1.00 0.00 O ATOM 431 NE2 GLN A 35 -6.314 -0.884 -37.285 1.00 0.00 N ATOM 0 H GLN A 35 -4.231 1.814 -35.280 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.936 -0.786 -36.149 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.075 1.836 -37.430 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.008 0.304 -38.279 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.541 1.516 -37.126 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.027 1.687 -38.793 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.327 -0.463 -36.356 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.802 -1.764 -37.454 1.00 0.00 H new ATOM 440 N SER A 36 -1.077 0.677 -35.482 1.00 0.00 N ATOM 441 CA SER A 36 0.360 0.528 -35.311 1.00 0.00 C ATOM 442 C SER A 36 0.761 -0.796 -34.641 1.00 0.00 C ATOM 443 O SER A 36 1.658 -1.488 -35.120 1.00 0.00 O ATOM 444 CB SER A 36 0.903 1.706 -34.518 1.00 0.00 C ATOM 445 OG SER A 36 0.558 2.938 -35.140 1.00 0.00 O ATOM 0 H SER A 36 -1.436 1.570 -35.145 1.00 0.00 H new ATOM 0 HA SER A 36 0.799 0.509 -36.308 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.504 1.682 -33.504 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.987 1.626 -34.436 1.00 0.00 H new ATOM 0 HG SER A 36 -0.162 3.369 -34.635 1.00 0.00 H new ATOM 451 N CYS A 37 0.107 -1.146 -33.548 1.00 0.00 N ATOM 452 CA CYS A 37 0.450 -2.373 -32.840 1.00 0.00 C ATOM 453 C CYS A 37 -0.700 -3.379 -32.855 1.00 0.00 C ATOM 454 O CYS A 37 -0.588 -4.471 -32.295 1.00 0.00 O ATOM 455 CB CYS A 37 0.904 -2.064 -31.400 1.00 0.00 C ATOM 456 SG CYS A 37 -0.202 -0.970 -30.475 1.00 0.00 S ATOM 0 H CYS A 37 -0.655 -0.609 -33.133 1.00 0.00 H new ATOM 0 HA CYS A 37 1.284 -2.835 -33.368 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.002 -3.003 -30.855 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.895 -1.611 -31.436 1.00 0.00 H new ATOM 0 HG CYS A 37 0.274 -0.781 -29.280 1.00 0.00 H new ATOM 461 N LYS A 38 -1.793 -3.017 -33.512 1.00 0.00 N ATOM 462 CA LYS A 38 -2.952 -3.872 -33.594 1.00 0.00 C ATOM 463 C LYS A 38 -2.902 -4.755 -34.849 1.00 0.00 C ATOM 464 O LYS A 38 -3.249 -5.931 -34.799 1.00 0.00 O ATOM 465 CB LYS A 38 -4.206 -3.018 -33.575 1.00 0.00 C ATOM 466 CG LYS A 38 -5.472 -3.789 -33.412 1.00 0.00 C ATOM 467 CD LYS A 38 -6.638 -2.865 -33.197 1.00 0.00 C ATOM 468 CE LYS A 38 -7.902 -3.491 -33.739 1.00 0.00 C ATOM 469 NZ LYS A 38 -8.282 -4.742 -33.021 1.00 0.00 N ATOM 0 H LYS A 38 -1.894 -2.126 -33.998 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.963 -4.540 -32.733 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.127 -2.296 -32.762 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.258 -2.449 -34.503 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.646 -4.401 -34.297 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.382 -4.470 -32.566 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.754 -2.654 -32.134 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.453 -1.912 -33.693 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.718 -2.773 -33.665 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.767 -3.712 -34.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.182 -5.100 -33.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.540 -5.458 -33.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.389 -4.541 -32.006 1.00 0.00 H new ATOM 528 N CYS A 43 -4.801 -4.257 -42.126 1.00 0.00 N ATOM 529 CA CYS A 43 -5.788 -5.070 -42.803 1.00 0.00 C ATOM 530 C CYS A 43 -6.949 -5.368 -41.852 1.00 0.00 C ATOM 531 O CYS A 43 -6.806 -5.234 -40.634 1.00 0.00 O ATOM 532 CB CYS A 43 -5.151 -6.364 -43.312 1.00 0.00 C ATOM 533 SG CYS A 43 -5.774 -6.917 -44.947 1.00 0.00 S ATOM 0 HA CYS A 43 -6.175 -4.525 -43.664 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.072 -6.224 -43.375 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.328 -7.154 -42.582 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.173 -8.017 -45.291 1.00 0.00 H new ATOM 538 N THR A 44 -8.080 -5.774 -42.401 1.00 0.00 N ATOM 539 CA THR A 44 -9.275 -6.014 -41.609 1.00 0.00 C ATOM 540 C THR A 44 -9.206 -7.330 -40.832 1.00 0.00 C ATOM 541 O THR A 44 -8.519 -8.276 -41.235 1.00 0.00 O ATOM 542 CB THR A 44 -10.526 -6.014 -42.503 1.00 0.00 C ATOM 543 OG1 THR A 44 -10.303 -6.859 -43.638 1.00 0.00 O ATOM 544 CG2 THR A 44 -10.855 -4.604 -42.973 1.00 0.00 C ATOM 0 H THR A 44 -8.197 -5.946 -43.400 1.00 0.00 H new ATOM 0 HA THR A 44 -9.338 -5.201 -40.886 1.00 0.00 H new ATOM 0 HB THR A 44 -11.368 -6.390 -41.922 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.101 -6.860 -44.207 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.744 -4.629 -43.604 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.041 -3.967 -42.109 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.016 -4.206 -43.543 1.00 0.00 H new ATOM 552 N ASP A 45 -9.929 -7.384 -39.718 1.00 0.00 N ATOM 553 CA ASP A 45 -9.979 -8.580 -38.879 1.00 0.00 C ATOM 554 C ASP A 45 -10.787 -9.677 -39.553 1.00 0.00 C ATOM 555 O ASP A 45 -10.594 -10.859 -39.282 1.00 0.00 O ATOM 556 CB ASP A 45 -10.586 -8.260 -37.508 1.00 0.00 C ATOM 557 CG ASP A 45 -12.053 -7.882 -37.575 1.00 0.00 C ATOM 558 OD1 ASP A 45 -12.353 -6.707 -37.867 1.00 0.00 O ATOM 559 OD2 ASP A 45 -12.911 -8.754 -37.326 1.00 0.00 O ATOM 0 H ASP A 45 -10.493 -6.608 -39.372 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.956 -8.929 -38.738 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.470 -9.126 -36.856 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.028 -7.442 -37.053 1.00 0.00 H new ATOM 564 N VAL A 46 -11.685 -9.275 -40.438 1.00 0.00 N ATOM 565 CA VAL A 46 -12.529 -10.213 -41.170 1.00 0.00 C ATOM 566 C VAL A 46 -11.689 -11.036 -42.141 1.00 0.00 C ATOM 567 O VAL A 46 -12.032 -12.171 -42.484 1.00 0.00 O ATOM 568 CB VAL A 46 -13.643 -9.468 -41.941 1.00 0.00 C ATOM 569 CG1 VAL A 46 -14.618 -10.447 -42.589 1.00 0.00 C ATOM 570 CG2 VAL A 46 -14.375 -8.520 -41.006 1.00 0.00 C ATOM 0 H VAL A 46 -11.851 -8.296 -40.670 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.996 -10.881 -40.446 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.179 -8.889 -42.740 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.389 -9.892 -43.123 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.080 -11.087 -43.289 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.082 -11.062 -41.818 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.158 -7.999 -41.556 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.821 -9.087 -40.189 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.671 -7.793 -40.601 1.00 0.00 H new ATOM 580 N CYS A 47 -10.582 -10.465 -42.555 1.00 0.00 N ATOM 581 CA CYS A 47 -9.667 -11.132 -43.450 1.00 0.00 C ATOM 582 C CYS A 47 -8.790 -12.120 -42.671 1.00 0.00 C ATOM 583 O CYS A 47 -8.311 -13.106 -43.214 1.00 0.00 O ATOM 584 CB CYS A 47 -8.808 -10.093 -44.171 1.00 0.00 C ATOM 585 SG CYS A 47 -7.656 -10.778 -45.368 1.00 0.00 S ATOM 0 H CYS A 47 -10.291 -9.527 -42.281 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.232 -11.695 -44.193 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.465 -9.388 -44.680 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.246 -9.526 -43.428 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.374 -12.005 -45.045 1.00 0.00 H new ATOM 590 N LYS A 48 -8.605 -11.856 -41.383 1.00 0.00 N ATOM 591 CA LYS A 48 -7.802 -12.721 -40.525 1.00 0.00 C ATOM 592 C LYS A 48 -8.628 -13.865 -39.958 1.00 0.00 C ATOM 593 O LYS A 48 -8.201 -14.567 -39.040 1.00 0.00 O ATOM 594 CB LYS A 48 -7.197 -11.903 -39.410 1.00 0.00 C ATOM 595 CG LYS A 48 -6.346 -10.788 -39.930 1.00 0.00 C ATOM 596 CD LYS A 48 -5.852 -9.887 -38.829 1.00 0.00 C ATOM 597 CE LYS A 48 -4.860 -8.897 -39.383 1.00 0.00 C ATOM 598 NZ LYS A 48 -3.559 -9.539 -39.673 1.00 0.00 N ATOM 0 H LYS A 48 -9.002 -11.046 -40.907 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.006 -13.160 -41.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.993 -11.492 -38.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.596 -12.550 -38.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.493 -11.204 -40.466 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.919 -10.201 -40.648 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.691 -9.359 -38.375 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.386 -10.481 -38.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.259 -8.452 -40.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.716 -8.086 -38.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.829 -8.807 -39.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.298 -10.166 -38.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.634 -10.096 -40.548 1.00 0.00 H new ATOM 612 N GLN A 49 -9.807 -14.039 -40.505 1.00 0.00 N ATOM 613 CA GLN A 49 -10.685 -15.116 -40.095 1.00 0.00 C ATOM 614 C GLN A 49 -10.216 -16.440 -40.658 1.00 0.00 C ATOM 615 O GLN A 49 -9.488 -16.484 -41.650 1.00 0.00 O ATOM 616 CB GLN A 49 -12.104 -14.860 -40.566 1.00 0.00 C ATOM 617 CG GLN A 49 -12.813 -13.758 -39.830 1.00 0.00 C ATOM 618 CD GLN A 49 -14.265 -13.639 -40.250 1.00 0.00 C ATOM 619 OE1 GLN A 49 -14.877 -14.609 -40.691 1.00 0.00 O ATOM 620 NE2 GLN A 49 -14.837 -12.473 -40.059 1.00 0.00 N ATOM 0 H GLN A 49 -10.186 -13.444 -41.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.663 -15.158 -39.006 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.083 -14.616 -41.628 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.680 -15.779 -40.462 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.760 -13.945 -38.758 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.303 -12.812 -40.014 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.293 -11.692 -39.691 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.825 -12.348 -40.279 1.00 0.00 H new ATOM 629 N THR A 50 -10.632 -17.512 -40.023 1.00 0.00 N ATOM 630 CA THR A 50 -10.324 -18.842 -40.479 1.00 0.00 C ATOM 631 C THR A 50 -11.504 -19.774 -40.201 1.00 0.00 C ATOM 632 O THR A 50 -11.771 -20.116 -39.046 1.00 0.00 O ATOM 633 CB THR A 50 -9.065 -19.399 -39.804 1.00 0.00 C ATOM 634 OG1 THR A 50 -7.974 -18.483 -39.991 1.00 0.00 O ATOM 635 CG2 THR A 50 -8.709 -20.748 -40.403 1.00 0.00 C ATOM 0 H THR A 50 -11.195 -17.483 -39.173 1.00 0.00 H new ATOM 0 HA THR A 50 -10.136 -18.786 -41.551 1.00 0.00 H new ATOM 0 HB THR A 50 -9.256 -19.523 -38.738 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.170 -18.839 -39.558 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.814 -21.137 -39.918 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.535 -21.443 -40.251 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.523 -20.634 -41.471 1.00 0.00 H new ATOM 643 N PRO A 51 -12.247 -20.176 -41.253 1.00 0.00 N ATOM 644 CA PRO A 51 -11.975 -19.769 -42.637 1.00 0.00 C ATOM 645 C PRO A 51 -12.230 -18.285 -42.845 1.00 0.00 C ATOM 646 O PRO A 51 -13.008 -17.668 -42.108 1.00 0.00 O ATOM 647 CB PRO A 51 -12.963 -20.600 -43.470 1.00 0.00 C ATOM 648 CG PRO A 51 -13.487 -21.637 -42.537 1.00 0.00 C ATOM 649 CD PRO A 51 -13.413 -21.039 -41.167 1.00 0.00 C ATOM 0 HA PRO A 51 -10.934 -19.934 -42.913 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.769 -19.978 -43.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.468 -21.056 -44.328 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.513 -21.906 -42.790 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.894 -22.550 -42.596 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -14.314 -20.477 -40.922 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.295 -21.803 -40.398 1.00 0.00 H new ATOM 657 N CYS A 52 -11.575 -17.718 -43.835 1.00 0.00 N ATOM 658 CA CYS A 52 -11.672 -16.303 -44.101 1.00 0.00 C ATOM 659 C CYS A 52 -13.100 -15.907 -44.468 1.00 0.00 C ATOM 660 O CYS A 52 -13.753 -16.575 -45.272 1.00 0.00 O ATOM 661 CB CYS A 52 -10.719 -15.920 -45.207 1.00 0.00 C ATOM 662 SG CYS A 52 -10.403 -14.168 -45.291 1.00 0.00 S ATOM 0 H CYS A 52 -10.963 -18.224 -44.475 1.00 0.00 H new ATOM 0 HA CYS A 52 -11.399 -15.765 -43.193 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.775 -16.446 -45.062 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.127 -16.255 -46.161 1.00 0.00 H new ATOM 0 HG CYS A 52 -9.511 -13.845 -44.402 1.00 0.00 H new ATOM 667 N GLY A 53 -13.576 -14.816 -43.888 1.00 0.00 N ATOM 668 CA GLY A 53 -14.939 -14.398 -44.126 1.00 0.00 C ATOM 669 C GLY A 53 -15.044 -13.075 -44.846 1.00 0.00 C ATOM 670 O GLY A 53 -16.138 -12.515 -44.957 1.00 0.00 O ATOM 0 H GLY A 53 -13.044 -14.215 -43.259 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.449 -15.163 -44.711 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.461 -14.326 -43.172 1.00 0.00 H new ATOM 674 N CYS A 54 -13.926 -12.568 -45.355 1.00 0.00 N ATOM 675 CA CYS A 54 -13.940 -11.280 -46.046 1.00 0.00 C ATOM 676 C CYS A 54 -14.805 -11.350 -47.293 1.00 0.00 C ATOM 677 O CYS A 54 -15.561 -10.432 -47.585 1.00 0.00 O ATOM 678 CB CYS A 54 -12.532 -10.825 -46.418 1.00 0.00 C ATOM 679 SG CYS A 54 -12.428 -9.053 -46.792 1.00 0.00 S ATOM 0 H CYS A 54 -13.012 -13.019 -45.305 1.00 0.00 H new ATOM 0 HA CYS A 54 -14.362 -10.548 -45.357 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.854 -11.057 -45.597 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -12.191 -11.393 -47.283 1.00 0.00 H new ATOM 0 HG CYS A 54 -11.810 -8.884 -47.923 1.00 0.00 H new ATOM 684 N ALA A 55 -14.721 -12.466 -48.003 1.00 0.00 N ATOM 685 CA ALA A 55 -15.487 -12.657 -49.229 1.00 0.00 C ATOM 686 C ALA A 55 -16.986 -12.759 -48.941 1.00 0.00 C ATOM 687 O ALA A 55 -17.808 -12.619 -49.840 1.00 0.00 O ATOM 688 CB ALA A 55 -15.001 -13.896 -49.965 1.00 0.00 C ATOM 0 H ALA A 55 -14.128 -13.257 -47.751 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.330 -11.784 -49.863 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.581 -14.027 -50.879 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.947 -13.779 -50.218 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.126 -14.771 -49.327 1.00 0.00 H new ATOM 694 N THR A 56 -17.329 -12.998 -47.685 1.00 0.00 N ATOM 695 CA THR A 56 -18.716 -13.112 -47.282 1.00 0.00 C ATOM 696 C THR A 56 -19.252 -11.766 -46.778 1.00 0.00 C ATOM 697 O THR A 56 -20.341 -11.338 -47.159 1.00 0.00 O ATOM 698 CB THR A 56 -18.876 -14.171 -46.174 1.00 0.00 C ATOM 699 OG1 THR A 56 -18.260 -15.399 -46.593 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.348 -14.424 -45.868 1.00 0.00 C ATOM 0 H THR A 56 -16.659 -13.117 -46.925 1.00 0.00 H new ATOM 0 HA THR A 56 -19.289 -13.418 -48.157 1.00 0.00 H new ATOM 0 HB THR A 56 -18.393 -13.799 -45.270 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.360 -16.072 -45.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.432 -15.175 -45.083 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.815 -13.497 -45.535 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.850 -14.781 -46.767 1.00 0.00 H new ATOM 708 N SER A 57 -18.476 -11.104 -45.932 1.00 0.00 N ATOM 709 CA SER A 57 -18.885 -9.836 -45.351 1.00 0.00 C ATOM 710 C SER A 57 -18.733 -8.687 -46.351 1.00 0.00 C ATOM 711 O SER A 57 -19.610 -7.829 -46.462 1.00 0.00 O ATOM 712 CB SER A 57 -18.067 -9.551 -44.086 1.00 0.00 C ATOM 713 OG SER A 57 -18.485 -8.352 -43.451 1.00 0.00 O ATOM 0 H SER A 57 -17.556 -11.427 -45.632 1.00 0.00 H new ATOM 0 HA SER A 57 -19.940 -9.910 -45.088 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.168 -10.385 -43.392 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.011 -9.477 -44.344 1.00 0.00 H new ATOM 0 HG SER A 57 -17.944 -8.201 -42.648 1.00 0.00 H new ATOM 719 N GLY A 58 -17.634 -8.685 -47.074 1.00 0.00 N ATOM 720 CA GLY A 58 -17.366 -7.627 -48.016 1.00 0.00 C ATOM 721 C GLY A 58 -15.887 -7.390 -48.154 1.00 0.00 C ATOM 722 O GLY A 58 -15.256 -6.828 -47.255 1.00 0.00 O ATOM 0 H GLY A 58 -16.913 -9.405 -47.026 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.789 -7.884 -48.987 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -17.856 -6.710 -47.688 1.00 0.00 H new ATOM 726 N CYS A 59 -15.334 -7.835 -49.264 1.00 0.00 N ATOM 727 CA CYS A 59 -13.912 -7.721 -49.525 1.00 0.00 C ATOM 728 C CYS A 59 -13.492 -6.251 -49.595 1.00 0.00 C ATOM 729 O CYS A 59 -13.953 -5.503 -50.457 1.00 0.00 O ATOM 730 CB CYS A 59 -13.581 -8.441 -50.826 1.00 0.00 C ATOM 731 SG CYS A 59 -11.827 -8.692 -51.103 1.00 0.00 S ATOM 0 H CYS A 59 -15.859 -8.287 -50.013 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.358 -8.185 -48.709 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -14.080 -9.410 -50.829 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.991 -7.869 -51.659 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.650 -9.313 -52.231 1.00 0.00 H new ATOM 736 N ASN A 60 -12.619 -5.843 -48.685 1.00 0.00 N ATOM 737 CA ASN A 60 -12.206 -4.442 -48.600 1.00 0.00 C ATOM 738 C ASN A 60 -10.749 -4.237 -49.016 1.00 0.00 C ATOM 739 O ASN A 60 -10.397 -3.199 -49.582 1.00 0.00 O ATOM 740 CB ASN A 60 -12.429 -3.913 -47.174 1.00 0.00 C ATOM 741 CG ASN A 60 -11.997 -2.463 -47.000 1.00 0.00 C ATOM 742 OD1 ASN A 60 -12.770 -1.537 -47.256 1.00 0.00 O ATOM 743 ND2 ASN A 60 -10.776 -2.256 -46.538 1.00 0.00 N ATOM 0 H ASN A 60 -12.182 -6.456 -47.996 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.823 -3.880 -49.301 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.485 -4.004 -46.920 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.877 -4.537 -46.471 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.444 -1.304 -46.382 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.165 -3.048 -46.338 1.00 0.00 H new ATOM 750 N CYS A 61 -9.912 -5.219 -48.746 1.00 0.00 N ATOM 751 CA CYS A 61 -8.489 -5.110 -49.042 1.00 0.00 C ATOM 752 C CYS A 61 -8.212 -5.177 -50.547 1.00 0.00 C ATOM 753 O CYS A 61 -9.132 -5.325 -51.358 1.00 0.00 O ATOM 754 CB CYS A 61 -7.726 -6.201 -48.311 1.00 0.00 C ATOM 755 SG CYS A 61 -8.414 -7.838 -48.562 1.00 0.00 S ATOM 0 H CYS A 61 -10.189 -6.104 -48.322 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.147 -4.135 -48.695 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.688 -6.195 -48.645 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.719 -5.977 -47.244 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.534 -7.943 -47.911 1.00 0.00 H new ATOM 760 N THR A 62 -6.948 -5.061 -50.912 1.00 0.00 N ATOM 761 CA THR A 62 -6.548 -5.074 -52.301 1.00 0.00 C ATOM 762 C THR A 62 -6.006 -6.438 -52.726 1.00 0.00 C ATOM 763 O THR A 62 -5.874 -7.352 -51.912 1.00 0.00 O ATOM 764 CB THR A 62 -5.492 -3.995 -52.567 1.00 0.00 C ATOM 765 OG1 THR A 62 -4.526 -3.991 -51.505 1.00 0.00 O ATOM 766 CG2 THR A 62 -6.139 -2.626 -52.676 1.00 0.00 C ATOM 0 H THR A 62 -6.175 -4.956 -50.255 1.00 0.00 H new ATOM 0 HA THR A 62 -7.439 -4.865 -52.893 1.00 0.00 H new ATOM 0 HB THR A 62 -4.996 -4.220 -53.511 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.852 -3.302 -51.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.372 -1.875 -52.865 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.856 -2.627 -53.497 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.654 -2.392 -51.744 1.00 0.00 H new ATOM 774 N ASP A 63 -5.675 -6.556 -54.010 1.00 0.00 N ATOM 775 CA ASP A 63 -5.172 -7.806 -54.573 1.00 0.00 C ATOM 776 C ASP A 63 -3.710 -8.008 -54.248 1.00 0.00 C ATOM 777 O ASP A 63 -3.144 -9.057 -54.520 1.00 0.00 O ATOM 778 CB ASP A 63 -5.396 -7.852 -56.083 1.00 0.00 C ATOM 779 CG ASP A 63 -6.861 -7.889 -56.442 1.00 0.00 C ATOM 780 OD1 ASP A 63 -7.495 -8.944 -56.248 1.00 0.00 O ATOM 781 OD2 ASP A 63 -7.391 -6.857 -56.919 1.00 0.00 O ATOM 0 H ASP A 63 -5.747 -5.794 -54.684 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.733 -8.621 -54.116 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.933 -6.979 -56.544 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.901 -8.731 -56.495 1.00 0.00 H new ATOM 786 N ASP A 64 -3.103 -6.989 -53.674 1.00 0.00 N ATOM 787 CA ASP A 64 -1.712 -7.053 -53.228 1.00 0.00 C ATOM 788 C ASP A 64 -1.602 -7.931 -51.977 1.00 0.00 C ATOM 789 O ASP A 64 -0.507 -8.268 -51.524 1.00 0.00 O ATOM 790 CB ASP A 64 -1.199 -5.633 -52.931 1.00 0.00 C ATOM 791 CG ASP A 64 0.229 -5.599 -52.419 1.00 0.00 C ATOM 792 OD1 ASP A 64 1.159 -5.569 -53.247 1.00 0.00 O ATOM 793 OD2 ASP A 64 0.431 -5.591 -51.182 1.00 0.00 O ATOM 0 H ASP A 64 -3.553 -6.090 -53.500 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.101 -7.493 -54.016 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.265 -5.034 -53.839 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.852 -5.166 -52.193 1.00 0.00 H new ATOM 798 N CYS A 65 -2.746 -8.303 -51.437 1.00 0.00 N ATOM 799 CA CYS A 65 -2.809 -9.115 -50.246 1.00 0.00 C ATOM 800 C CYS A 65 -2.388 -10.555 -50.547 1.00 0.00 C ATOM 801 O CYS A 65 -2.633 -11.069 -51.639 1.00 0.00 O ATOM 802 CB CYS A 65 -4.225 -9.094 -49.688 1.00 0.00 C ATOM 803 SG CYS A 65 -4.340 -9.602 -47.970 1.00 0.00 S ATOM 0 H CYS A 65 -3.658 -8.048 -51.816 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.120 -8.704 -49.508 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.628 -8.086 -49.786 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.853 -9.749 -50.293 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.580 -9.550 -47.584 1.00 0.00 H new ATOM 808 N LYS A 66 -1.780 -11.209 -49.562 1.00 0.00 N ATOM 809 CA LYS A 66 -1.323 -12.590 -49.721 1.00 0.00 C ATOM 810 C LYS A 66 -2.433 -13.563 -49.348 1.00 0.00 C ATOM 811 O LYS A 66 -2.185 -14.605 -48.747 1.00 0.00 O ATOM 812 CB LYS A 66 -0.077 -12.868 -48.853 1.00 0.00 C ATOM 813 CG LYS A 66 1.143 -12.030 -49.211 1.00 0.00 C ATOM 814 CD LYS A 66 1.127 -10.679 -48.515 1.00 0.00 C ATOM 815 CE LYS A 66 2.165 -9.741 -49.108 1.00 0.00 C ATOM 816 NZ LYS A 66 1.835 -9.365 -50.509 1.00 0.00 N ATOM 0 H LYS A 66 -1.591 -10.807 -48.644 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.055 -12.732 -50.768 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.331 -12.689 -47.808 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.184 -13.923 -48.942 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.048 -12.570 -48.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.178 -11.882 -50.290 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.137 -10.233 -48.605 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.321 -10.813 -47.451 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.233 -8.841 -48.497 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.144 -10.219 -49.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.592 -8.766 -50.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.745 -10.225 -51.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.937 -8.841 -50.525 1.00 0.00 H new ATOM 830 N CYS A 67 -3.649 -13.232 -49.725 1.00 0.00 N ATOM 831 CA CYS A 67 -4.778 -14.059 -49.390 1.00 0.00 C ATOM 832 C CYS A 67 -5.545 -14.455 -50.646 1.00 0.00 C ATOM 833 O CYS A 67 -5.911 -13.606 -51.454 1.00 0.00 O ATOM 834 CB CYS A 67 -5.689 -13.328 -48.411 1.00 0.00 C ATOM 835 SG CYS A 67 -6.833 -14.407 -47.537 1.00 0.00 S ATOM 0 H CYS A 67 -3.877 -12.396 -50.263 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.415 -14.970 -48.915 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.074 -12.800 -47.682 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.259 -12.574 -48.954 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.564 -13.700 -46.727 1.00 0.00 H new ATOM 840 N GLN A 68 -5.789 -15.748 -50.801 1.00 0.00 N ATOM 841 CA GLN A 68 -6.477 -16.270 -51.979 1.00 0.00 C ATOM 842 C GLN A 68 -7.943 -16.563 -51.691 1.00 0.00 C ATOM 843 O GLN A 68 -8.666 -17.069 -52.554 1.00 0.00 O ATOM 844 CB GLN A 68 -5.781 -17.540 -52.479 1.00 0.00 C ATOM 845 CG GLN A 68 -4.383 -17.302 -53.018 1.00 0.00 C ATOM 846 CD GLN A 68 -4.378 -16.358 -54.198 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.337 -16.297 -54.970 1.00 0.00 O ATOM 848 NE2 GLN A 68 -3.294 -15.623 -54.356 1.00 0.00 N ATOM 0 H GLN A 68 -5.520 -16.461 -50.123 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.434 -15.503 -52.752 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -5.727 -18.259 -51.662 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.390 -17.992 -53.262 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.755 -16.894 -52.226 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.943 -18.254 -53.315 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.522 -15.704 -53.694 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.228 -14.974 -55.140 1.00 0.00 H new ATOM 857 N SER A 69 -8.383 -16.246 -50.490 1.00 0.00 N ATOM 858 CA SER A 69 -9.756 -16.501 -50.099 1.00 0.00 C ATOM 859 C SER A 69 -10.717 -15.467 -50.703 1.00 0.00 C ATOM 860 O SER A 69 -11.697 -15.824 -51.355 1.00 0.00 O ATOM 861 CB SER A 69 -9.878 -16.524 -48.575 1.00 0.00 C ATOM 862 OG SER A 69 -9.030 -17.517 -48.013 1.00 0.00 O ATOM 0 H SER A 69 -7.810 -15.811 -49.767 1.00 0.00 H new ATOM 0 HA SER A 69 -10.038 -17.478 -50.490 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.617 -15.546 -48.171 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.912 -16.721 -48.292 1.00 0.00 H new ATOM 0 HG SER A 69 -9.123 -17.513 -47.037 1.00 0.00 H new ATOM 868 N CYS A 70 -10.428 -14.195 -50.490 1.00 0.00 N ATOM 869 CA CYS A 70 -11.286 -13.121 -50.979 1.00 0.00 C ATOM 870 C CYS A 70 -10.716 -12.426 -52.227 1.00 0.00 C ATOM 871 O CYS A 70 -11.465 -12.077 -53.139 1.00 0.00 O ATOM 872 CB CYS A 70 -11.501 -12.121 -49.872 1.00 0.00 C ATOM 873 SG CYS A 70 -10.059 -11.922 -48.834 1.00 0.00 S ATOM 0 H CYS A 70 -9.604 -13.876 -49.980 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.236 -13.563 -51.280 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.768 -11.157 -50.305 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.344 -12.439 -49.259 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.231 -10.905 -48.043 1.00 0.00 H new ATOM 878 N SER A 71 -9.401 -12.231 -52.262 1.00 0.00 N ATOM 879 CA SER A 71 -8.749 -11.553 -53.389 1.00 0.00 C ATOM 880 C SER A 71 -8.882 -12.357 -54.690 1.00 0.00 C ATOM 881 O SER A 71 -9.246 -13.543 -54.666 1.00 0.00 O ATOM 882 CB SER A 71 -7.276 -11.293 -53.067 1.00 0.00 C ATOM 883 OG SER A 71 -7.149 -10.516 -51.883 1.00 0.00 O ATOM 0 H SER A 71 -8.762 -12.531 -51.526 1.00 0.00 H new ATOM 0 HA SER A 71 -9.254 -10.599 -53.542 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.753 -12.241 -52.943 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.803 -10.774 -53.901 1.00 0.00 H new ATOM 0 HG SER A 71 -6.723 -11.054 -51.183 1.00 0.00 H new ATOM 889 N THR A 72 -8.588 -11.707 -55.819 1.00 0.00 N ATOM 890 CA THR A 72 -8.708 -12.339 -57.127 1.00 0.00 C ATOM 891 C THR A 72 -7.799 -13.554 -57.253 1.00 0.00 C ATOM 892 O THR A 72 -6.583 -13.469 -57.023 1.00 0.00 O ATOM 893 CB THR A 72 -8.386 -11.356 -58.274 1.00 0.00 C ATOM 894 OG1 THR A 72 -7.102 -10.752 -58.066 1.00 0.00 O ATOM 895 CG2 THR A 72 -9.446 -10.271 -58.385 1.00 0.00 C ATOM 0 H THR A 72 -8.264 -10.740 -55.849 1.00 0.00 H new ATOM 0 HA THR A 72 -9.747 -12.657 -57.211 1.00 0.00 H new ATOM 0 HB THR A 72 -8.374 -11.925 -59.204 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.151 -10.131 -57.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.191 -9.595 -59.201 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.416 -10.728 -58.582 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.492 -9.711 -57.451 1.00 0.00 H new ATOM 903 N ALA A 73 -8.386 -14.677 -57.613 1.00 0.00 N ATOM 904 CA ALA A 73 -7.634 -15.889 -57.817 1.00 0.00 C ATOM 905 C ALA A 73 -6.921 -15.835 -59.158 1.00 0.00 C ATOM 906 O ALA A 73 -7.229 -14.989 -60.001 1.00 0.00 O ATOM 907 CB ALA A 73 -8.547 -17.104 -57.743 1.00 0.00 C ATOM 0 H ALA A 73 -9.389 -14.771 -57.770 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.889 -15.978 -57.027 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.961 -18.010 -57.899 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.021 -17.144 -56.762 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.314 -17.030 -58.514 1.00 0.00 H new ATOM 913 N CYS A 74 -5.969 -16.717 -59.345 1.00 0.00 N ATOM 914 CA CYS A 74 -5.209 -16.772 -60.578 1.00 0.00 C ATOM 915 C CYS A 74 -6.099 -17.214 -61.735 1.00 0.00 C ATOM 916 O CYS A 74 -6.958 -18.084 -61.565 1.00 0.00 O ATOM 917 CB CYS A 74 -4.059 -17.733 -60.414 1.00 0.00 C ATOM 918 SG CYS A 74 -2.646 -17.343 -61.408 1.00 0.00 S ATOM 0 H CYS A 74 -5.697 -17.415 -58.653 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.823 -15.778 -60.803 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.760 -17.750 -59.366 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.400 -18.738 -60.664 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.708 -16.851 -60.655 1.00 0.00 H new ATOM 923 N LYS A 75 -5.889 -16.623 -62.904 1.00 0.00 N ATOM 924 CA LYS A 75 -6.722 -16.922 -64.062 1.00 0.00 C ATOM 925 C LYS A 75 -6.027 -17.881 -65.027 1.00 0.00 C ATOM 926 O LYS A 75 -6.653 -18.396 -65.958 1.00 0.00 O ATOM 927 CB LYS A 75 -7.121 -15.633 -64.789 1.00 0.00 C ATOM 928 CG LYS A 75 -7.710 -14.562 -63.872 1.00 0.00 C ATOM 929 CD LYS A 75 -8.917 -15.075 -63.091 1.00 0.00 C ATOM 930 CE LYS A 75 -10.112 -15.333 -63.994 1.00 0.00 C ATOM 931 NZ LYS A 75 -10.569 -14.099 -64.682 1.00 0.00 N ATOM 0 H LYS A 75 -5.153 -15.938 -63.075 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.623 -17.414 -63.696 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.244 -15.225 -65.292 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.849 -15.875 -65.563 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.945 -14.222 -63.174 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.005 -13.698 -64.467 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.649 -15.996 -62.573 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.190 -14.347 -62.327 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.848 -16.085 -64.737 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.931 -15.742 -63.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.525 -14.248 -65.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.586 -13.310 -64.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.917 -13.873 -65.460 1.00 0.00 H new ATOM 945 N CYS A 76 -4.742 -18.119 -64.808 1.00 0.00 N ATOM 946 CA CYS A 76 -3.989 -19.040 -65.631 1.00 0.00 C ATOM 947 C CYS A 76 -4.540 -20.450 -65.465 1.00 0.00 C ATOM 948 O CYS A 76 -5.114 -20.783 -64.422 1.00 0.00 O ATOM 949 CB CYS A 76 -2.520 -18.997 -65.245 1.00 0.00 C ATOM 950 SG CYS A 76 -1.758 -17.379 -65.500 1.00 0.00 S ATOM 0 H CYS A 76 -4.201 -17.682 -64.062 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.084 -18.747 -66.677 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.419 -19.277 -64.196 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.977 -19.742 -65.827 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.508 -17.427 -65.145 1.00 0.00 H new ATOM 955 N ALA A 77 -4.371 -21.268 -66.472 1.00 0.00 N ATOM 956 CA ALA A 77 -4.914 -22.610 -66.452 1.00 0.00 C ATOM 957 C ALA A 77 -3.805 -23.641 -66.367 1.00 0.00 C ATOM 958 O ALA A 77 -2.630 -23.312 -66.549 1.00 0.00 O ATOM 959 CB ALA A 77 -5.765 -22.836 -67.686 1.00 0.00 C ATOM 0 H ALA A 77 -3.860 -21.030 -67.322 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.539 -22.722 -65.566 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.172 -23.847 -67.667 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.583 -22.116 -67.701 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.153 -22.708 -68.579 1.00 0.00 H new ATOM 965 N ALA A 78 -4.175 -24.886 -66.095 1.00 0.00 N ATOM 966 CA ALA A 78 -3.208 -25.966 -65.983 1.00 0.00 C ATOM 967 C ALA A 78 -2.626 -26.308 -67.345 1.00 0.00 C ATOM 968 O ALA A 78 -3.184 -27.117 -68.092 1.00 0.00 O ATOM 969 CB ALA A 78 -3.846 -27.192 -65.345 1.00 0.00 C ATOM 0 H ALA A 78 -5.143 -25.172 -65.948 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.394 -25.632 -65.340 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.107 -27.989 -65.270 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.207 -26.937 -64.349 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.681 -27.529 -65.959 1.00 0.00 H new ATOM 975 N GLY A 79 -1.528 -25.657 -67.674 1.00 0.00 N ATOM 976 CA GLY A 79 -0.881 -25.876 -68.942 1.00 0.00 C ATOM 977 C GLY A 79 -0.821 -24.608 -69.760 1.00 0.00 C ATOM 978 O GLY A 79 0.017 -24.467 -70.647 1.00 0.00 O ATOM 0 H GLY A 79 -1.068 -24.971 -67.075 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.129 -26.251 -68.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.419 -26.644 -69.498 1.00 0.00 H new ATOM 982 N SER A 80 -1.709 -23.676 -69.456 1.00 0.00 N ATOM 983 CA SER A 80 -1.763 -22.421 -70.170 1.00 0.00 C ATOM 984 C SER A 80 -1.494 -21.233 -69.248 1.00 0.00 C ATOM 985 O SER A 80 -2.400 -20.727 -68.571 1.00 0.00 O ATOM 986 CB SER A 80 -3.109 -22.260 -70.877 1.00 0.00 C ATOM 987 OG SER A 80 -3.306 -23.286 -71.842 1.00 0.00 O ATOM 0 H SER A 80 -2.404 -23.770 -68.715 1.00 0.00 H new ATOM 0 HA SER A 80 -0.974 -22.438 -70.922 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.914 -22.287 -70.143 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.154 -21.286 -71.363 1.00 0.00 H new ATOM 0 HG SER A 80 -4.174 -23.162 -72.279 1.00 0.00 H new ATOM 993 N CYS A 81 -0.243 -20.814 -69.210 1.00 0.00 N ATOM 994 CA CYS A 81 0.166 -19.659 -68.438 1.00 0.00 C ATOM 995 C CYS A 81 0.267 -18.465 -69.390 1.00 0.00 C ATOM 996 O CYS A 81 1.054 -18.488 -70.339 1.00 0.00 O ATOM 997 CB CYS A 81 1.522 -19.943 -67.764 1.00 0.00 C ATOM 998 SG CYS A 81 2.062 -18.704 -66.558 1.00 0.00 S ATOM 0 H CYS A 81 0.519 -21.267 -69.715 1.00 0.00 H new ATOM 0 HA CYS A 81 -0.559 -19.439 -67.654 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.466 -20.911 -67.266 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.284 -20.028 -68.539 1.00 0.00 H new ATOM 0 HG CYS A 81 1.546 -18.976 -65.396 1.00 0.00 H new ATOM 1003 N LYS A 82 -0.549 -17.442 -69.165 1.00 0.00 N ATOM 1004 CA LYS A 82 -0.576 -16.289 -70.072 1.00 0.00 C ATOM 1005 C LYS A 82 0.523 -15.288 -69.778 1.00 0.00 C ATOM 1006 O LYS A 82 1.234 -14.861 -70.682 1.00 0.00 O ATOM 1007 CB LYS A 82 -1.938 -15.580 -70.066 1.00 0.00 C ATOM 1008 CG LYS A 82 -3.027 -16.303 -70.851 1.00 0.00 C ATOM 1009 CD LYS A 82 -3.891 -17.170 -69.971 1.00 0.00 C ATOM 1010 CE LYS A 82 -4.806 -16.334 -69.077 1.00 0.00 C ATOM 1011 NZ LYS A 82 -5.750 -15.501 -69.864 1.00 0.00 N ATOM 0 H LYS A 82 -1.193 -17.382 -68.377 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.401 -16.699 -71.067 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.268 -15.462 -69.034 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.814 -14.578 -70.477 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.652 -15.569 -71.360 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.566 -16.919 -71.623 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.495 -17.832 -70.592 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.258 -17.805 -69.351 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.369 -16.994 -68.418 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.200 -15.690 -68.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.543 -15.208 -69.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.256 -14.658 -70.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.114 -16.053 -70.667 1.00 0.00 H new ATOM 1025 N CYS A 83 0.665 -14.913 -68.527 1.00 0.00 N ATOM 1026 CA CYS A 83 1.655 -13.922 -68.150 1.00 0.00 C ATOM 1027 C CYS A 83 3.059 -14.519 -68.209 1.00 0.00 C ATOM 1028 O CYS A 83 4.038 -13.815 -68.479 1.00 0.00 O ATOM 1029 CB CYS A 83 1.361 -13.407 -66.754 1.00 0.00 C ATOM 1030 SG CYS A 83 1.524 -14.663 -65.491 1.00 0.00 S ATOM 0 H CYS A 83 0.110 -15.277 -67.752 1.00 0.00 H new ATOM 0 HA CYS A 83 1.606 -13.091 -68.854 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.038 -12.583 -66.528 1.00 0.00 H new ATOM 0 HB3 CYS A 83 0.349 -13.004 -66.728 1.00 0.00 H new ATOM 0 HG CYS A 83 0.863 -14.301 -64.431 1.00 0.00 H new ATOM 1035 N GLY A 84 3.145 -15.817 -67.959 1.00 0.00 N ATOM 1036 CA GLY A 84 4.415 -16.499 -68.001 1.00 0.00 C ATOM 1037 C GLY A 84 5.268 -16.235 -66.775 1.00 0.00 C ATOM 1038 O GLY A 84 6.471 -16.007 -66.891 1.00 0.00 O ATOM 0 H GLY A 84 2.349 -16.411 -67.726 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.243 -17.571 -68.093 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.961 -16.186 -68.891 1.00 0.00 H new ATOM 1042 N LYS A 85 4.649 -16.243 -65.600 1.00 0.00 N ATOM 1043 CA LYS A 85 5.389 -16.049 -64.353 1.00 0.00 C ATOM 1044 C LYS A 85 5.798 -17.394 -63.760 1.00 0.00 C ATOM 1045 O LYS A 85 6.711 -17.471 -62.935 1.00 0.00 O ATOM 1046 CB LYS A 85 4.573 -15.239 -63.336 1.00 0.00 C ATOM 1047 CG LYS A 85 4.396 -13.766 -63.699 1.00 0.00 C ATOM 1048 CD LYS A 85 5.722 -13.002 -63.671 1.00 0.00 C ATOM 1049 CE LYS A 85 5.506 -11.520 -63.952 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.770 -10.750 -63.883 1.00 0.00 N ATOM 0 H LYS A 85 3.645 -16.380 -65.482 1.00 0.00 H new ATOM 0 HA LYS A 85 6.289 -15.480 -64.586 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.589 -15.696 -63.232 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.060 -15.305 -62.363 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.955 -13.689 -64.693 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.697 -13.303 -63.003 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.196 -13.126 -62.697 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.402 -13.421 -64.412 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.062 -11.400 -64.940 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.795 -11.115 -63.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.577 -9.747 -64.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.182 -10.843 -62.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.440 -11.119 -64.588 1.00 0.00 H new ATOM 1064 N GLY A 86 5.120 -18.451 -64.188 1.00 0.00 N ATOM 1065 CA GLY A 86 5.468 -19.781 -63.730 1.00 0.00 C ATOM 1066 C GLY A 86 4.376 -20.443 -62.912 1.00 0.00 C ATOM 1067 O GLY A 86 4.598 -21.494 -62.307 1.00 0.00 O ATOM 0 H GLY A 86 4.338 -18.411 -64.842 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.694 -20.407 -64.593 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.377 -19.724 -63.131 1.00 0.00 H new ATOM 1071 N CYS A 87 3.206 -19.846 -62.885 1.00 0.00 N ATOM 1072 CA CYS A 87 2.094 -20.399 -62.146 1.00 0.00 C ATOM 1073 C CYS A 87 0.947 -20.756 -63.077 1.00 0.00 C ATOM 1074 O CYS A 87 0.444 -19.921 -63.810 1.00 0.00 O ATOM 1075 CB CYS A 87 1.640 -19.420 -61.073 1.00 0.00 C ATOM 1076 SG CYS A 87 1.722 -17.698 -61.579 1.00 0.00 S ATOM 0 H CYS A 87 2.999 -18.972 -63.369 1.00 0.00 H new ATOM 0 HA CYS A 87 2.423 -21.317 -61.660 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.615 -19.657 -60.789 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.257 -19.558 -60.185 1.00 0.00 H new ATOM 0 HG CYS A 87 1.315 -16.940 -60.605 1.00 0.00 H new ATOM 1081 N THR A 88 0.552 -22.007 -63.052 1.00 0.00 N ATOM 1082 CA THR A 88 -0.529 -22.476 -63.890 1.00 0.00 C ATOM 1083 C THR A 88 -1.829 -22.577 -63.097 1.00 0.00 C ATOM 1084 O THR A 88 -2.620 -23.504 -63.282 1.00 0.00 O ATOM 1085 CB THR A 88 -0.182 -23.837 -64.510 1.00 0.00 C ATOM 1086 OG1 THR A 88 0.436 -24.680 -63.524 1.00 0.00 O ATOM 1087 CG2 THR A 88 0.753 -23.665 -65.698 1.00 0.00 C ATOM 0 H THR A 88 0.966 -22.724 -62.456 1.00 0.00 H new ATOM 0 HA THR A 88 -0.669 -21.751 -64.692 1.00 0.00 H new ATOM 0 HB THR A 88 -1.104 -24.302 -64.858 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.653 -25.547 -63.925 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.986 -24.642 -66.122 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.270 -23.047 -66.455 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.674 -23.183 -65.369 1.00 0.00 H new ATOM 1095 N GLY A 89 -2.048 -21.611 -62.221 1.00 0.00 N ATOM 1096 CA GLY A 89 -3.244 -21.602 -61.423 1.00 0.00 C ATOM 1097 C GLY A 89 -3.008 -21.056 -60.028 1.00 0.00 C ATOM 1098 O GLY A 89 -1.866 -20.902 -59.610 1.00 0.00 O ATOM 0 H GLY A 89 -1.413 -20.831 -62.051 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.005 -21.001 -61.921 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.636 -22.616 -61.351 1.00 0.00 H new ATOM 1102 N PRO A 90 -4.089 -20.795 -59.277 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.031 -20.175 -57.933 1.00 0.00 C ATOM 1104 C PRO A 90 -3.331 -21.040 -56.896 1.00 0.00 C ATOM 1105 O PRO A 90 -2.787 -20.529 -55.921 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.506 -19.994 -57.562 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.222 -21.002 -58.386 1.00 0.00 C ATOM 1108 CD PRO A 90 -5.462 -21.093 -59.676 1.00 0.00 C ATOM 0 HA PRO A 90 -3.454 -19.250 -57.951 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.671 -20.161 -56.498 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.850 -18.984 -57.783 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.253 -21.968 -57.882 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.255 -20.701 -58.561 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.545 -22.084 -60.123 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.831 -20.379 -60.412 1.00 0.00 H new ATOM 1116 N ASP A 91 -3.341 -22.341 -57.112 1.00 0.00 N ATOM 1117 CA ASP A 91 -2.700 -23.268 -56.186 1.00 0.00 C ATOM 1118 C ASP A 91 -1.182 -23.118 -56.241 1.00 0.00 C ATOM 1119 O ASP A 91 -0.479 -23.397 -55.271 1.00 0.00 O ATOM 1120 CB ASP A 91 -3.109 -24.708 -56.506 1.00 0.00 C ATOM 1121 CG ASP A 91 -2.510 -25.713 -55.543 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -2.945 -25.755 -54.377 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -1.609 -26.474 -55.953 1.00 0.00 O ATOM 0 H ASP A 91 -3.784 -22.784 -57.917 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.031 -23.030 -55.175 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.196 -24.787 -56.478 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.797 -24.953 -57.521 1.00 0.00 H new ATOM 1128 N SER A 92 -0.688 -22.647 -57.375 1.00 0.00 N ATOM 1129 CA SER A 92 0.734 -22.448 -57.559 1.00 0.00 C ATOM 1130 C SER A 92 1.039 -20.961 -57.757 1.00 0.00 C ATOM 1131 O SER A 92 2.188 -20.572 -57.987 1.00 0.00 O ATOM 1132 CB SER A 92 1.228 -23.273 -58.757 1.00 0.00 C ATOM 1133 OG SER A 92 2.648 -23.251 -58.868 1.00 0.00 O ATOM 0 H SER A 92 -1.257 -22.395 -58.183 1.00 0.00 H new ATOM 0 HA SER A 92 1.261 -22.787 -56.667 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.888 -24.303 -58.653 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.786 -22.882 -59.674 1.00 0.00 H new ATOM 0 HG SER A 92 2.983 -22.369 -58.603 1.00 0.00 H new ATOM 1139 N CYS A 93 0.006 -20.130 -57.666 1.00 0.00 N ATOM 1140 CA CYS A 93 0.178 -18.699 -57.818 1.00 0.00 C ATOM 1141 C CYS A 93 0.737 -18.117 -56.546 1.00 0.00 C ATOM 1142 O CYS A 93 0.050 -18.028 -55.528 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.142 -18.006 -58.182 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.992 -16.214 -58.447 1.00 0.00 S ATOM 0 H CYS A 93 -0.954 -20.426 -57.488 1.00 0.00 H new ATOM 0 HA CYS A 93 0.877 -18.527 -58.637 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.543 -18.464 -59.086 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -1.865 -18.185 -57.387 1.00 0.00 H new ATOM 0 HG CYS A 93 -0.798 -15.621 -57.306 1.00 0.00 H new ATOM 1149 N LYS A 94 1.991 -17.751 -56.596 1.00 0.00 N ATOM 1150 CA LYS A 94 2.660 -17.173 -55.454 1.00 0.00 C ATOM 1151 C LYS A 94 2.629 -15.657 -55.566 1.00 0.00 C ATOM 1152 O LYS A 94 3.284 -14.947 -54.800 1.00 0.00 O ATOM 1153 CB LYS A 94 4.117 -17.667 -55.400 1.00 0.00 C ATOM 1154 CG LYS A 94 4.281 -19.188 -55.521 1.00 0.00 C ATOM 1155 CD LYS A 94 4.311 -19.891 -54.164 1.00 0.00 C ATOM 1156 CE LYS A 94 3.032 -19.658 -53.370 1.00 0.00 C ATOM 1157 NZ LYS A 94 3.057 -20.344 -52.060 1.00 0.00 N ATOM 0 H LYS A 94 2.578 -17.844 -57.425 1.00 0.00 H new ATOM 0 HA LYS A 94 2.150 -17.477 -54.540 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.679 -17.189 -56.203 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.563 -17.340 -54.461 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.461 -19.591 -56.116 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.203 -19.408 -56.059 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.455 -20.961 -54.314 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.165 -19.532 -53.589 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.892 -18.588 -53.216 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.178 -20.012 -53.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.168 -20.158 -51.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.165 -21.368 -52.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.856 -19.989 -51.497 1.00 0.00 H new ATOM 1171 N CYS A 95 1.855 -15.172 -56.516 1.00 0.00 N ATOM 1172 CA CYS A 95 1.768 -13.760 -56.787 1.00 0.00 C ATOM 1173 C CYS A 95 0.552 -13.143 -56.130 1.00 0.00 C ATOM 1174 O CYS A 95 -0.439 -13.820 -55.847 1.00 0.00 O ATOM 1175 CB CYS A 95 1.719 -13.525 -58.287 1.00 0.00 C ATOM 1176 SG CYS A 95 3.077 -14.293 -59.180 1.00 0.00 S ATOM 0 H CYS A 95 1.270 -15.750 -57.120 1.00 0.00 H new ATOM 0 HA CYS A 95 2.654 -13.282 -56.369 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.776 -13.909 -58.676 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.730 -12.452 -58.479 1.00 0.00 H new ATOM 0 HG CYS A 95 2.956 -14.045 -60.450 1.00 0.00 H new ATOM 1181 N ASP A 96 0.638 -11.859 -55.877 1.00 0.00 N ATOM 1182 CA ASP A 96 -0.458 -11.124 -55.294 1.00 0.00 C ATOM 1183 C ASP A 96 -1.298 -10.505 -56.412 1.00 0.00 C ATOM 1184 O ASP A 96 -2.193 -11.152 -56.969 1.00 0.00 O ATOM 1185 CB ASP A 96 0.081 -10.048 -54.335 1.00 0.00 C ATOM 1186 CG ASP A 96 1.041 -10.612 -53.310 1.00 0.00 C ATOM 1187 OD1 ASP A 96 0.594 -11.067 -52.248 1.00 0.00 O ATOM 1188 OD2 ASP A 96 2.261 -10.609 -53.570 1.00 0.00 O ATOM 0 H ASP A 96 1.467 -11.296 -56.069 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.092 -11.796 -54.715 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.585 -9.272 -54.911 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.755 -9.572 -53.822 1.00 0.00 H new ATOM 1193 N ARG A 97 -0.987 -9.273 -56.766 1.00 0.00 N ATOM 1194 CA ARG A 97 -1.650 -8.600 -57.864 1.00 0.00 C ATOM 1195 C ARG A 97 -0.656 -8.418 -58.994 1.00 0.00 C ATOM 1196 O ARG A 97 -0.963 -7.837 -60.021 1.00 0.00 O ATOM 1197 CB ARG A 97 -2.133 -7.234 -57.414 1.00 0.00 C ATOM 1198 CG ARG A 97 -0.999 -6.306 -57.033 1.00 0.00 C ATOM 1199 CD ARG A 97 -1.506 -4.960 -56.617 1.00 0.00 C ATOM 1200 NE ARG A 97 -0.413 -4.042 -56.308 1.00 0.00 N ATOM 1201 CZ ARG A 97 -0.567 -2.766 -55.953 1.00 0.00 C ATOM 1202 NH1 ARG A 97 -1.784 -2.247 -55.824 1.00 0.00 N ATOM 1203 NH2 ARG A 97 0.503 -2.013 -55.721 1.00 0.00 N ATOM 0 H ARG A 97 -0.271 -8.713 -56.303 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.501 -9.195 -58.195 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.716 -6.778 -58.214 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.801 -7.353 -56.561 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.425 -6.747 -56.218 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.319 -6.195 -57.878 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.119 -4.540 -57.414 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.149 -5.068 -55.743 1.00 0.00 H new ATOM 0 HE ARG A 97 0.539 -4.404 -56.368 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.606 -2.826 -55.997 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.896 -1.270 -55.552 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.437 -2.412 -55.815 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.390 -1.036 -55.449 1.00 0.00 H new ATOM 1217 N SER A 98 0.541 -8.949 -58.785 1.00 0.00 N ATOM 1218 CA SER A 98 1.645 -8.786 -59.722 1.00 0.00 C ATOM 1219 C SER A 98 1.479 -9.675 -60.941 1.00 0.00 C ATOM 1220 O SER A 98 2.315 -9.673 -61.846 1.00 0.00 O ATOM 1221 CB SER A 98 2.961 -9.099 -59.021 1.00 0.00 C ATOM 1222 OG SER A 98 3.065 -8.368 -57.810 1.00 0.00 O ATOM 0 H SER A 98 0.774 -9.504 -57.962 1.00 0.00 H new ATOM 0 HA SER A 98 1.649 -7.752 -60.066 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.025 -10.167 -58.814 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.797 -8.851 -59.675 1.00 0.00 H new ATOM 0 HG SER A 98 3.915 -8.581 -57.371 1.00 0.00 H new ATOM 1228 N CYS A 99 0.409 -10.427 -60.963 1.00 0.00 N ATOM 1229 CA CYS A 99 0.146 -11.297 -62.059 1.00 0.00 C ATOM 1230 C CYS A 99 -0.589 -10.539 -63.140 1.00 0.00 C ATOM 1231 O CYS A 99 -1.593 -9.878 -62.877 1.00 0.00 O ATOM 1232 CB CYS A 99 -0.655 -12.490 -61.611 1.00 0.00 C ATOM 1233 SG CYS A 99 -0.177 -13.994 -62.435 1.00 0.00 S ATOM 0 H CYS A 99 -0.294 -10.448 -60.224 1.00 0.00 H new ATOM 0 HA CYS A 99 1.093 -11.660 -62.459 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -0.536 -12.618 -60.535 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -1.713 -12.301 -61.795 1.00 0.00 H new ATOM 0 HG CYS A 99 -0.906 -14.978 -61.999 1.00 0.00 H new ATOM 1238 N SER A 100 -0.100 -10.653 -64.348 1.00 0.00 N ATOM 1239 CA SER A 100 -0.622 -9.898 -65.467 1.00 0.00 C ATOM 1240 C SER A 100 -1.940 -10.462 -66.007 1.00 0.00 C ATOM 1241 O SER A 100 -2.459 -9.982 -67.016 1.00 0.00 O ATOM 1242 CB SER A 100 0.420 -9.866 -66.562 1.00 0.00 C ATOM 1243 OG SER A 100 1.686 -9.483 -66.041 1.00 0.00 O ATOM 0 H SER A 100 0.674 -11.273 -64.588 1.00 0.00 H new ATOM 0 HA SER A 100 -0.842 -8.890 -65.115 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.495 -10.849 -67.028 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.115 -9.167 -67.340 1.00 0.00 H new ATOM 0 HG SER A 100 2.347 -9.470 -66.764 1.00 0.00 H new ATOM 1249 N CYS A 101 -2.467 -11.479 -65.362 1.00 0.00 N ATOM 1250 CA CYS A 101 -3.732 -12.046 -65.788 1.00 0.00 C ATOM 1251 C CYS A 101 -4.886 -11.434 -64.995 1.00 0.00 C ATOM 1252 O CYS A 101 -6.021 -11.367 -65.483 1.00 0.00 O ATOM 1253 CB CYS A 101 -3.740 -13.550 -65.582 1.00 0.00 C ATOM 1254 SG CYS A 101 -4.151 -14.034 -63.899 1.00 0.00 S ATOM 0 H CYS A 101 -2.046 -11.928 -64.549 1.00 0.00 H new ATOM 0 HA CYS A 101 -3.857 -11.823 -66.848 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -4.458 -14.000 -66.268 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -2.759 -13.950 -65.839 1.00 0.00 H new ATOM 0 HG CYS A 101 -3.402 -15.034 -63.540 1.00 0.00 H new ATOM 1259 N LYS A 102 -4.586 -10.983 -63.769 1.00 0.00 N ATOM 1260 CA LYS A 102 -5.608 -10.446 -62.872 1.00 0.00 C ATOM 1261 C LYS A 102 -6.317 -9.256 -63.516 1.00 0.00 C ATOM 1262 O LYS A 102 -5.652 -8.192 -63.684 1.00 0.00 O ATOM 1263 CB LYS A 102 -5.003 -10.019 -61.523 1.00 0.00 C ATOM 1264 CG LYS A 102 -4.152 -11.083 -60.813 1.00 0.00 C ATOM 1265 CD LYS A 102 -4.922 -12.377 -60.525 1.00 0.00 C ATOM 1266 CE LYS A 102 -4.147 -13.262 -59.556 1.00 0.00 C ATOM 1267 NZ LYS A 102 -4.214 -12.752 -58.157 1.00 0.00 N ATOM 0 H LYS A 102 -3.643 -10.981 -63.380 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.332 -11.240 -62.689 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.387 -9.135 -61.685 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.815 -9.725 -60.858 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.283 -11.314 -61.429 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.778 -10.673 -59.875 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.899 -12.139 -60.105 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.098 -12.916 -61.456 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.547 -14.275 -59.592 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.105 -13.319 -59.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.732 -13.419 -57.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.748 -11.824 -58.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.209 -12.657 -57.869 1.00 0.00 H new