USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 370 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 30 ASN : amide:sc= -3.1! C(o=-4!,f=-11!) USER MOD Set 1.2: A 31 SER OG : rot 31:sc= -0.863! USER MOD Single : A 11 GLN :FLIP amide:sc= -2.12 F(o=-3.3!,f=-2.1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.188 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.098 K(o=-0.098,f=-2.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3! C(o=-3!,f=-5.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0907 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -161:sc= -0.644! USER MOD Single : A 59 TYR OH : rot 180:sc=-0.000864 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 18.667 1.917 -1.207 1.00 0.00 N ATOM 87 CA PRO A 7 19.506 1.190 -0.254 1.00 0.00 C ATOM 88 C PRO A 7 19.655 -0.270 -0.653 1.00 0.00 C ATOM 89 O PRO A 7 18.702 -0.896 -1.076 1.00 0.00 O ATOM 90 CB PRO A 7 18.758 1.281 1.090 1.00 0.00 C ATOM 91 CG PRO A 7 17.436 2.057 0.837 1.00 0.00 C ATOM 92 CD PRO A 7 17.474 2.559 -0.614 1.00 0.00 C ATOM 0 HA PRO A 7 20.510 1.612 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.549 0.285 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.367 1.794 1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.574 1.410 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.342 2.892 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.567 2.282 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.549 3.646 -0.654 1.00 0.00 H new ATOM 100 N CYS A 8 20.852 -0.782 -0.510 1.00 0.00 N ATOM 101 CA CYS A 8 21.097 -2.202 -0.874 1.00 0.00 C ATOM 102 C CYS A 8 21.665 -2.977 0.287 1.00 0.00 C ATOM 103 O CYS A 8 21.456 -2.639 1.435 1.00 0.00 O ATOM 104 CB CYS A 8 22.096 -2.246 -2.030 1.00 0.00 C ATOM 105 SG CYS A 8 23.862 -2.381 -1.632 1.00 0.00 S ATOM 0 H CYS A 8 21.665 -0.276 -0.158 1.00 0.00 H new ATOM 0 HA CYS A 8 20.147 -2.655 -1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.832 -3.091 -2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.957 -1.343 -2.625 1.00 0.00 H new ATOM 110 N CYS A 9 22.376 -4.006 -0.035 1.00 0.00 N ATOM 111 CA CYS A 9 22.979 -4.838 1.050 1.00 0.00 C ATOM 112 C CYS A 9 24.257 -5.524 0.600 1.00 0.00 C ATOM 113 O CYS A 9 24.500 -5.680 -0.573 1.00 0.00 O ATOM 114 CB CYS A 9 21.975 -5.937 1.423 1.00 0.00 C ATOM 115 SG CYS A 9 21.334 -5.950 3.104 1.00 0.00 S ATOM 0 H CYS A 9 22.571 -4.314 -0.988 1.00 0.00 H new ATOM 0 HA CYS A 9 23.212 -4.181 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.127 -5.862 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.449 -6.901 1.237 1.00 0.00 H new ATOM 120 N ASP A 10 25.063 -5.912 1.558 1.00 0.00 N ATOM 121 CA ASP A 10 26.330 -6.597 1.217 1.00 0.00 C ATOM 122 C ASP A 10 26.538 -7.759 2.172 1.00 0.00 C ATOM 123 O ASP A 10 26.387 -8.908 1.806 1.00 0.00 O ATOM 124 CB ASP A 10 27.490 -5.602 1.374 1.00 0.00 C ATOM 125 CG ASP A 10 27.623 -4.769 0.096 1.00 0.00 C ATOM 126 OD1 ASP A 10 28.056 -5.351 -0.886 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.285 -3.601 0.175 1.00 0.00 O ATOM 0 H ASP A 10 24.892 -5.781 2.555 1.00 0.00 H new ATOM 0 HA ASP A 10 26.292 -6.965 0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.311 -4.950 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.419 -6.138 1.570 1.00 0.00 H new ATOM 132 N GLN A 11 26.878 -7.428 3.384 1.00 0.00 N ATOM 133 CA GLN A 11 27.105 -8.479 4.409 1.00 0.00 C ATOM 134 C GLN A 11 25.928 -8.502 5.362 1.00 0.00 C ATOM 135 O GLN A 11 25.872 -7.740 6.305 1.00 0.00 O ATOM 136 CB GLN A 11 28.365 -8.128 5.191 1.00 0.00 C ATOM 137 CG GLN A 11 29.452 -7.703 4.198 1.00 0.00 C ATOM 138 CD GLN A 11 30.822 -7.791 4.868 1.00 0.00 C ATOM 139 OE1 GLN A 11 31.568 -6.723 4.923 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 31.228 -8.833 5.347 1.00 0.00 N flip ATOM 0 H GLN A 11 27.009 -6.470 3.710 1.00 0.00 H new ATOM 0 HA GLN A 11 27.214 -9.453 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.161 -7.323 5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.700 -8.986 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.425 -8.345 3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.268 -6.684 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.649 -9.672 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.147 -8.868 5.788 1.00 0.00 H new ATOM 149 N CYS A 12 25.010 -9.373 5.099 1.00 0.00 N ATOM 150 CA CYS A 12 23.822 -9.460 5.979 1.00 0.00 C ATOM 151 C CYS A 12 24.059 -10.362 7.188 1.00 0.00 C ATOM 152 O CYS A 12 24.810 -11.316 7.125 1.00 0.00 O ATOM 153 CB CYS A 12 22.660 -10.039 5.162 1.00 0.00 C ATOM 154 SG CYS A 12 21.231 -10.663 6.082 1.00 0.00 S ATOM 0 H CYS A 12 25.027 -10.027 4.317 1.00 0.00 H new ATOM 0 HA CYS A 12 23.602 -8.458 6.348 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.310 -9.266 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 12 23.050 -10.853 4.551 1.00 0.00 H new ATOM 159 N ALA A 13 23.407 -10.031 8.272 1.00 0.00 N ATOM 160 CA ALA A 13 23.561 -10.840 9.512 1.00 0.00 C ATOM 161 C ALA A 13 22.386 -10.589 10.457 1.00 0.00 C ATOM 162 O ALA A 13 21.909 -9.474 10.558 1.00 0.00 O ATOM 163 CB ALA A 13 24.857 -10.413 10.212 1.00 0.00 C ATOM 0 H ALA A 13 22.775 -9.234 8.350 1.00 0.00 H new ATOM 0 HA ALA A 13 23.590 -11.898 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.987 -10.996 11.124 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.703 -10.586 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.803 -9.354 10.463 1.00 0.00 H new ATOM 169 N CYS A 14 21.936 -11.629 11.131 1.00 0.00 N ATOM 170 CA CYS A 14 20.788 -11.457 12.074 1.00 0.00 C ATOM 171 C CYS A 14 21.097 -12.000 13.453 1.00 0.00 C ATOM 172 O CYS A 14 21.846 -12.945 13.604 1.00 0.00 O ATOM 173 CB CYS A 14 19.560 -12.201 11.526 1.00 0.00 C ATOM 174 SG CYS A 14 18.055 -11.233 11.223 1.00 0.00 S ATOM 0 H CYS A 14 22.312 -12.575 11.067 1.00 0.00 H new ATOM 0 HA CYS A 14 20.595 -10.388 12.159 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.847 -12.678 10.589 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.311 -12.999 12.226 1.00 0.00 H new ATOM 179 N THR A 15 20.503 -11.372 14.434 1.00 0.00 N ATOM 180 CA THR A 15 20.718 -11.801 15.837 1.00 0.00 C ATOM 181 C THR A 15 19.403 -12.284 16.441 1.00 0.00 C ATOM 182 O THR A 15 18.357 -11.713 16.192 1.00 0.00 O ATOM 183 CB THR A 15 21.250 -10.582 16.630 1.00 0.00 C ATOM 184 OG1 THR A 15 22.468 -11.020 17.200 1.00 0.00 O ATOM 185 CG2 THR A 15 20.364 -10.234 17.845 1.00 0.00 C ATOM 0 H THR A 15 19.876 -10.576 14.317 1.00 0.00 H new ATOM 0 HA THR A 15 21.434 -12.622 15.878 1.00 0.00 H new ATOM 0 HB THR A 15 21.306 -9.723 15.961 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.866 -10.291 17.721 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.782 -9.372 18.365 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.356 -9.998 17.504 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.327 -11.086 18.524 1.00 0.00 H new ATOM 193 N LYS A 16 19.479 -13.325 17.221 1.00 0.00 N ATOM 194 CA LYS A 16 18.245 -13.856 17.846 1.00 0.00 C ATOM 195 C LYS A 16 17.977 -13.181 19.185 1.00 0.00 C ATOM 196 O LYS A 16 17.959 -13.824 20.215 1.00 0.00 O ATOM 197 CB LYS A 16 18.434 -15.361 18.081 1.00 0.00 C ATOM 198 CG LYS A 16 18.413 -16.083 16.732 1.00 0.00 C ATOM 199 CD LYS A 16 19.004 -17.482 16.906 1.00 0.00 C ATOM 200 CE LYS A 16 20.509 -17.428 16.635 1.00 0.00 C ATOM 201 NZ LYS A 16 21.196 -18.591 17.264 1.00 0.00 N ATOM 0 H LYS A 16 20.338 -13.826 17.450 1.00 0.00 H new ATOM 0 HA LYS A 16 17.400 -13.662 17.185 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.379 -15.546 18.592 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.642 -15.744 18.725 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.392 -16.150 16.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.987 -15.521 15.995 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.817 -17.846 17.916 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.524 -18.181 16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.691 -17.429 15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.922 -16.499 17.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.216 -18.538 17.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.038 -18.573 18.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.814 -19.474 16.870 1.00 0.00 H new ATOM 215 N SER A 17 17.769 -11.892 19.147 1.00 0.00 N ATOM 216 CA SER A 17 17.500 -11.165 20.412 1.00 0.00 C ATOM 217 C SER A 17 16.051 -11.352 20.834 1.00 0.00 C ATOM 218 O SER A 17 15.523 -12.447 20.775 1.00 0.00 O ATOM 219 CB SER A 17 17.759 -9.668 20.180 1.00 0.00 C ATOM 220 OG SER A 17 17.695 -9.098 21.480 1.00 0.00 O ATOM 0 H SER A 17 17.774 -11.320 18.303 1.00 0.00 H new ATOM 0 HA SER A 17 18.150 -11.554 21.195 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.732 -9.499 19.718 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.012 -9.233 19.517 1.00 0.00 H new ATOM 0 HG SER A 17 17.853 -8.133 21.422 1.00 0.00 H new ATOM 226 N ASN A 18 15.428 -10.288 21.252 1.00 0.00 N ATOM 227 CA ASN A 18 14.016 -10.403 21.678 1.00 0.00 C ATOM 228 C ASN A 18 13.311 -9.019 21.672 1.00 0.00 C ATOM 229 O ASN A 18 13.384 -8.295 22.645 1.00 0.00 O ATOM 230 CB ASN A 18 14.010 -10.957 23.120 1.00 0.00 C ATOM 231 CG ASN A 18 13.284 -12.305 23.142 1.00 0.00 C ATOM 232 OD1 ASN A 18 13.896 -13.353 23.109 1.00 0.00 O ATOM 233 ND2 ASN A 18 11.979 -12.321 23.198 1.00 0.00 N ATOM 0 H ASN A 18 15.834 -9.354 21.315 1.00 0.00 H new ATOM 0 HA ASN A 18 13.483 -11.058 20.989 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.032 -11.076 23.480 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.515 -10.254 23.790 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.480 -13.211 23.214 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.459 -11.444 23.226 1.00 0.00 H new ATOM 240 N PRO A 19 12.645 -8.644 20.567 1.00 0.00 N ATOM 241 CA PRO A 19 12.534 -9.441 19.316 1.00 0.00 C ATOM 242 C PRO A 19 13.878 -9.500 18.566 1.00 0.00 C ATOM 243 O PRO A 19 14.796 -8.774 18.887 1.00 0.00 O ATOM 244 CB PRO A 19 11.526 -8.651 18.449 1.00 0.00 C ATOM 245 CG PRO A 19 11.171 -7.344 19.208 1.00 0.00 C ATOM 246 CD PRO A 19 11.933 -7.362 20.538 1.00 0.00 C ATOM 0 HA PRO A 19 12.233 -10.467 19.526 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.957 -8.422 17.475 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.629 -9.244 18.269 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.450 -6.471 18.618 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.097 -7.282 19.382 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.629 -6.526 20.602 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.250 -7.274 21.383 1.00 0.00 H new ATOM 254 N PRO A 20 13.965 -10.368 17.566 1.00 0.00 N ATOM 255 CA PRO A 20 15.195 -10.507 16.780 1.00 0.00 C ATOM 256 C PRO A 20 15.519 -9.204 16.049 1.00 0.00 C ATOM 257 O PRO A 20 14.832 -8.215 16.208 1.00 0.00 O ATOM 258 CB PRO A 20 14.882 -11.607 15.743 1.00 0.00 C ATOM 259 CG PRO A 20 13.392 -12.013 15.930 1.00 0.00 C ATOM 260 CD PRO A 20 12.864 -11.266 17.166 1.00 0.00 C ATOM 0 HA PRO A 20 16.049 -10.749 17.412 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.056 -11.241 14.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.535 -12.468 15.887 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.809 -11.753 15.046 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.302 -13.091 16.065 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.961 -10.703 16.931 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.609 -11.959 17.967 1.00 0.00 H new ATOM 268 N GLN A 21 16.558 -9.226 15.262 1.00 0.00 N ATOM 269 CA GLN A 21 16.934 -8.000 14.519 1.00 0.00 C ATOM 270 C GLN A 21 17.824 -8.357 13.342 1.00 0.00 C ATOM 271 O GLN A 21 18.301 -9.472 13.254 1.00 0.00 O ATOM 272 CB GLN A 21 17.711 -7.090 15.472 1.00 0.00 C ATOM 273 CG GLN A 21 19.167 -7.563 15.553 1.00 0.00 C ATOM 274 CD GLN A 21 19.810 -7.022 16.834 1.00 0.00 C ATOM 275 OE1 GLN A 21 19.141 -6.511 17.711 1.00 0.00 O ATOM 276 NE2 GLN A 21 21.102 -7.114 16.982 1.00 0.00 N ATOM 0 H GLN A 21 17.157 -10.036 15.104 1.00 0.00 H new ATOM 0 HA GLN A 21 16.039 -7.502 14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.671 -6.059 15.121 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.255 -7.108 16.462 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.208 -8.652 15.545 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.722 -7.217 14.681 1.00 0.00 H new ATOM 0 HE21 GLN A 21 21.670 -7.542 16.251 1.00 0.00 H new ATOM 0 HE22 GLN A 21 21.545 -6.759 17.829 1.00 0.00 H new ATOM 285 N CYS A 22 18.044 -7.423 12.447 1.00 0.00 N ATOM 286 CA CYS A 22 18.914 -7.759 11.291 1.00 0.00 C ATOM 287 C CYS A 22 19.648 -6.561 10.721 1.00 0.00 C ATOM 288 O CYS A 22 19.054 -5.612 10.258 1.00 0.00 O ATOM 289 CB CYS A 22 18.060 -8.383 10.186 1.00 0.00 C ATOM 290 SG CYS A 22 18.505 -10.057 9.643 1.00 0.00 S ATOM 0 H CYS A 22 17.670 -6.474 12.468 1.00 0.00 H new ATOM 0 HA CYS A 22 19.669 -8.455 11.657 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.025 -8.402 10.528 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.096 -7.725 9.318 1.00 0.00 H new ATOM 295 N ARG A 23 20.942 -6.646 10.784 1.00 0.00 N ATOM 296 CA ARG A 23 21.796 -5.568 10.269 1.00 0.00 C ATOM 297 C ARG A 23 22.460 -6.022 8.978 1.00 0.00 C ATOM 298 O ARG A 23 22.569 -7.204 8.723 1.00 0.00 O ATOM 299 CB ARG A 23 22.871 -5.307 11.327 1.00 0.00 C ATOM 300 CG ARG A 23 23.989 -6.346 11.183 1.00 0.00 C ATOM 301 CD ARG A 23 24.764 -6.445 12.500 1.00 0.00 C ATOM 302 NE ARG A 23 24.701 -5.132 13.207 1.00 0.00 N ATOM 303 CZ ARG A 23 25.262 -5.010 14.381 1.00 0.00 C ATOM 304 NH1 ARG A 23 25.028 -5.915 15.291 1.00 0.00 N ATOM 305 NH2 ARG A 23 26.040 -3.985 14.605 1.00 0.00 N ATOM 0 H ARG A 23 21.447 -7.438 11.181 1.00 0.00 H new ATOM 0 HA ARG A 23 21.214 -4.668 10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 23.276 -4.302 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.436 -5.361 12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.567 -7.317 10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.661 -6.063 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.340 -7.230 13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 23 25.801 -6.717 12.306 1.00 0.00 H new ATOM 0 HE ARG A 23 24.225 -4.338 12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 23 24.415 -6.703 15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 23 25.458 -5.835 16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.201 -3.297 13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 23 26.487 -3.873 15.515 1.00 0.00 H new ATOM 319 N CYS A 24 22.890 -5.089 8.185 1.00 0.00 N ATOM 320 CA CYS A 24 23.544 -5.483 6.912 1.00 0.00 C ATOM 321 C CYS A 24 24.485 -4.401 6.414 1.00 0.00 C ATOM 322 O CYS A 24 24.357 -3.252 6.795 1.00 0.00 O ATOM 323 CB CYS A 24 22.451 -5.714 5.873 1.00 0.00 C ATOM 324 SG CYS A 24 22.963 -6.275 4.240 1.00 0.00 S ATOM 0 H CYS A 24 22.820 -4.086 8.357 1.00 0.00 H new ATOM 0 HA CYS A 24 24.131 -6.386 7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.752 -6.447 6.277 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.900 -4.781 5.751 1.00 0.00 H new ATOM 329 N SER A 25 25.408 -4.783 5.544 1.00 0.00 N ATOM 330 CA SER A 25 26.373 -3.765 5.016 1.00 0.00 C ATOM 331 C SER A 25 26.811 -2.902 6.179 1.00 0.00 C ATOM 332 O SER A 25 27.084 -1.725 6.050 1.00 0.00 O ATOM 333 CB SER A 25 25.652 -2.893 3.978 1.00 0.00 C ATOM 334 OG SER A 25 26.675 -2.517 3.068 1.00 0.00 O ATOM 0 H SER A 25 25.528 -5.732 5.189 1.00 0.00 H new ATOM 0 HA SER A 25 27.234 -4.245 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.857 -3.445 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.191 -2.021 4.442 1.00 0.00 H new ATOM 0 HG SER A 25 26.295 -1.952 2.363 1.00 0.00 H new ATOM 340 N ASP A 26 26.858 -3.549 7.297 1.00 0.00 N ATOM 341 CA ASP A 26 27.258 -2.878 8.567 1.00 0.00 C ATOM 342 C ASP A 26 28.758 -2.933 8.881 1.00 0.00 C ATOM 343 O ASP A 26 29.191 -2.300 9.840 1.00 0.00 O ATOM 344 CB ASP A 26 26.538 -3.639 9.684 1.00 0.00 C ATOM 345 CG ASP A 26 25.993 -2.657 10.713 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.815 -2.112 11.428 1.00 0.00 O ATOM 347 OD2 ASP A 26 24.780 -2.504 10.728 1.00 0.00 O ATOM 0 H ASP A 26 26.632 -4.539 7.394 1.00 0.00 H new ATOM 0 HA ASP A 26 27.001 -1.823 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 26 25.723 -4.231 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.226 -4.336 10.163 1.00 0.00 H new ATOM 352 N MET A 27 29.534 -3.629 8.067 1.00 0.00 N ATOM 353 CA MET A 27 31.008 -3.708 8.355 1.00 0.00 C ATOM 354 C MET A 27 31.753 -2.474 7.984 1.00 0.00 C ATOM 355 O MET A 27 31.339 -1.680 7.163 1.00 0.00 O ATOM 356 CB MET A 27 31.618 -4.888 7.609 1.00 0.00 C ATOM 357 CG MET A 27 30.578 -6.000 7.475 1.00 0.00 C ATOM 358 SD MET A 27 29.461 -6.265 8.874 1.00 0.00 S ATOM 359 CE MET A 27 29.594 -8.069 8.936 1.00 0.00 C ATOM 0 H MET A 27 29.218 -4.132 7.238 1.00 0.00 H new ATOM 0 HA MET A 27 31.100 -3.832 9.434 1.00 0.00 H new ATOM 0 HB2 MET A 27 31.957 -4.572 6.622 1.00 0.00 H new ATOM 0 HB3 MET A 27 32.493 -5.257 8.144 1.00 0.00 H new ATOM 0 HG2 MET A 27 29.971 -5.790 6.594 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.106 -6.934 7.283 1.00 0.00 H new ATOM 0 HE1 MET A 27 28.972 -8.452 9.745 1.00 0.00 H new ATOM 0 HE2 MET A 27 29.259 -8.491 7.989 1.00 0.00 H new ATOM 0 HE3 MET A 27 30.632 -8.351 9.112 1.00 0.00 H new ATOM 369 N ARG A 28 32.867 -2.358 8.630 1.00 0.00 N ATOM 370 CA ARG A 28 33.733 -1.220 8.417 1.00 0.00 C ATOM 371 C ARG A 28 34.813 -1.329 7.392 1.00 0.00 C ATOM 372 O ARG A 28 35.946 -1.470 7.735 1.00 0.00 O ATOM 373 CB ARG A 28 34.431 -0.917 9.771 1.00 0.00 C ATOM 374 CG ARG A 28 34.956 -2.231 10.361 1.00 0.00 C ATOM 375 CD ARG A 28 36.095 -1.923 11.336 1.00 0.00 C ATOM 376 NE ARG A 28 35.632 -0.903 12.318 1.00 0.00 N ATOM 377 CZ ARG A 28 36.509 -0.143 12.917 1.00 0.00 C ATOM 378 NH1 ARG A 28 37.729 -0.583 13.068 1.00 0.00 N ATOM 379 NH2 ARG A 28 36.138 1.033 13.344 1.00 0.00 N ATOM 0 H ARG A 28 33.209 -3.033 9.314 1.00 0.00 H new ATOM 0 HA ARG A 28 33.067 -0.448 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 28 35.252 -0.215 9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 28 33.729 -0.447 10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 28 34.153 -2.759 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 28 35.310 -2.886 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 28 36.403 -2.831 11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 28 36.966 -1.555 10.793 1.00 0.00 H new ATOM 0 HE ARG A 28 34.638 -0.799 12.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 37.984 -1.507 12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 28 38.427 -0.002 13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 28 35.177 1.345 13.208 1.00 0.00 H new ATOM 0 HH22 ARG A 28 36.809 1.640 13.814 1.00 0.00 H new ATOM 393 N LEU A 29 34.467 -1.169 6.164 1.00 0.00 N ATOM 394 CA LEU A 29 35.505 -1.257 5.126 1.00 0.00 C ATOM 395 C LEU A 29 35.063 -0.507 3.887 1.00 0.00 C ATOM 396 O LEU A 29 35.555 -0.713 2.797 1.00 0.00 O ATOM 397 CB LEU A 29 35.806 -2.721 4.780 1.00 0.00 C ATOM 398 CG LEU A 29 37.300 -3.006 5.052 1.00 0.00 C ATOM 399 CD1 LEU A 29 37.658 -4.388 4.518 1.00 0.00 C ATOM 400 CD2 LEU A 29 38.176 -1.963 4.338 1.00 0.00 C ATOM 0 H LEU A 29 33.520 -0.983 5.833 1.00 0.00 H new ATOM 0 HA LEU A 29 36.418 -0.802 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.181 -3.385 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.570 -2.917 3.734 1.00 0.00 H new ATOM 0 HG LEU A 29 37.476 -2.958 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.712 -4.590 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 29 37.048 -5.140 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 29 37.471 -4.423 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.227 -2.173 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 29 37.993 -2.008 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.929 -0.967 4.706 1.00 0.00 H new ATOM 412 N ASN A 30 34.124 0.343 4.094 1.00 0.00 N ATOM 413 CA ASN A 30 33.592 1.149 2.976 1.00 0.00 C ATOM 414 C ASN A 30 32.784 2.336 3.498 1.00 0.00 C ATOM 415 O ASN A 30 33.261 3.113 4.301 1.00 0.00 O ATOM 416 CB ASN A 30 32.686 0.250 2.120 1.00 0.00 C ATOM 417 CG ASN A 30 32.425 0.922 0.773 1.00 0.00 C ATOM 418 OD1 ASN A 30 32.403 2.131 0.662 1.00 0.00 O ATOM 419 ND2 ASN A 30 32.222 0.173 -0.276 1.00 0.00 N ATOM 0 H ASN A 30 33.692 0.521 5.000 1.00 0.00 H new ATOM 0 HA ASN A 30 34.421 1.536 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.158 -0.721 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 30 31.743 0.069 2.636 1.00 0.00 H new ATOM 0 HD21 ASN A 30 32.046 0.604 -1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 30 32.239 -0.843 -0.188 1.00 0.00 H new ATOM 426 N SER A 31 31.567 2.448 3.030 1.00 0.00 N ATOM 427 CA SER A 31 30.711 3.570 3.486 1.00 0.00 C ATOM 428 C SER A 31 29.245 3.175 3.471 1.00 0.00 C ATOM 429 O SER A 31 28.817 2.389 2.650 1.00 0.00 O ATOM 430 CB SER A 31 30.907 4.760 2.540 1.00 0.00 C ATOM 431 OG SER A 31 31.526 4.200 1.396 1.00 0.00 O ATOM 0 H SER A 31 31.137 1.813 2.357 1.00 0.00 H new ATOM 0 HA SER A 31 30.995 3.832 4.505 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.956 5.229 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 31 31.531 5.530 2.993 1.00 0.00 H new ATOM 0 HG SER A 31 31.228 3.273 1.283 1.00 0.00 H new ATOM 437 N CYS A 32 28.500 3.730 4.386 1.00 0.00 N ATOM 438 CA CYS A 32 27.057 3.400 4.444 1.00 0.00 C ATOM 439 C CYS A 32 26.320 4.092 3.296 1.00 0.00 C ATOM 440 O CYS A 32 26.942 4.561 2.364 1.00 0.00 O ATOM 441 CB CYS A 32 26.499 3.892 5.795 1.00 0.00 C ATOM 442 SG CYS A 32 27.593 3.783 7.241 1.00 0.00 S ATOM 0 H CYS A 32 28.828 4.392 5.089 1.00 0.00 H new ATOM 0 HA CYS A 32 26.916 2.323 4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.200 4.933 5.677 1.00 0.00 H new ATOM 0 HB3 CYS A 32 25.595 3.324 6.013 1.00 0.00 H new ATOM 447 N HIS A 33 25.016 4.147 3.371 1.00 0.00 N ATOM 448 CA HIS A 33 24.266 4.814 2.270 1.00 0.00 C ATOM 449 C HIS A 33 22.944 5.406 2.763 1.00 0.00 C ATOM 450 O HIS A 33 22.936 6.363 3.513 1.00 0.00 O ATOM 451 CB HIS A 33 23.982 3.768 1.176 1.00 0.00 C ATOM 452 CG HIS A 33 23.527 2.467 1.830 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.120 2.365 3.009 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.493 1.183 1.318 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.840 1.162 3.298 1.00 0.00 C ATOM 456 NE2 HIS A 33 23.046 0.334 2.276 1.00 0.00 N ATOM 0 H HIS A 33 24.449 3.768 4.130 1.00 0.00 H new ATOM 0 HA HIS A 33 24.870 5.634 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.213 4.135 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.878 3.595 0.580 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.777 0.901 0.315 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.476 0.845 4.264 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.905 -0.675 2.227 1.00 0.00 H new ATOM 464 N SER A 34 21.851 4.827 2.334 1.00 0.00 N ATOM 465 CA SER A 34 20.527 5.345 2.765 1.00 0.00 C ATOM 466 C SER A 34 19.947 4.541 3.909 1.00 0.00 C ATOM 467 O SER A 34 19.367 5.089 4.826 1.00 0.00 O ATOM 468 CB SER A 34 19.571 5.264 1.573 1.00 0.00 C ATOM 469 OG SER A 34 20.249 4.434 0.640 1.00 0.00 O ATOM 0 H SER A 34 21.823 4.023 1.707 1.00 0.00 H new ATOM 0 HA SER A 34 20.655 6.371 3.110 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.610 4.838 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.370 6.251 1.156 1.00 0.00 H new ATOM 0 HG SER A 34 19.698 4.327 -0.163 1.00 0.00 H new ATOM 475 N ALA A 35 20.107 3.265 3.843 1.00 0.00 N ATOM 476 CA ALA A 35 19.565 2.418 4.930 1.00 0.00 C ATOM 477 C ALA A 35 20.511 2.462 6.123 1.00 0.00 C ATOM 478 O ALA A 35 20.837 1.453 6.716 1.00 0.00 O ATOM 479 CB ALA A 35 19.437 0.971 4.413 1.00 0.00 C ATOM 0 H ALA A 35 20.585 2.768 3.092 1.00 0.00 H new ATOM 0 HA ALA A 35 18.586 2.784 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.039 0.336 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.763 0.949 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.418 0.604 4.113 1.00 0.00 H new ATOM 485 N CYS A 36 20.931 3.654 6.448 1.00 0.00 N ATOM 486 CA CYS A 36 21.852 3.825 7.587 1.00 0.00 C ATOM 487 C CYS A 36 21.917 5.292 8.000 1.00 0.00 C ATOM 488 O CYS A 36 22.668 6.063 7.437 1.00 0.00 O ATOM 489 CB CYS A 36 23.247 3.384 7.130 1.00 0.00 C ATOM 490 SG CYS A 36 23.708 1.650 7.374 1.00 0.00 S ATOM 0 H CYS A 36 20.670 4.515 5.967 1.00 0.00 H new ATOM 0 HA CYS A 36 21.504 3.234 8.434 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.337 3.608 6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.980 4.001 7.649 1.00 0.00 H new ATOM 495 N LYS A 37 21.127 5.653 8.974 1.00 0.00 N ATOM 496 CA LYS A 37 21.136 7.068 9.429 1.00 0.00 C ATOM 497 C LYS A 37 22.123 7.233 10.555 1.00 0.00 C ATOM 498 O LYS A 37 22.913 8.155 10.577 1.00 0.00 O ATOM 499 CB LYS A 37 19.734 7.438 9.925 1.00 0.00 C ATOM 500 CG LYS A 37 19.115 8.452 8.957 1.00 0.00 C ATOM 501 CD LYS A 37 19.855 9.791 9.076 1.00 0.00 C ATOM 502 CE LYS A 37 18.889 10.851 9.613 1.00 0.00 C ATOM 503 NZ LYS A 37 19.574 12.169 9.740 1.00 0.00 N ATOM 0 H LYS A 37 20.483 5.036 9.468 1.00 0.00 H new ATOM 0 HA LYS A 37 21.423 7.718 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.109 6.547 9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.789 7.860 10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.177 8.080 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.057 8.588 9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 37 20.711 9.690 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 20.243 10.094 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.033 10.943 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.503 10.541 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.903 12.875 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.376 12.081 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.921 12.471 8.807 1.00 0.00 H new ATOM 517 N SER A 38 22.055 6.331 11.470 1.00 0.00 N ATOM 518 CA SER A 38 22.972 6.384 12.619 1.00 0.00 C ATOM 519 C SER A 38 24.205 5.572 12.278 1.00 0.00 C ATOM 520 O SER A 38 24.368 4.471 12.737 1.00 0.00 O ATOM 521 CB SER A 38 22.273 5.752 13.830 1.00 0.00 C ATOM 522 OG SER A 38 21.195 6.633 14.110 1.00 0.00 O ATOM 0 H SER A 38 21.398 5.551 11.473 1.00 0.00 H new ATOM 0 HA SER A 38 23.249 7.413 12.846 1.00 0.00 H new ATOM 0 HB2 SER A 38 21.917 4.747 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.949 5.667 14.681 1.00 0.00 H new ATOM 0 HG SER A 38 20.689 6.297 14.879 1.00 0.00 H new ATOM 528 N CYS A 39 25.040 6.133 11.452 1.00 0.00 N ATOM 529 CA CYS A 39 26.278 5.419 11.052 1.00 0.00 C ATOM 530 C CYS A 39 27.536 6.175 11.403 1.00 0.00 C ATOM 531 O CYS A 39 27.636 7.369 11.202 1.00 0.00 O ATOM 532 CB CYS A 39 26.260 5.265 9.526 1.00 0.00 C ATOM 533 SG CYS A 39 26.340 3.597 8.826 1.00 0.00 S ATOM 0 H CYS A 39 24.917 7.057 11.037 1.00 0.00 H new ATOM 0 HA CYS A 39 26.291 4.468 11.584 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.350 5.737 9.156 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.099 5.833 9.125 1.00 0.00 H new ATOM 538 N ILE A 40 28.472 5.453 11.922 1.00 0.00 N ATOM 539 CA ILE A 40 29.756 6.071 12.297 1.00 0.00 C ATOM 540 C ILE A 40 30.625 5.827 11.096 1.00 0.00 C ATOM 541 O ILE A 40 30.377 4.867 10.393 1.00 0.00 O ATOM 542 CB ILE A 40 30.330 5.352 13.527 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.251 5.197 14.602 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.471 6.204 14.103 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.987 3.709 14.841 1.00 0.00 C ATOM 0 H ILE A 40 28.402 4.452 12.104 1.00 0.00 H new ATOM 0 HA ILE A 40 29.675 7.128 12.552 1.00 0.00 H new ATOM 0 HB ILE A 40 30.689 4.366 13.231 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.572 5.675 15.528 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.334 5.695 14.288 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.890 5.707 14.978 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.248 6.328 13.349 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.085 7.182 14.391 1.00 0.00 H new ATOM 0 HD11 ILE A 40 28.219 3.594 15.606 1.00 0.00 H new ATOM 0 HD12 ILE A 40 28.648 3.246 13.914 1.00 0.00 H new ATOM 0 HD13 ILE A 40 29.906 3.225 15.173 1.00 0.00 H new ATOM 557 N CYS A 41 31.617 6.616 10.809 1.00 0.00 N ATOM 558 CA CYS A 41 32.342 6.216 9.592 1.00 0.00 C ATOM 559 C CYS A 41 33.598 7.024 9.319 1.00 0.00 C ATOM 560 O CYS A 41 33.630 8.231 9.456 1.00 0.00 O ATOM 561 CB CYS A 41 31.353 6.457 8.462 1.00 0.00 C ATOM 562 SG CYS A 41 30.620 5.013 7.661 1.00 0.00 S ATOM 0 H CYS A 41 31.933 7.445 11.313 1.00 0.00 H new ATOM 0 HA CYS A 41 32.680 5.185 9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.542 7.071 8.853 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.857 7.045 7.695 1.00 0.00 H new ATOM 567 N ALA A 42 34.613 6.305 8.937 1.00 0.00 N ATOM 568 CA ALA A 42 35.920 6.935 8.624 1.00 0.00 C ATOM 569 C ALA A 42 36.130 6.973 7.112 1.00 0.00 C ATOM 570 O ALA A 42 36.346 5.946 6.493 1.00 0.00 O ATOM 571 CB ALA A 42 37.036 6.092 9.260 1.00 0.00 C ATOM 0 H ALA A 42 34.591 5.291 8.827 1.00 0.00 H new ATOM 0 HA ALA A 42 35.938 7.952 9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.003 6.543 9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 42 36.892 6.053 10.340 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.005 5.081 8.853 1.00 0.00 H new ATOM 577 N LEU A 43 36.063 8.139 6.539 1.00 0.00 N ATOM 578 CA LEU A 43 36.258 8.230 5.069 1.00 0.00 C ATOM 579 C LEU A 43 37.741 8.183 4.707 1.00 0.00 C ATOM 580 O LEU A 43 38.158 8.729 3.704 1.00 0.00 O ATOM 581 CB LEU A 43 35.656 9.555 4.584 1.00 0.00 C ATOM 582 CG LEU A 43 34.134 9.483 4.729 1.00 0.00 C ATOM 583 CD1 LEU A 43 33.604 10.841 5.189 1.00 0.00 C ATOM 584 CD2 LEU A 43 33.513 9.129 3.374 1.00 0.00 C ATOM 0 H LEU A 43 35.884 9.022 7.017 1.00 0.00 H new ATOM 0 HA LEU A 43 35.767 7.383 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 36.052 10.386 5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 43 35.929 9.736 3.544 1.00 0.00 H new ATOM 0 HG LEU A 43 33.872 8.721 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.520 10.792 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 34.050 11.099 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 33.864 11.601 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.429 9.077 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.774 9.894 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 43 33.894 8.164 3.040 1.00 0.00 H new ATOM 596 N SER A 44 38.510 7.523 5.533 1.00 0.00 N ATOM 597 CA SER A 44 39.965 7.422 5.261 1.00 0.00 C ATOM 598 C SER A 44 40.256 6.253 4.327 1.00 0.00 C ATOM 599 O SER A 44 39.365 5.733 3.685 1.00 0.00 O ATOM 600 CB SER A 44 40.692 7.185 6.594 1.00 0.00 C ATOM 601 OG SER A 44 40.295 5.874 6.977 1.00 0.00 O ATOM 0 H SER A 44 38.190 7.053 6.380 1.00 0.00 H new ATOM 0 HA SER A 44 40.307 8.343 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.773 7.256 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 44 40.404 7.923 7.342 1.00 0.00 H new ATOM 0 HG SER A 44 40.720 5.639 7.828 1.00 0.00 H new ATOM 607 N TYR A 45 41.501 5.863 4.270 1.00 0.00 N ATOM 608 CA TYR A 45 41.883 4.726 3.385 1.00 0.00 C ATOM 609 C TYR A 45 42.972 3.845 4.068 1.00 0.00 C ATOM 610 O TYR A 45 44.025 4.352 4.400 1.00 0.00 O ATOM 611 CB TYR A 45 42.494 5.326 2.105 1.00 0.00 C ATOM 612 CG TYR A 45 41.562 5.070 0.915 1.00 0.00 C ATOM 613 CD1 TYR A 45 41.569 3.853 0.266 1.00 0.00 C ATOM 614 CD2 TYR A 45 40.709 6.060 0.468 1.00 0.00 C ATOM 615 CE1 TYR A 45 40.739 3.629 -0.814 1.00 0.00 C ATOM 616 CE2 TYR A 45 39.878 5.835 -0.612 1.00 0.00 C ATOM 617 CZ TYR A 45 39.886 4.618 -1.261 1.00 0.00 C ATOM 618 OH TYR A 45 39.057 4.395 -2.341 1.00 0.00 O ATOM 0 H TYR A 45 42.268 6.281 4.797 1.00 0.00 H new ATOM 0 HA TYR A 45 41.007 4.113 3.175 1.00 0.00 H new ATOM 0 HB2 TYR A 45 42.650 6.397 2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 45 43.471 4.882 1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 45 42.229 3.069 0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 45 40.692 7.018 0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 45 40.757 2.672 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 45 39.216 6.618 -0.951 1.00 0.00 H new ATOM 0 HH TYR A 45 38.525 5.199 -2.516 1.00 0.00 H new ATOM 628 N PRO A 46 42.724 2.532 4.282 1.00 0.00 N ATOM 629 CA PRO A 46 41.472 1.821 3.926 1.00 0.00 C ATOM 630 C PRO A 46 40.293 2.309 4.763 1.00 0.00 C ATOM 631 O PRO A 46 40.349 2.311 5.977 1.00 0.00 O ATOM 632 CB PRO A 46 41.742 0.340 4.276 1.00 0.00 C ATOM 633 CG PRO A 46 43.157 0.262 4.913 1.00 0.00 C ATOM 634 CD PRO A 46 43.748 1.681 4.902 1.00 0.00 C ATOM 0 HA PRO A 46 41.218 1.985 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.988 -0.034 4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.689 -0.281 3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 46 43.098 -0.121 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.793 -0.422 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.977 2.018 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.679 1.713 4.336 1.00 0.00 H new ATOM 642 N ALA A 47 39.252 2.711 4.100 1.00 0.00 N ATOM 643 CA ALA A 47 38.067 3.200 4.837 1.00 0.00 C ATOM 644 C ALA A 47 37.655 2.226 5.928 1.00 0.00 C ATOM 645 O ALA A 47 38.113 1.102 5.981 1.00 0.00 O ATOM 646 CB ALA A 47 36.903 3.343 3.844 1.00 0.00 C ATOM 0 H ALA A 47 39.172 2.722 3.083 1.00 0.00 H new ATOM 0 HA ALA A 47 38.314 4.155 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.019 3.703 4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.176 4.053 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.688 2.374 3.394 1.00 0.00 H new ATOM 652 N GLN A 48 36.793 2.688 6.774 1.00 0.00 N ATOM 653 CA GLN A 48 36.303 1.852 7.884 1.00 0.00 C ATOM 654 C GLN A 48 34.935 2.358 8.203 1.00 0.00 C ATOM 655 O GLN A 48 34.717 3.552 8.146 1.00 0.00 O ATOM 656 CB GLN A 48 37.230 2.022 9.096 1.00 0.00 C ATOM 657 CG GLN A 48 38.570 1.342 8.797 1.00 0.00 C ATOM 658 CD GLN A 48 39.372 1.210 10.095 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.661 2.183 10.762 1.00 0.00 O ATOM 660 NE2 GLN A 48 39.751 0.023 10.486 1.00 0.00 N ATOM 0 H GLN A 48 36.400 3.629 6.741 1.00 0.00 H new ATOM 0 HA GLN A 48 36.282 0.794 7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.384 3.080 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.774 1.583 9.983 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.402 0.358 8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.132 1.925 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 48 39.511 -0.798 9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.287 -0.083 11.347 1.00 0.00 H new ATOM 669 N CYS A 49 34.005 1.507 8.523 1.00 0.00 N ATOM 670 CA CYS A 49 32.681 2.108 8.808 1.00 0.00 C ATOM 671 C CYS A 49 31.702 1.169 9.595 1.00 0.00 C ATOM 672 O CYS A 49 31.785 -0.053 9.552 1.00 0.00 O ATOM 673 CB CYS A 49 32.127 2.389 7.410 1.00 0.00 C ATOM 674 SG CYS A 49 32.169 4.102 6.826 1.00 0.00 S ATOM 0 H CYS A 49 34.090 0.493 8.596 1.00 0.00 H new ATOM 0 HA CYS A 49 32.780 2.982 9.452 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.682 1.777 6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.092 2.049 7.383 1.00 0.00 H new ATOM 679 N PHE A 50 30.773 1.759 10.288 1.00 0.00 N ATOM 680 CA PHE A 50 29.821 0.911 11.050 1.00 0.00 C ATOM 681 C PHE A 50 28.443 1.505 11.070 1.00 0.00 C ATOM 682 O PHE A 50 28.277 2.707 11.141 1.00 0.00 O ATOM 683 CB PHE A 50 30.307 0.794 12.494 1.00 0.00 C ATOM 684 CG PHE A 50 30.575 -0.674 12.811 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.527 -1.570 12.924 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.869 -1.130 12.976 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.771 -2.899 13.195 1.00 0.00 C ATOM 688 CE2 PHE A 50 32.112 -2.461 13.247 1.00 0.00 C ATOM 689 CZ PHE A 50 31.063 -3.344 13.357 1.00 0.00 C ATOM 0 H PHE A 50 30.632 2.767 10.360 1.00 0.00 H new ATOM 0 HA PHE A 50 29.776 -0.063 10.563 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.215 1.381 12.634 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.558 1.196 13.177 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.511 -1.226 12.799 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.696 -0.440 12.892 1.00 0.00 H new ATOM 0 HE1 PHE A 50 28.947 -3.592 13.280 1.00 0.00 H new ATOM 0 HE2 PHE A 50 33.126 -2.810 13.373 1.00 0.00 H new ATOM 0 HZ PHE A 50 31.253 -4.385 13.570 1.00 0.00 H new ATOM 699 N CYS A 51 27.475 0.637 11.007 1.00 0.00 N ATOM 700 CA CYS A 51 26.056 1.108 11.021 1.00 0.00 C ATOM 701 C CYS A 51 25.333 0.496 12.200 1.00 0.00 C ATOM 702 O CYS A 51 25.140 -0.700 12.256 1.00 0.00 O ATOM 703 CB CYS A 51 25.354 0.670 9.725 1.00 0.00 C ATOM 704 SG CYS A 51 23.740 1.417 9.379 1.00 0.00 S ATOM 0 H CYS A 51 27.599 -0.374 10.947 1.00 0.00 H new ATOM 0 HA CYS A 51 26.040 2.195 11.100 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.017 0.890 8.888 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.228 -0.412 9.756 1.00 0.00 H new ATOM 709 N VAL A 52 24.930 1.322 13.126 1.00 0.00 N ATOM 710 CA VAL A 52 24.219 0.771 14.302 1.00 0.00 C ATOM 711 C VAL A 52 22.727 0.676 14.024 1.00 0.00 C ATOM 712 O VAL A 52 21.972 0.176 14.835 1.00 0.00 O ATOM 713 CB VAL A 52 24.483 1.664 15.536 1.00 0.00 C ATOM 714 CG1 VAL A 52 25.815 1.249 16.170 1.00 0.00 C ATOM 715 CG2 VAL A 52 24.570 3.130 15.121 1.00 0.00 C ATOM 0 H VAL A 52 25.061 2.334 13.117 1.00 0.00 H new ATOM 0 HA VAL A 52 24.593 -0.233 14.504 1.00 0.00 H new ATOM 0 HB VAL A 52 23.665 1.543 16.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.013 1.872 17.042 1.00 0.00 H new ATOM 0 HG12 VAL A 52 25.763 0.204 16.475 1.00 0.00 H new ATOM 0 HG13 VAL A 52 26.618 1.375 15.444 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.756 3.747 16.000 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.385 3.259 14.408 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.631 3.433 14.657 1.00 0.00 H new ATOM 725 N ASP A 53 22.324 1.162 12.877 1.00 0.00 N ATOM 726 CA ASP A 53 20.885 1.101 12.533 1.00 0.00 C ATOM 727 C ASP A 53 20.548 -0.310 12.073 1.00 0.00 C ATOM 728 O ASP A 53 21.376 -0.969 11.477 1.00 0.00 O ATOM 729 CB ASP A 53 20.618 2.081 11.384 1.00 0.00 C ATOM 730 CG ASP A 53 19.117 2.373 11.304 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.654 3.078 12.186 1.00 0.00 O ATOM 732 OD2 ASP A 53 18.518 1.874 10.365 1.00 0.00 O ATOM 0 H ASP A 53 22.927 1.592 12.176 1.00 0.00 H new ATOM 0 HA ASP A 53 20.276 1.362 13.399 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.172 3.006 11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.968 1.659 10.442 1.00 0.00 H new ATOM 737 N ILE A 54 19.351 -0.756 12.356 1.00 0.00 N ATOM 738 CA ILE A 54 18.973 -2.125 11.933 1.00 0.00 C ATOM 739 C ILE A 54 17.570 -2.185 11.363 1.00 0.00 C ATOM 740 O ILE A 54 16.801 -1.248 11.462 1.00 0.00 O ATOM 741 CB ILE A 54 19.007 -3.020 13.164 1.00 0.00 C ATOM 742 CG1 ILE A 54 19.075 -2.163 14.429 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.256 -3.917 13.099 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.894 -3.052 15.668 1.00 0.00 C ATOM 0 H ILE A 54 18.631 -0.234 12.856 1.00 0.00 H new ATOM 0 HA ILE A 54 19.671 -2.444 11.159 1.00 0.00 H new ATOM 0 HB ILE A 54 18.105 -3.632 13.190 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.033 -1.645 14.478 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.300 -1.397 14.403 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.287 -4.561 13.978 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.216 -4.532 12.200 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.150 -3.294 13.074 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.943 -2.438 16.567 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.925 -3.549 15.621 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.685 -3.801 15.697 1.00 0.00 H new ATOM 756 N THR A 55 17.275 -3.309 10.776 1.00 0.00 N ATOM 757 CA THR A 55 15.943 -3.514 10.175 1.00 0.00 C ATOM 758 C THR A 55 15.425 -4.908 10.556 1.00 0.00 C ATOM 759 O THR A 55 15.751 -5.409 11.621 1.00 0.00 O ATOM 760 CB THR A 55 16.078 -3.380 8.648 1.00 0.00 C ATOM 761 OG1 THR A 55 14.768 -3.510 8.146 1.00 0.00 O ATOM 762 CG2 THR A 55 16.852 -4.558 8.029 1.00 0.00 C ATOM 0 H THR A 55 17.912 -4.101 10.689 1.00 0.00 H new ATOM 0 HA THR A 55 15.233 -2.772 10.541 1.00 0.00 H new ATOM 0 HB THR A 55 16.588 -2.445 8.416 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.804 -3.740 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.922 -4.420 6.950 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.854 -4.599 8.456 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.328 -5.490 8.243 1.00 0.00 H new ATOM 770 N ASP A 56 14.648 -5.523 9.696 1.00 0.00 N ATOM 771 CA ASP A 56 14.128 -6.879 10.043 1.00 0.00 C ATOM 772 C ASP A 56 13.981 -7.773 8.809 1.00 0.00 C ATOM 773 O ASP A 56 13.294 -8.775 8.855 1.00 0.00 O ATOM 774 CB ASP A 56 12.749 -6.708 10.694 1.00 0.00 C ATOM 775 CG ASP A 56 12.820 -7.170 12.152 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.639 -8.361 12.351 1.00 0.00 O ATOM 777 OD2 ASP A 56 13.049 -6.307 12.983 1.00 0.00 O ATOM 0 H ASP A 56 14.358 -5.154 8.790 1.00 0.00 H new ATOM 0 HA ASP A 56 14.838 -7.357 10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.437 -5.665 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.003 -7.289 10.152 1.00 0.00 H new ATOM 782 N PHE A 57 14.625 -7.401 7.734 1.00 0.00 N ATOM 783 CA PHE A 57 14.521 -8.236 6.500 1.00 0.00 C ATOM 784 C PHE A 57 15.843 -8.273 5.734 1.00 0.00 C ATOM 785 O PHE A 57 15.954 -8.949 4.730 1.00 0.00 O ATOM 786 CB PHE A 57 13.439 -7.644 5.582 1.00 0.00 C ATOM 787 CG PHE A 57 13.279 -6.145 5.851 1.00 0.00 C ATOM 788 CD1 PHE A 57 12.467 -5.697 6.879 1.00 0.00 C ATOM 789 CD2 PHE A 57 13.921 -5.217 5.049 1.00 0.00 C ATOM 790 CE1 PHE A 57 12.299 -4.345 7.097 1.00 0.00 C ATOM 791 CE2 PHE A 57 13.751 -3.865 5.270 1.00 0.00 C ATOM 792 CZ PHE A 57 12.941 -3.431 6.293 1.00 0.00 C ATOM 0 H PHE A 57 15.210 -6.569 7.656 1.00 0.00 H new ATOM 0 HA PHE A 57 14.266 -9.252 6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.708 -7.807 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.491 -8.154 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.962 -6.410 7.514 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.559 -5.553 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.663 -4.003 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.255 -3.148 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.809 -2.373 6.465 1.00 0.00 H new ATOM 802 N CYS A 58 16.821 -7.558 6.215 1.00 0.00 N ATOM 803 CA CYS A 58 18.127 -7.553 5.517 1.00 0.00 C ATOM 804 C CYS A 58 17.939 -7.291 4.029 1.00 0.00 C ATOM 805 O CYS A 58 17.637 -8.186 3.263 1.00 0.00 O ATOM 806 CB CYS A 58 18.788 -8.924 5.703 1.00 0.00 C ATOM 807 SG CYS A 58 20.281 -8.998 6.721 1.00 0.00 S ATOM 0 H CYS A 58 16.770 -6.982 7.055 1.00 0.00 H new ATOM 0 HA CYS A 58 18.752 -6.764 5.935 1.00 0.00 H new ATOM 0 HB2 CYS A 58 18.050 -9.597 6.139 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.034 -9.316 4.716 1.00 0.00 H new ATOM 812 N TYR A 59 18.109 -6.064 3.655 1.00 0.00 N ATOM 813 CA TYR A 59 17.950 -5.701 2.227 1.00 0.00 C ATOM 814 C TYR A 59 18.630 -6.741 1.324 1.00 0.00 C ATOM 815 O TYR A 59 19.420 -7.539 1.788 1.00 0.00 O ATOM 816 CB TYR A 59 18.590 -4.320 2.015 1.00 0.00 C ATOM 817 CG TYR A 59 18.543 -3.540 3.337 1.00 0.00 C ATOM 818 CD1 TYR A 59 17.333 -3.222 3.921 1.00 0.00 C ATOM 819 CD2 TYR A 59 19.709 -3.142 3.963 1.00 0.00 C ATOM 820 CE1 TYR A 59 17.289 -2.519 5.109 1.00 0.00 C ATOM 821 CE2 TYR A 59 19.664 -2.439 5.149 1.00 0.00 C ATOM 822 CZ TYR A 59 18.455 -2.122 5.731 1.00 0.00 C ATOM 823 OH TYR A 59 18.411 -1.424 6.920 1.00 0.00 O ATOM 0 H TYR A 59 18.352 -5.293 4.276 1.00 0.00 H new ATOM 0 HA TYR A 59 16.892 -5.675 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.621 -4.430 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.058 -3.774 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.413 -3.526 3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.664 -3.383 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.335 -2.278 5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.584 -2.134 5.626 1.00 0.00 H new ATOM 0 HH TYR A 59 19.324 -1.226 7.217 1.00 0.00 H new ATOM 833 N GLU A 60 18.312 -6.712 0.052 1.00 0.00 N ATOM 834 CA GLU A 60 18.935 -7.698 -0.882 1.00 0.00 C ATOM 835 C GLU A 60 20.351 -7.252 -1.318 1.00 0.00 C ATOM 836 O GLU A 60 20.612 -6.073 -1.445 1.00 0.00 O ATOM 837 CB GLU A 60 18.042 -7.787 -2.131 1.00 0.00 C ATOM 838 CG GLU A 60 16.852 -8.701 -1.833 1.00 0.00 C ATOM 839 CD GLU A 60 17.299 -10.162 -1.914 1.00 0.00 C ATOM 840 OE1 GLU A 60 17.752 -10.531 -2.984 1.00 0.00 O ATOM 841 OE2 GLU A 60 17.159 -10.828 -0.900 1.00 0.00 O ATOM 0 H GLU A 60 17.657 -6.057 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 60 19.024 -8.659 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.692 -6.794 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.613 -8.176 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.454 -8.486 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.049 -8.515 -2.546 1.00 0.00 H new ATOM 848 N PRO A 61 21.237 -8.220 -1.595 1.00 0.00 N ATOM 849 CA PRO A 61 22.606 -7.905 -2.013 1.00 0.00 C ATOM 850 C PRO A 61 22.623 -6.796 -3.054 1.00 0.00 C ATOM 851 O PRO A 61 21.654 -6.581 -3.755 1.00 0.00 O ATOM 852 CB PRO A 61 23.142 -9.217 -2.620 1.00 0.00 C ATOM 853 CG PRO A 61 22.104 -10.333 -2.299 1.00 0.00 C ATOM 854 CD PRO A 61 20.917 -9.661 -1.588 1.00 0.00 C ATOM 0 HA PRO A 61 23.211 -7.551 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.277 -9.115 -3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.116 -9.466 -2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.775 -10.827 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.548 -11.100 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.980 -9.860 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.802 -10.035 -0.571 1.00 0.00 H new ATOM 862 N CYS A 62 23.727 -6.110 -3.137 1.00 0.00 N ATOM 863 CA CYS A 62 23.824 -5.009 -4.124 1.00 0.00 C ATOM 864 C CYS A 62 23.948 -5.499 -5.556 1.00 0.00 C ATOM 865 O CYS A 62 24.531 -6.527 -5.836 1.00 0.00 O ATOM 866 CB CYS A 62 25.056 -4.157 -3.788 1.00 0.00 C ATOM 867 SG CYS A 62 24.780 -2.399 -3.434 1.00 0.00 S ATOM 0 H CYS A 62 24.559 -6.265 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 62 22.901 -4.433 -4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 62 25.548 -4.602 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.753 -4.228 -4.623 1.00 0.00 H new