USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 393 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 Single : A 6 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.191 (180deg=-0.851) USER MOD Single : A 9 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.15 (180deg=0.00475) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.865 USER MOD Single : A 24 GLN :FLIP amide:sc= -1.63 F(o=-2.4!,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= -9.7! (180deg=-12.7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.908! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -3.94! C(o=-3.9!,f=-10!) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.884 F(o=-4!,f=-0.88) USER MOD Single : A 56 LYS NZ :NH3+ -127:sc= -0.57 (180deg=-1.82!) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -8.236 10.089 -0.260 1.00 0.00 N ATOM 66 CA CYS A 5 -7.529 10.289 1.041 1.00 0.00 C ATOM 67 C CYS A 5 -6.856 11.666 1.068 1.00 0.00 C ATOM 68 O CYS A 5 -7.134 12.507 0.236 1.00 0.00 O ATOM 69 CB CYS A 5 -6.474 9.199 1.212 1.00 0.00 C ATOM 70 SG CYS A 5 -6.933 7.516 0.724 1.00 0.00 S ATOM 0 HA CYS A 5 -8.251 10.234 1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.594 9.488 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.178 9.177 2.261 1.00 0.00 H new ATOM 75 N THR A 6 -5.984 11.860 2.024 1.00 0.00 N ATOM 76 CA THR A 6 -5.287 13.177 2.137 1.00 0.00 C ATOM 77 C THR A 6 -3.812 13.060 1.725 1.00 0.00 C ATOM 78 O THR A 6 -3.455 13.334 0.597 1.00 0.00 O ATOM 79 CB THR A 6 -5.368 13.650 3.588 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.411 12.452 4.358 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.685 14.364 3.876 1.00 0.00 C ATOM 0 H THR A 6 -5.725 11.168 2.727 1.00 0.00 H new ATOM 0 HA THR A 6 -5.772 13.890 1.471 1.00 0.00 H new ATOM 0 HB THR A 6 -4.539 14.323 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.462 12.677 5.310 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.705 14.685 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.777 15.234 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.516 13.683 3.690 1.00 0.00 H new ATOM 89 N LYS A 7 -2.990 12.655 2.655 1.00 0.00 N ATOM 90 CA LYS A 7 -1.529 12.536 2.350 1.00 0.00 C ATOM 91 C LYS A 7 -1.305 11.656 1.094 1.00 0.00 C ATOM 92 O LYS A 7 -2.152 10.859 0.740 1.00 0.00 O ATOM 93 CB LYS A 7 -0.832 11.889 3.554 1.00 0.00 C ATOM 94 CG LYS A 7 -0.223 12.977 4.450 1.00 0.00 C ATOM 95 CD LYS A 7 -1.346 13.833 5.043 1.00 0.00 C ATOM 96 CE LYS A 7 -0.739 14.906 5.947 1.00 0.00 C ATOM 97 NZ LYS A 7 0.283 14.312 6.852 1.00 0.00 N ATOM 0 H LYS A 7 -3.260 12.403 3.606 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.118 13.527 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.547 11.295 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.052 11.208 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.362 12.521 5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.458 13.601 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.925 14.298 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.034 13.208 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.283 15.687 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.524 15.379 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.449 14.952 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.057 13.394 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.172 14.174 6.329 1.00 0.00 H new ATOM 111 N PRO A 8 -0.154 11.823 0.437 1.00 0.00 N ATOM 112 CA PRO A 8 0.172 11.031 -0.760 1.00 0.00 C ATOM 113 C PRO A 8 0.207 9.533 -0.426 1.00 0.00 C ATOM 114 O PRO A 8 -0.100 9.136 0.678 1.00 0.00 O ATOM 115 CB PRO A 8 1.564 11.508 -1.197 1.00 0.00 C ATOM 116 CG PRO A 8 2.053 12.542 -0.141 1.00 0.00 C ATOM 117 CD PRO A 8 0.886 12.800 0.827 1.00 0.00 C ATOM 0 HA PRO A 8 -0.573 11.164 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.255 10.668 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.521 11.961 -2.187 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.920 12.160 0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.361 13.468 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.193 12.658 1.863 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.520 13.823 0.741 1.00 0.00 H new ATOM 125 N ASN A 9 0.592 8.738 -1.395 1.00 0.00 N ATOM 126 CA ASN A 9 0.657 7.258 -1.166 1.00 0.00 C ATOM 127 C ASN A 9 -0.702 6.729 -0.699 1.00 0.00 C ATOM 128 O ASN A 9 -1.448 6.166 -1.474 1.00 0.00 O ATOM 129 CB ASN A 9 1.722 6.949 -0.111 1.00 0.00 C ATOM 130 CG ASN A 9 3.058 7.569 -0.535 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.868 6.944 -1.195 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.326 8.795 -0.177 1.00 0.00 N ATOM 0 H ASN A 9 0.863 9.046 -2.329 1.00 0.00 H new ATOM 0 HA ASN A 9 0.919 6.768 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.416 7.346 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.830 5.871 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.210 9.224 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.651 9.324 0.376 1.00 0.00 H new ATOM 139 N GLU A 10 -0.994 6.918 0.560 1.00 0.00 N ATOM 140 CA GLU A 10 -2.302 6.435 1.090 1.00 0.00 C ATOM 141 C GLU A 10 -3.426 6.783 0.111 1.00 0.00 C ATOM 142 O GLU A 10 -3.854 7.918 0.029 1.00 0.00 O ATOM 143 CB GLU A 10 -2.575 7.105 2.436 1.00 0.00 C ATOM 144 CG GLU A 10 -1.892 6.299 3.543 1.00 0.00 C ATOM 145 CD GLU A 10 -1.843 7.138 4.822 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.656 8.043 4.906 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.996 6.824 5.641 1.00 0.00 O ATOM 0 H GLU A 10 -0.390 7.381 1.239 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.263 5.353 1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.200 8.128 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.648 7.160 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.437 5.372 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.883 6.022 3.237 1.00 0.00 H new ATOM 154 N GLN A 11 -3.875 5.792 -0.613 1.00 0.00 N ATOM 155 CA GLN A 11 -4.970 6.025 -1.598 1.00 0.00 C ATOM 156 C GLN A 11 -6.019 4.928 -1.460 1.00 0.00 C ATOM 157 O GLN A 11 -5.778 3.913 -0.840 1.00 0.00 O ATOM 158 CB GLN A 11 -4.392 6.012 -3.009 1.00 0.00 C ATOM 159 CG GLN A 11 -5.173 6.998 -3.876 1.00 0.00 C ATOM 160 CD GLN A 11 -4.903 6.701 -5.352 1.00 0.00 C ATOM 161 OE1 GLN A 11 -3.826 6.946 -5.859 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.852 6.172 -6.075 1.00 0.00 N ATOM 0 H GLN A 11 -3.531 4.833 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.435 6.992 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.337 6.285 -2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.453 5.009 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.240 6.918 -3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.878 8.020 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.758 5.964 -5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.688 5.966 -7.060 1.00 0.00 H new ATOM 171 N TRP A 12 -7.157 5.146 -2.040 1.00 0.00 N ATOM 172 CA TRP A 12 -8.232 4.123 -1.931 1.00 0.00 C ATOM 173 C TRP A 12 -7.763 2.773 -2.455 1.00 0.00 C ATOM 174 O TRP A 12 -7.066 2.692 -3.448 1.00 0.00 O ATOM 175 CB TRP A 12 -9.433 4.553 -2.749 1.00 0.00 C ATOM 176 CG TRP A 12 -10.439 3.401 -2.764 1.00 0.00 C ATOM 177 CD1 TRP A 12 -10.580 2.526 -3.761 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.287 3.144 -1.797 1.00 0.00 C ATOM 179 NE1 TRP A 12 -11.574 1.724 -3.336 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.077 2.053 -2.102 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.444 3.789 -0.588 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.024 1.616 -1.211 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.392 3.350 0.310 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.185 2.264 -0.003 1.00 0.00 C ATOM 0 H TRP A 12 -7.393 5.978 -2.581 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.494 4.030 -0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.885 5.447 -2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.130 4.806 -3.765 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.028 2.474 -4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -11.924 0.938 -3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.823 4.639 -0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -13.643 0.765 -1.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.515 3.854 1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.932 1.921 0.698 1.00 0.00 H new ATOM 195 N THR A 13 -8.155 1.738 -1.770 1.00 0.00 N ATOM 196 CA THR A 13 -7.782 0.379 -2.231 1.00 0.00 C ATOM 197 C THR A 13 -8.924 -0.590 -1.918 1.00 0.00 C ATOM 198 O THR A 13 -9.538 -0.511 -0.874 1.00 0.00 O ATOM 199 CB THR A 13 -6.501 -0.078 -1.523 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.454 -1.486 -1.733 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.594 0.101 -0.012 1.00 0.00 C ATOM 0 H THR A 13 -8.713 1.775 -0.917 1.00 0.00 H new ATOM 0 HA THR A 13 -7.603 0.395 -3.306 1.00 0.00 H new ATOM 0 HB THR A 13 -5.649 0.488 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.653 -1.854 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.666 -0.234 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.756 1.154 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.426 -0.488 0.374 1.00 0.00 H new ATOM 209 N LYS A 14 -9.199 -1.474 -2.831 1.00 0.00 N ATOM 210 CA LYS A 14 -10.305 -2.438 -2.585 1.00 0.00 C ATOM 211 C LYS A 14 -9.847 -3.512 -1.591 1.00 0.00 C ATOM 212 O LYS A 14 -10.452 -3.692 -0.550 1.00 0.00 O ATOM 213 CB LYS A 14 -10.718 -3.097 -3.907 1.00 0.00 C ATOM 214 CG LYS A 14 -11.467 -2.080 -4.799 1.00 0.00 C ATOM 215 CD LYS A 14 -10.462 -1.208 -5.567 1.00 0.00 C ATOM 216 CE LYS A 14 -11.212 -0.396 -6.624 1.00 0.00 C ATOM 217 NZ LYS A 14 -10.590 0.948 -6.786 1.00 0.00 N ATOM 0 H LYS A 14 -8.716 -1.572 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.159 -1.905 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.836 -3.468 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.357 -3.958 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.113 -2.607 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.111 -1.451 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.940 -0.541 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.705 -1.834 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.199 -0.927 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.257 -0.287 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.998 1.421 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.774 1.520 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.564 0.842 -6.917 1.00 0.00 H new ATOM 231 N CYS A 15 -8.787 -4.204 -1.931 1.00 0.00 N ATOM 232 CA CYS A 15 -8.274 -5.268 -1.012 1.00 0.00 C ATOM 233 C CYS A 15 -7.042 -4.764 -0.251 1.00 0.00 C ATOM 234 O CYS A 15 -5.970 -4.647 -0.811 1.00 0.00 O ATOM 235 CB CYS A 15 -7.885 -6.503 -1.824 1.00 0.00 C ATOM 236 SG CYS A 15 -6.423 -7.425 -1.274 1.00 0.00 S ATOM 0 H CYS A 15 -8.260 -4.081 -2.795 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.059 -5.522 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.734 -7.186 -1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.721 -6.192 -2.856 1.00 0.00 H new ATOM 241 N GLY A 16 -7.222 -4.475 1.008 1.00 0.00 N ATOM 242 CA GLY A 16 -6.072 -3.984 1.818 1.00 0.00 C ATOM 243 C GLY A 16 -5.415 -5.147 2.567 1.00 0.00 C ATOM 244 O GLY A 16 -5.562 -6.293 2.191 1.00 0.00 O ATOM 0 H GLY A 16 -8.107 -4.556 1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.341 -3.501 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.414 -3.232 2.529 1.00 0.00 H new ATOM 248 N GLY A 17 -4.703 -4.826 3.613 1.00 0.00 N ATOM 249 CA GLY A 17 -4.037 -5.901 4.403 1.00 0.00 C ATOM 250 C GLY A 17 -2.709 -6.301 3.757 1.00 0.00 C ATOM 251 O GLY A 17 -1.652 -5.914 4.214 1.00 0.00 O ATOM 0 H GLY A 17 -4.554 -3.876 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.862 -5.556 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.692 -6.770 4.469 1.00 0.00 H new ATOM 255 N CYS A 18 -2.792 -7.069 2.706 1.00 0.00 N ATOM 256 CA CYS A 18 -1.541 -7.511 2.023 1.00 0.00 C ATOM 257 C CYS A 18 -1.076 -6.450 1.022 1.00 0.00 C ATOM 258 O CYS A 18 -1.850 -5.623 0.584 1.00 0.00 O ATOM 259 CB CYS A 18 -1.814 -8.819 1.283 1.00 0.00 C ATOM 260 SG CYS A 18 -2.244 -10.262 2.283 1.00 0.00 S ATOM 0 H CYS A 18 -3.661 -7.407 2.293 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.759 -7.657 2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.625 -8.644 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.929 -9.066 0.697 1.00 0.00 H new ATOM 265 N GLU A 19 0.183 -6.498 0.686 1.00 0.00 N ATOM 266 CA GLU A 19 0.722 -5.503 -0.284 1.00 0.00 C ATOM 267 C GLU A 19 2.087 -5.962 -0.807 1.00 0.00 C ATOM 268 O GLU A 19 2.314 -7.141 -0.994 1.00 0.00 O ATOM 269 CB GLU A 19 0.867 -4.152 0.412 1.00 0.00 C ATOM 270 CG GLU A 19 0.767 -3.038 -0.633 1.00 0.00 C ATOM 271 CD GLU A 19 -0.706 -2.720 -0.899 1.00 0.00 C ATOM 272 OE1 GLU A 19 -1.516 -3.551 -0.519 1.00 0.00 O ATOM 273 OE2 GLU A 19 -0.939 -1.665 -1.467 1.00 0.00 O ATOM 0 H GLU A 19 0.858 -7.177 1.038 1.00 0.00 H new ATOM 0 HA GLU A 19 0.035 -5.413 -1.126 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.089 -4.032 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.824 -4.097 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.285 -2.146 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.256 -3.346 -1.557 1.00 0.00 H new ATOM 280 N GLY A 20 2.963 -5.014 -1.034 1.00 0.00 N ATOM 281 CA GLY A 20 4.318 -5.365 -1.553 1.00 0.00 C ATOM 282 C GLY A 20 5.403 -4.676 -0.730 1.00 0.00 C ATOM 283 O GLY A 20 5.121 -4.028 0.259 1.00 0.00 O ATOM 0 H GLY A 20 2.798 -4.019 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.458 -6.445 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.402 -5.066 -2.598 1.00 0.00 H new ATOM 287 N THR A 21 6.626 -4.827 -1.159 1.00 0.00 N ATOM 288 CA THR A 21 7.750 -4.191 -0.412 1.00 0.00 C ATOM 289 C THR A 21 8.879 -3.822 -1.377 1.00 0.00 C ATOM 290 O THR A 21 8.755 -3.991 -2.574 1.00 0.00 O ATOM 291 CB THR A 21 8.277 -5.176 0.638 1.00 0.00 C ATOM 292 OG1 THR A 21 9.080 -6.095 -0.099 1.00 0.00 O ATOM 293 CG2 THR A 21 7.154 -6.018 1.240 1.00 0.00 C ATOM 0 H THR A 21 6.895 -5.358 -1.987 1.00 0.00 H new ATOM 0 HA THR A 21 7.391 -3.285 0.077 1.00 0.00 H new ATOM 0 HB THR A 21 8.785 -4.631 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.457 -6.762 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.569 -6.703 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.426 -5.364 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.664 -6.589 0.451 1.00 0.00 H new ATOM 301 N CYS A 22 9.960 -3.332 -0.836 1.00 0.00 N ATOM 302 CA CYS A 22 11.105 -2.952 -1.710 1.00 0.00 C ATOM 303 C CYS A 22 11.803 -4.213 -2.218 1.00 0.00 C ATOM 304 O CYS A 22 12.840 -4.144 -2.846 1.00 0.00 O ATOM 305 CB CYS A 22 12.092 -2.108 -0.903 1.00 0.00 C ATOM 306 SG CYS A 22 13.325 -1.162 -1.825 1.00 0.00 S ATOM 0 H CYS A 22 10.100 -3.179 0.163 1.00 0.00 H new ATOM 0 HA CYS A 22 10.742 -2.377 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.518 -1.410 -0.294 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.620 -2.771 -0.217 1.00 0.00 H new ATOM 311 N ALA A 23 11.209 -5.340 -1.925 1.00 0.00 N ATOM 312 CA ALA A 23 11.806 -6.634 -2.369 1.00 0.00 C ATOM 313 C ALA A 23 10.731 -7.535 -2.992 1.00 0.00 C ATOM 314 O ALA A 23 11.040 -8.490 -3.677 1.00 0.00 O ATOM 315 CB ALA A 23 12.417 -7.331 -1.157 1.00 0.00 C ATOM 0 H ALA A 23 10.339 -5.420 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 23 12.572 -6.440 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.858 -8.279 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.190 -6.696 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.641 -7.517 -0.414 1.00 0.00 H new ATOM 321 N GLN A 24 9.486 -7.211 -2.745 1.00 0.00 N ATOM 322 CA GLN A 24 8.383 -8.042 -3.314 1.00 0.00 C ATOM 323 C GLN A 24 7.190 -7.153 -3.672 1.00 0.00 C ATOM 324 O GLN A 24 6.277 -6.991 -2.888 1.00 0.00 O ATOM 325 CB GLN A 24 7.950 -9.080 -2.280 1.00 0.00 C ATOM 326 CG GLN A 24 8.712 -10.385 -2.520 1.00 0.00 C ATOM 327 CD GLN A 24 8.177 -11.059 -3.785 1.00 0.00 C ATOM 328 OE1 GLN A 24 6.887 -11.135 -3.965 1.00 0.00 O flip ATOM 329 NE2 GLN A 24 8.929 -11.523 -4.620 1.00 0.00 N flip ATOM 0 H GLN A 24 9.189 -6.416 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 24 8.738 -8.543 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.147 -8.711 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.876 -9.254 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.778 -10.183 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.597 -11.049 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.938 -11.467 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.550 -11.969 -5.456 1.00 0.00 H new ATOM 338 N LYS A 25 7.222 -6.596 -4.850 1.00 0.00 N ATOM 339 CA LYS A 25 6.100 -5.710 -5.273 1.00 0.00 C ATOM 340 C LYS A 25 4.748 -6.372 -4.966 1.00 0.00 C ATOM 341 O LYS A 25 3.765 -5.694 -4.740 1.00 0.00 O ATOM 342 CB LYS A 25 6.216 -5.442 -6.782 1.00 0.00 C ATOM 343 CG LYS A 25 5.144 -4.424 -7.226 1.00 0.00 C ATOM 344 CD LYS A 25 5.483 -3.022 -6.694 1.00 0.00 C ATOM 345 CE LYS A 25 4.409 -2.591 -5.694 1.00 0.00 C ATOM 346 NZ LYS A 25 4.694 -1.223 -5.180 1.00 0.00 N ATOM 0 H LYS A 25 7.969 -6.714 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 25 6.157 -4.771 -4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.210 -5.060 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.095 -6.374 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.083 -4.402 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.166 -4.733 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.462 -3.029 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.537 -2.310 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.430 -2.609 -6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.372 -3.297 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.798 -1.255 -4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.575 -0.869 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.909 -0.588 -5.430 1.00 0.00 H new ATOM 360 N ILE A 26 4.724 -7.680 -4.979 1.00 0.00 N ATOM 361 CA ILE A 26 3.446 -8.391 -4.691 1.00 0.00 C ATOM 362 C ILE A 26 3.709 -9.627 -3.822 1.00 0.00 C ATOM 363 O ILE A 26 4.575 -10.425 -4.117 1.00 0.00 O ATOM 364 CB ILE A 26 2.820 -8.816 -6.016 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.730 -7.592 -6.933 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.410 -9.370 -5.774 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.955 -7.965 -8.198 1.00 0.00 C ATOM 0 H ILE A 26 5.526 -8.280 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 26 2.771 -7.728 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 26 3.433 -9.590 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.232 -6.772 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.730 -7.244 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.969 -9.671 -6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.467 -10.233 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.790 -8.600 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.889 -7.097 -8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.472 -8.772 -8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.951 -8.292 -7.927 1.00 0.00 H new ATOM 379 N VAL A 27 2.943 -9.751 -2.769 1.00 0.00 N ATOM 380 CA VAL A 27 3.113 -10.919 -1.855 1.00 0.00 C ATOM 381 C VAL A 27 1.915 -11.899 -2.043 1.00 0.00 C ATOM 382 O VAL A 27 0.783 -11.462 -2.089 1.00 0.00 O ATOM 383 CB VAL A 27 3.118 -10.397 -0.414 1.00 0.00 C ATOM 384 CG1 VAL A 27 1.734 -9.836 -0.079 1.00 0.00 C ATOM 385 CG2 VAL A 27 3.441 -11.541 0.548 1.00 0.00 C ATOM 0 H VAL A 27 2.209 -9.095 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 27 4.044 -11.442 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 27 3.871 -9.616 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.731 -9.463 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.496 -9.021 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.988 -10.624 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.444 -11.166 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.688 -12.323 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.422 -11.951 0.309 1.00 0.00 H new ATOM 395 N PRO A 28 2.174 -13.211 -2.150 1.00 0.00 N ATOM 396 CA PRO A 28 1.078 -14.176 -2.324 1.00 0.00 C ATOM 397 C PRO A 28 0.122 -14.120 -1.133 1.00 0.00 C ATOM 398 O PRO A 28 0.530 -14.276 0.001 1.00 0.00 O ATOM 399 CB PRO A 28 1.749 -15.551 -2.394 1.00 0.00 C ATOM 400 CG PRO A 28 3.271 -15.337 -2.159 1.00 0.00 C ATOM 401 CD PRO A 28 3.520 -13.818 -2.103 1.00 0.00 C ATOM 0 HA PRO A 28 0.493 -13.961 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.334 -16.220 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.572 -16.016 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.586 -15.812 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.851 -15.792 -2.962 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.048 -13.537 -1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.132 -13.487 -2.942 1.00 0.00 H new ATOM 409 N CYS A 29 -1.130 -13.897 -1.413 1.00 0.00 N ATOM 410 CA CYS A 29 -2.120 -13.832 -0.304 1.00 0.00 C ATOM 411 C CYS A 29 -3.461 -14.404 -0.760 1.00 0.00 C ATOM 412 O CYS A 29 -4.053 -13.935 -1.712 1.00 0.00 O ATOM 413 CB CYS A 29 -2.297 -12.380 0.126 1.00 0.00 C ATOM 414 SG CYS A 29 -1.206 -11.769 1.434 1.00 0.00 S ATOM 0 H CYS A 29 -1.508 -13.758 -2.350 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.757 -14.422 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.160 -11.748 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.327 -12.248 0.456 1.00 0.00 H new ATOM 419 N THR A 30 -3.905 -15.412 -0.068 1.00 0.00 N ATOM 420 CA THR A 30 -5.205 -16.045 -0.425 1.00 0.00 C ATOM 421 C THR A 30 -6.331 -15.016 -0.365 1.00 0.00 C ATOM 422 O THR A 30 -6.116 -13.837 -0.569 1.00 0.00 O ATOM 423 CB THR A 30 -5.479 -17.173 0.567 1.00 0.00 C ATOM 424 OG1 THR A 30 -6.192 -16.554 1.634 1.00 0.00 O ATOM 425 CG2 THR A 30 -4.180 -17.685 1.188 1.00 0.00 C ATOM 0 H THR A 30 -3.425 -15.827 0.731 1.00 0.00 H new ATOM 0 HA THR A 30 -5.157 -16.439 -1.440 1.00 0.00 H new ATOM 0 HB THR A 30 -5.997 -17.994 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.406 -17.224 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.404 -18.488 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.525 -18.062 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.683 -16.870 1.715 1.00 0.00 H new ATOM 433 N ARG A 31 -7.510 -15.488 -0.098 1.00 0.00 N ATOM 434 CA ARG A 31 -8.673 -14.555 -0.016 1.00 0.00 C ATOM 435 C ARG A 31 -8.610 -13.738 1.279 1.00 0.00 C ATOM 436 O ARG A 31 -9.623 -13.471 1.896 1.00 0.00 O ATOM 437 CB ARG A 31 -9.970 -15.361 -0.048 1.00 0.00 C ATOM 438 CG ARG A 31 -10.188 -15.907 -1.461 1.00 0.00 C ATOM 439 CD ARG A 31 -11.532 -16.637 -1.514 1.00 0.00 C ATOM 440 NE ARG A 31 -12.622 -15.636 -1.700 1.00 0.00 N ATOM 441 CZ ARG A 31 -13.850 -15.966 -1.412 1.00 0.00 C ATOM 442 NH1 ARG A 31 -14.423 -16.924 -2.089 1.00 0.00 N ATOM 443 NH2 ARG A 31 -14.467 -15.326 -0.457 1.00 0.00 N ATOM 0 H ARG A 31 -7.724 -16.471 0.067 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.641 -13.872 -0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.920 -16.181 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.810 -14.732 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.174 -15.092 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.380 -16.587 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.538 -17.356 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.691 -17.200 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.409 -14.702 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.910 -17.402 -2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.383 -17.195 -1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.988 -14.582 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.428 -15.570 -0.217 1.00 0.00 H new ATOM 457 N GLU A 32 -7.421 -13.362 1.654 1.00 0.00 N ATOM 458 CA GLU A 32 -7.253 -12.555 2.902 1.00 0.00 C ATOM 459 C GLU A 32 -6.970 -11.091 2.548 1.00 0.00 C ATOM 460 O GLU A 32 -5.854 -10.732 2.228 1.00 0.00 O ATOM 461 CB GLU A 32 -6.084 -13.120 3.707 1.00 0.00 C ATOM 462 CG GLU A 32 -6.441 -14.526 4.192 1.00 0.00 C ATOM 463 CD GLU A 32 -5.167 -15.249 4.629 1.00 0.00 C ATOM 464 OE1 GLU A 32 -4.262 -15.293 3.812 1.00 0.00 O ATOM 465 OE2 GLU A 32 -5.169 -15.718 5.755 1.00 0.00 O ATOM 0 H GLU A 32 -6.558 -13.576 1.155 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.169 -12.605 3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.185 -13.152 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.866 -12.473 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.144 -14.469 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.934 -15.083 3.396 1.00 0.00 H new ATOM 472 N CYS A 33 -7.991 -10.279 2.611 1.00 0.00 N ATOM 473 CA CYS A 33 -7.804 -8.833 2.278 1.00 0.00 C ATOM 474 C CYS A 33 -8.646 -7.962 3.218 1.00 0.00 C ATOM 475 O CYS A 33 -9.822 -8.206 3.402 1.00 0.00 O ATOM 476 CB CYS A 33 -8.256 -8.587 0.839 1.00 0.00 C ATOM 477 SG CYS A 33 -7.166 -9.139 -0.496 1.00 0.00 S ATOM 0 H CYS A 33 -8.938 -10.549 2.876 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.751 -8.575 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.222 -9.073 0.704 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.418 -7.516 0.718 1.00 0.00 H new ATOM 482 N LYS A 34 -8.030 -6.964 3.793 1.00 0.00 N ATOM 483 CA LYS A 34 -8.798 -6.070 4.709 1.00 0.00 C ATOM 484 C LYS A 34 -9.936 -5.395 3.912 1.00 0.00 C ATOM 485 O LYS A 34 -9.859 -5.294 2.703 1.00 0.00 O ATOM 486 CB LYS A 34 -7.853 -5.006 5.268 1.00 0.00 C ATOM 487 CG LYS A 34 -7.394 -5.423 6.668 1.00 0.00 C ATOM 488 CD LYS A 34 -6.394 -4.392 7.195 1.00 0.00 C ATOM 489 CE LYS A 34 -5.958 -4.789 8.607 1.00 0.00 C ATOM 490 NZ LYS A 34 -6.842 -4.155 9.625 1.00 0.00 N ATOM 0 H LYS A 34 -7.044 -6.731 3.672 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.224 -6.645 5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.992 -4.887 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.358 -4.041 5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.250 -5.493 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.933 -6.410 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.528 -4.338 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.848 -3.401 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.992 -5.873 8.713 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.925 -4.484 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.532 -4.435 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.789 -3.120 9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.823 -4.466 9.475 1.00 0.00 H new ATOM 504 N PRO A 35 -10.978 -4.943 4.597 1.00 0.00 N ATOM 505 CA PRO A 35 -12.102 -4.292 3.915 1.00 0.00 C ATOM 506 C PRO A 35 -11.606 -3.065 3.101 1.00 0.00 C ATOM 507 O PRO A 35 -10.571 -2.504 3.404 1.00 0.00 O ATOM 508 CB PRO A 35 -13.046 -3.839 5.035 1.00 0.00 C ATOM 509 CG PRO A 35 -12.400 -4.263 6.389 1.00 0.00 C ATOM 510 CD PRO A 35 -11.112 -5.038 6.062 1.00 0.00 C ATOM 0 HA PRO A 35 -12.594 -4.964 3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.192 -2.759 5.001 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.028 -4.297 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.177 -3.387 6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.087 -4.885 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.250 -4.603 6.567 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.182 -6.076 6.387 1.00 0.00 H new ATOM 518 N PRO A 36 -12.361 -2.673 2.081 1.00 0.00 N ATOM 519 CA PRO A 36 -11.992 -1.512 1.252 1.00 0.00 C ATOM 520 C PRO A 36 -11.778 -0.265 2.119 1.00 0.00 C ATOM 521 O PRO A 36 -12.620 0.086 2.922 1.00 0.00 O ATOM 522 CB PRO A 36 -13.182 -1.299 0.314 1.00 0.00 C ATOM 523 CG PRO A 36 -14.185 -2.462 0.553 1.00 0.00 C ATOM 524 CD PRO A 36 -13.614 -3.338 1.679 1.00 0.00 C ATOM 0 HA PRO A 36 -11.061 -1.684 0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.657 -0.338 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.853 -1.285 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.165 -2.073 0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.319 -3.046 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.309 -3.409 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -13.428 -4.355 1.333 1.00 0.00 H new ATOM 532 N ARG A 37 -10.658 0.383 1.927 1.00 0.00 N ATOM 533 CA ARG A 37 -10.371 1.611 2.730 1.00 0.00 C ATOM 534 C ARG A 37 -9.085 2.284 2.231 1.00 0.00 C ATOM 535 O ARG A 37 -8.357 1.723 1.436 1.00 0.00 O ATOM 536 CB ARG A 37 -10.195 1.216 4.201 1.00 0.00 C ATOM 537 CG ARG A 37 -9.914 2.469 5.033 1.00 0.00 C ATOM 538 CD ARG A 37 -10.287 2.193 6.492 1.00 0.00 C ATOM 539 NE ARG A 37 -9.638 0.923 6.927 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.371 -0.145 7.096 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.307 -0.131 8.003 1.00 0.00 N ATOM 542 NH2 ARG A 37 -10.138 -1.192 6.352 1.00 0.00 N ATOM 0 H ARG A 37 -9.936 0.119 1.256 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.201 2.310 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.094 0.718 4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.374 0.507 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.861 2.742 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.490 3.312 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.962 3.018 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.369 2.118 6.596 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.632 0.888 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.458 0.705 8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.889 -0.956 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.395 -1.166 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.699 -2.036 6.469 1.00 0.00 H new ATOM 556 N CYS A 38 -8.850 3.483 2.690 1.00 0.00 N ATOM 557 CA CYS A 38 -7.602 4.200 2.278 1.00 0.00 C ATOM 558 C CYS A 38 -6.369 3.396 2.721 1.00 0.00 C ATOM 559 O CYS A 38 -6.293 2.955 3.851 1.00 0.00 O ATOM 560 CB CYS A 38 -7.574 5.576 2.952 1.00 0.00 C ATOM 561 SG CYS A 38 -8.334 6.960 2.066 1.00 0.00 S ATOM 0 H CYS A 38 -9.460 3.996 3.327 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.588 4.312 1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.067 5.486 3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.533 5.833 3.147 1.00 0.00 H new ATOM 566 N GLU A 39 -5.427 3.220 1.827 1.00 0.00 N ATOM 567 CA GLU A 39 -4.203 2.442 2.204 1.00 0.00 C ATOM 568 C GLU A 39 -3.179 2.448 1.062 1.00 0.00 C ATOM 569 O GLU A 39 -3.308 3.192 0.111 1.00 0.00 O ATOM 570 CB GLU A 39 -4.600 1.001 2.524 1.00 0.00 C ATOM 571 CG GLU A 39 -4.144 0.658 3.943 1.00 0.00 C ATOM 572 CD GLU A 39 -4.561 -0.776 4.277 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.608 -1.163 3.786 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.808 -1.404 5.002 1.00 0.00 O ATOM 0 H GLU A 39 -5.449 3.573 0.870 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.749 2.908 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.680 0.881 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.144 0.318 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.062 0.762 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.586 1.353 4.657 1.00 0.00 H new ATOM 581 N CYS A 40 -2.183 1.609 1.185 1.00 0.00 N ATOM 582 CA CYS A 40 -1.133 1.544 0.123 1.00 0.00 C ATOM 583 C CYS A 40 -1.700 0.912 -1.154 1.00 0.00 C ATOM 584 O CYS A 40 -2.765 0.329 -1.138 1.00 0.00 O ATOM 585 CB CYS A 40 0.039 0.708 0.632 1.00 0.00 C ATOM 586 SG CYS A 40 1.708 1.278 0.228 1.00 0.00 S ATOM 0 H CYS A 40 -2.051 0.970 1.969 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.797 2.554 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.041 0.642 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.075 -0.304 0.242 1.00 0.00 H new ATOM 591 N ILE A 41 -0.968 1.043 -2.235 1.00 0.00 N ATOM 592 CA ILE A 41 -1.449 0.466 -3.532 1.00 0.00 C ATOM 593 C ILE A 41 -0.293 -0.209 -4.280 1.00 0.00 C ATOM 594 O ILE A 41 0.575 0.454 -4.810 1.00 0.00 O ATOM 595 CB ILE A 41 -2.009 1.591 -4.409 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.013 2.424 -3.608 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.710 0.982 -5.624 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.291 3.631 -2.998 1.00 0.00 C ATOM 0 H ILE A 41 -0.067 1.519 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.221 -0.273 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.192 2.233 -4.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.824 2.759 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.462 1.817 -2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.110 1.779 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.996 0.392 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.525 0.340 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.001 4.229 -2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.495 3.284 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.863 4.240 -3.795 1.00 0.00 H new ATOM 610 N ALA A 42 -0.310 -1.510 -4.316 1.00 0.00 N ATOM 611 CA ALA A 42 0.781 -2.232 -5.033 1.00 0.00 C ATOM 612 C ALA A 42 0.566 -2.134 -6.548 1.00 0.00 C ATOM 613 O ALA A 42 1.496 -1.924 -7.301 1.00 0.00 O ATOM 614 CB ALA A 42 0.772 -3.702 -4.615 1.00 0.00 C ATOM 0 H ALA A 42 -1.022 -2.101 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 42 1.739 -1.780 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.568 -4.234 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.931 -3.775 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.190 -4.147 -4.871 1.00 0.00 H new ATOM 620 N SER A 43 -0.663 -2.278 -6.958 1.00 0.00 N ATOM 621 CA SER A 43 -0.966 -2.209 -8.417 1.00 0.00 C ATOM 622 C SER A 43 -0.436 -0.902 -9.014 1.00 0.00 C ATOM 623 O SER A 43 -0.446 -0.723 -10.216 1.00 0.00 O ATOM 624 CB SER A 43 -2.479 -2.280 -8.615 1.00 0.00 C ATOM 625 OG SER A 43 -2.639 -3.086 -9.774 1.00 0.00 O ATOM 0 H SER A 43 -1.467 -2.440 -6.352 1.00 0.00 H new ATOM 0 HA SER A 43 -0.481 -3.045 -8.921 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.974 -2.722 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.910 -1.289 -8.756 1.00 0.00 H new ATOM 0 HG SER A 43 -3.593 -3.185 -9.974 1.00 0.00 H new ATOM 631 N ALA A 44 0.019 -0.021 -8.162 1.00 0.00 N ATOM 632 CA ALA A 44 0.553 1.283 -8.668 1.00 0.00 C ATOM 633 C ALA A 44 2.083 1.286 -8.622 1.00 0.00 C ATOM 634 O ALA A 44 2.731 1.697 -9.565 1.00 0.00 O ATOM 635 CB ALA A 44 0.019 2.412 -7.792 1.00 0.00 C ATOM 0 H ALA A 44 0.045 -0.143 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 44 0.232 1.424 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.403 3.366 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.070 2.420 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.342 2.258 -6.762 1.00 0.00 H new ATOM 641 N GLY A 45 2.623 0.824 -7.525 1.00 0.00 N ATOM 642 CA GLY A 45 4.112 0.793 -7.391 1.00 0.00 C ATOM 643 C GLY A 45 4.543 1.312 -6.015 1.00 0.00 C ATOM 644 O GLY A 45 5.639 1.813 -5.854 1.00 0.00 O ATOM 0 H GLY A 45 2.104 0.469 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.474 -0.226 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.565 1.402 -8.173 1.00 0.00 H new ATOM 648 N PHE A 46 3.672 1.182 -5.050 1.00 0.00 N ATOM 649 CA PHE A 46 4.021 1.662 -3.680 1.00 0.00 C ATOM 650 C PHE A 46 4.555 0.495 -2.840 1.00 0.00 C ATOM 651 O PHE A 46 4.057 -0.610 -2.927 1.00 0.00 O ATOM 652 CB PHE A 46 2.772 2.238 -3.016 1.00 0.00 C ATOM 653 CG PHE A 46 2.428 3.581 -3.665 1.00 0.00 C ATOM 654 CD1 PHE A 46 3.020 4.750 -3.215 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.521 3.647 -4.707 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.706 5.960 -3.801 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.212 4.859 -5.290 1.00 0.00 C ATOM 658 CZ PHE A 46 1.803 6.012 -4.836 1.00 0.00 C ATOM 0 H PHE A 46 2.744 0.769 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 46 4.789 2.432 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.937 1.545 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.942 2.370 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.730 4.715 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.051 2.744 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.171 6.868 -3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.504 4.901 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.558 6.960 -5.292 1.00 0.00 H new ATOM 668 N VAL A 47 5.560 0.772 -2.041 1.00 0.00 N ATOM 669 CA VAL A 47 6.150 -0.311 -1.187 1.00 0.00 C ATOM 670 C VAL A 47 6.172 0.118 0.277 1.00 0.00 C ATOM 671 O VAL A 47 6.237 1.290 0.583 1.00 0.00 O ATOM 672 CB VAL A 47 7.580 -0.585 -1.642 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.558 -1.114 -3.072 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.379 0.718 -1.599 1.00 0.00 C ATOM 0 H VAL A 47 5.993 1.690 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 47 5.541 -1.209 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 47 8.042 -1.322 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.578 -1.312 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.979 -2.037 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.101 -0.372 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.402 0.528 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.918 1.450 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.387 1.106 -0.581 1.00 0.00 H new ATOM 684 N ARG A 48 6.119 -0.850 1.151 1.00 0.00 N ATOM 685 CA ARG A 48 6.143 -0.525 2.601 1.00 0.00 C ATOM 686 C ARG A 48 7.564 -0.667 3.152 1.00 0.00 C ATOM 687 O ARG A 48 8.128 -1.744 3.153 1.00 0.00 O ATOM 688 CB ARG A 48 5.210 -1.481 3.338 1.00 0.00 C ATOM 689 CG ARG A 48 3.976 -1.738 2.471 1.00 0.00 C ATOM 690 CD ARG A 48 2.763 -1.942 3.376 1.00 0.00 C ATOM 691 NE ARG A 48 3.181 -2.710 4.582 1.00 0.00 N ATOM 692 CZ ARG A 48 3.095 -4.012 4.573 1.00 0.00 C ATOM 693 NH1 ARG A 48 3.843 -4.689 3.746 1.00 0.00 N ATOM 694 NH2 ARG A 48 2.262 -4.593 5.394 1.00 0.00 N ATOM 0 H ARG A 48 6.061 -1.843 0.924 1.00 0.00 H new ATOM 0 HA ARG A 48 5.813 0.504 2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.723 -2.419 3.551 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.915 -1.055 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.807 -0.897 1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.132 -2.618 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.346 -0.979 3.669 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.980 -2.479 2.841 1.00 0.00 H new ATOM 0 HE ARG A 48 3.531 -2.223 5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.482 -4.200 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.788 -5.707 3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.693 -4.030 6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.180 -5.610 5.402 1.00 0.00 H new ATOM 708 N ASP A 49 8.115 0.425 3.610 1.00 0.00 N ATOM 709 CA ASP A 49 9.497 0.367 4.163 1.00 0.00 C ATOM 710 C ASP A 49 9.523 -0.539 5.391 1.00 0.00 C ATOM 711 O ASP A 49 8.519 -0.709 6.055 1.00 0.00 O ATOM 712 CB ASP A 49 9.942 1.769 4.561 1.00 0.00 C ATOM 713 CG ASP A 49 11.469 1.813 4.631 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.985 1.216 5.561 1.00 0.00 O ATOM 715 OD2 ASP A 49 12.035 2.441 3.748 1.00 0.00 O ATOM 0 H ASP A 49 7.673 1.344 3.625 1.00 0.00 H new ATOM 0 HA ASP A 49 10.172 -0.032 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.578 2.498 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.514 2.039 5.527 1.00 0.00 H new ATOM 720 N ALA A 50 10.675 -1.094 5.671 1.00 0.00 N ATOM 721 CA ALA A 50 10.790 -1.999 6.849 1.00 0.00 C ATOM 722 C ALA A 50 10.075 -1.384 8.047 1.00 0.00 C ATOM 723 O ALA A 50 9.651 -2.080 8.949 1.00 0.00 O ATOM 724 CB ALA A 50 12.266 -2.201 7.184 1.00 0.00 C ATOM 0 H ALA A 50 11.534 -0.960 5.138 1.00 0.00 H new ATOM 0 HA ALA A 50 10.330 -2.959 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.356 -2.863 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.775 -2.646 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.721 -1.238 7.416 1.00 0.00 H new ATOM 730 N GLN A 51 9.954 -0.088 8.028 1.00 0.00 N ATOM 731 CA GLN A 51 9.265 0.596 9.157 1.00 0.00 C ATOM 732 C GLN A 51 7.754 0.585 8.920 1.00 0.00 C ATOM 733 O GLN A 51 7.032 1.410 9.445 1.00 0.00 O ATOM 734 CB GLN A 51 9.760 2.039 9.247 1.00 0.00 C ATOM 735 CG GLN A 51 11.128 2.057 9.932 1.00 0.00 C ATOM 736 CD GLN A 51 12.103 1.184 9.140 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.058 1.128 7.927 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.998 0.487 9.784 1.00 0.00 N ATOM 0 H GLN A 51 10.298 0.523 7.288 1.00 0.00 H new ATOM 0 HA GLN A 51 9.485 0.075 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.833 2.474 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.050 2.646 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.504 3.078 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.040 1.689 10.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.042 0.529 10.802 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.654 -0.100 9.269 1.00 0.00 H new ATOM 747 N GLY A 52 7.310 -0.353 8.129 1.00 0.00 N ATOM 748 CA GLY A 52 5.854 -0.439 7.838 1.00 0.00 C ATOM 749 C GLY A 52 5.343 0.911 7.344 1.00 0.00 C ATOM 750 O GLY A 52 4.255 1.329 7.693 1.00 0.00 O ATOM 0 H GLY A 52 7.890 -1.059 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.669 -1.205 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.312 -0.737 8.735 1.00 0.00 H new ATOM 754 N ASN A 53 6.143 1.565 6.534 1.00 0.00 N ATOM 755 CA ASN A 53 5.725 2.907 6.004 1.00 0.00 C ATOM 756 C ASN A 53 5.465 2.835 4.496 1.00 0.00 C ATOM 757 O ASN A 53 6.352 2.539 3.724 1.00 0.00 O ATOM 758 CB ASN A 53 6.832 3.920 6.274 1.00 0.00 C ATOM 759 CG ASN A 53 6.693 4.451 7.702 1.00 0.00 C ATOM 760 OD1 ASN A 53 7.303 3.828 8.671 1.00 0.00 O flip ATOM 761 ND2 ASN A 53 6.026 5.438 7.946 1.00 0.00 N flip ATOM 0 H ASN A 53 7.055 1.235 6.219 1.00 0.00 H new ATOM 0 HA ASN A 53 4.806 3.211 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.808 3.454 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.771 4.742 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.547 5.929 7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.946 5.775 8.905 1.00 0.00 H new ATOM 768 N CYS A 54 4.251 3.122 4.112 1.00 0.00 N ATOM 769 CA CYS A 54 3.907 3.076 2.658 1.00 0.00 C ATOM 770 C CYS A 54 4.558 4.249 1.923 1.00 0.00 C ATOM 771 O CYS A 54 4.270 5.395 2.203 1.00 0.00 O ATOM 772 CB CYS A 54 2.389 3.155 2.502 1.00 0.00 C ATOM 773 SG CYS A 54 1.728 3.210 0.817 1.00 0.00 S ATOM 0 H CYS A 54 3.487 3.384 4.734 1.00 0.00 H new ATOM 0 HA CYS A 54 4.277 2.144 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.953 2.293 3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.042 4.043 3.030 1.00 0.00 H new ATOM 778 N ILE A 55 5.419 3.938 0.992 1.00 0.00 N ATOM 779 CA ILE A 55 6.097 5.029 0.232 1.00 0.00 C ATOM 780 C ILE A 55 6.427 4.567 -1.190 1.00 0.00 C ATOM 781 O ILE A 55 6.617 3.394 -1.439 1.00 0.00 O ATOM 782 CB ILE A 55 7.389 5.411 0.951 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.255 4.156 1.123 1.00 0.00 C ATOM 784 CG2 ILE A 55 7.052 5.988 2.327 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.530 4.521 1.887 1.00 0.00 C ATOM 0 H ILE A 55 5.680 2.989 0.726 1.00 0.00 H new ATOM 0 HA ILE A 55 5.430 5.889 0.176 1.00 0.00 H new ATOM 0 HB ILE A 55 7.930 6.156 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.700 3.389 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.508 3.739 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.973 6.261 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.427 6.873 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.516 5.242 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.147 3.631 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.086 5.274 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.266 4.918 2.867 1.00 0.00 H new ATOM 797 N LYS A 56 6.486 5.508 -2.091 1.00 0.00 N ATOM 798 CA LYS A 56 6.809 5.153 -3.506 1.00 0.00 C ATOM 799 C LYS A 56 8.078 4.295 -3.558 1.00 0.00 C ATOM 800 O LYS A 56 8.920 4.376 -2.687 1.00 0.00 O ATOM 801 CB LYS A 56 7.039 6.437 -4.310 1.00 0.00 C ATOM 802 CG LYS A 56 5.793 7.323 -4.224 1.00 0.00 C ATOM 803 CD LYS A 56 6.151 8.742 -4.673 1.00 0.00 C ATOM 804 CE LYS A 56 6.673 8.700 -6.112 1.00 0.00 C ATOM 805 NZ LYS A 56 8.156 8.549 -6.124 1.00 0.00 N ATOM 0 H LYS A 56 6.326 6.500 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 56 5.977 4.590 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.906 6.972 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.254 6.194 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.001 6.919 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.412 7.337 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.275 9.388 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.907 9.165 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.213 7.870 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.390 9.614 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.576 9.298 -6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.520 8.624 -5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.407 7.619 -6.517 1.00 0.00 H new ATOM 819 N PHE A 57 8.189 3.489 -4.581 1.00 0.00 N ATOM 820 CA PHE A 57 9.402 2.627 -4.703 1.00 0.00 C ATOM 821 C PHE A 57 10.663 3.500 -4.760 1.00 0.00 C ATOM 822 O PHE A 57 11.668 3.187 -4.153 1.00 0.00 O ATOM 823 CB PHE A 57 9.300 1.793 -5.982 1.00 0.00 C ATOM 824 CG PHE A 57 9.768 0.363 -5.695 1.00 0.00 C ATOM 825 CD1 PHE A 57 11.013 0.133 -5.136 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.955 -0.719 -5.991 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.434 -1.156 -4.877 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.383 -2.005 -5.730 1.00 0.00 C ATOM 829 CZ PHE A 57 10.618 -2.223 -5.173 1.00 0.00 C ATOM 0 H PHE A 57 7.502 3.390 -5.329 1.00 0.00 H new ATOM 0 HA PHE A 57 9.465 1.969 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.272 1.785 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.911 2.237 -6.768 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.659 0.966 -4.901 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.981 -0.555 -6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.407 -1.327 -4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.743 -2.843 -5.965 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.949 -3.230 -4.967 1.00 0.00 H new ATOM 839 N GLU A 58 10.579 4.581 -5.487 1.00 0.00 N ATOM 840 CA GLU A 58 11.762 5.485 -5.600 1.00 0.00 C ATOM 841 C GLU A 58 12.197 5.966 -4.211 1.00 0.00 C ATOM 842 O GLU A 58 13.321 6.390 -4.022 1.00 0.00 O ATOM 843 CB GLU A 58 11.390 6.690 -6.462 1.00 0.00 C ATOM 844 CG GLU A 58 11.418 6.280 -7.935 1.00 0.00 C ATOM 845 CD GLU A 58 10.546 5.038 -8.132 1.00 0.00 C ATOM 846 OE1 GLU A 58 9.363 5.160 -7.867 1.00 0.00 O ATOM 847 OE2 GLU A 58 11.115 4.037 -8.537 1.00 0.00 O ATOM 0 H GLU A 58 9.751 4.877 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 58 12.587 4.940 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.399 7.054 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.089 7.508 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.054 7.097 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.442 6.073 -8.247 1.00 0.00 H new ATOM 854 N ASP A 59 11.299 5.891 -3.269 1.00 0.00 N ATOM 855 CA ASP A 59 11.643 6.341 -1.887 1.00 0.00 C ATOM 856 C ASP A 59 12.067 5.143 -1.032 1.00 0.00 C ATOM 857 O ASP A 59 11.979 5.180 0.178 1.00 0.00 O ATOM 858 CB ASP A 59 10.421 7.007 -1.260 1.00 0.00 C ATOM 859 CG ASP A 59 10.128 8.319 -1.990 1.00 0.00 C ATOM 860 OD1 ASP A 59 9.894 8.234 -3.185 1.00 0.00 O ATOM 861 OD2 ASP A 59 10.156 9.334 -1.312 1.00 0.00 O ATOM 0 H ASP A 59 10.349 5.541 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 59 12.469 7.050 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.559 6.343 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.600 7.199 -0.202 1.00 0.00 H new ATOM 866 N CYS A 60 12.520 4.106 -1.684 1.00 0.00 N ATOM 867 CA CYS A 60 12.952 2.897 -0.925 1.00 0.00 C ATOM 868 C CYS A 60 14.083 3.270 0.061 1.00 0.00 C ATOM 869 O CYS A 60 14.744 4.276 -0.112 1.00 0.00 O ATOM 870 CB CYS A 60 13.461 1.857 -1.922 1.00 0.00 C ATOM 871 SG CYS A 60 12.338 0.512 -2.362 1.00 0.00 S ATOM 0 H CYS A 60 12.609 4.043 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 60 12.113 2.495 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.740 2.377 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.371 1.417 -1.515 1.00 0.00 H new